*HEADER    UBIQUITIN                               06-AUG-01   1GJZ
*TITLE     SOLUTION STRUCTURE OF A DIMERIC N-TERMINAL FRAGMENT OF
*TITLE    2 HUMAN UBIQUITIN
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: UBIQUITIN;
*COMPND   3 CHAIN: A, B;
*COMPND   4 FRAGMENT: RESIDUES 1-51;
*COMPND   5 ENGINEERED: YES;
*COMPND   6 OTHER_DETAILS: FRAGMENT CONTAINS FIRST 51 RESIDUES OF HUMAN
*COMPND   7 UBIQUITIN PRECEDED AT THE N-TERMINUS BY GLYCINE AND SERINE
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE   3 ORGANISM_COMMON: HUMAN;
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE   5 EXPRESSION_SYSTEM_STRAIN: BL21;
*SOURCE   6 EXPRESSION_SYSTEM_PLASMID: PGEX-4T3
*KEYWDS    UBIQUITIN, DIMER, PROTEIN DISSECTION
*EXPDTA    NMR, 16 STRUCTURES
*AUTHOR    D.BOLTON,P.A.EVANS,K.STOTT,R.W.BROADHURST
*REVDAT   1   13-DEC-01 1GJZ    0





 ASSI
   (( segid a and resid 3 and name HE# ))
   (( segid b and resid 25 and name HG2# ))
   5.0 5.0 0.0 volume=1.000 peak=2040 ppm1=1.960 ppm2=0.874
 OR
   (( segid b and resid 3 and name HE# ))
   (( segid a and resid 25 and name HG2# ))

 ASSI
   (( segid a and resid 3 and name HE# ))
   (( segid b and resid 45 and name HD2# ))
   5.0 5.0 0.0 volume=1.000 peak=2084 ppm1=1.959 ppm2=0.670
 OR
   (( segid b and resid 3 and name HE# ))
   (( segid a and resid 45 and name HD2# ))

 ASSI
   (( segid a and resid 5 and name HD1# ))
   (( segid b and resid 45 and name HG ))
   5.0 5.0 0.0 volume=1.000 peak=2110 ppm1=0.440 ppm2=0.839
 OR
   (( segid b and resid 5 and name HD1# ))
   (( segid a and resid 45 and name HG ))

 ASSI
   (( segid a and resid 5 and name HD1# ))
   (( segid b and resid 47 and name HD# ))
   5.0 5.0 0.0 volume=1.000 peak=2699 ppm1=0.451 ppm2=7.219
 OR
   (( segid b and resid 5 and name HD1# ))
   (( segid a and resid 47 and name HD# ))

 ASSI
   (( segid a and resid 5 and name HD1# ))
   (( segid b and resid 47 and name HE# ))
   5.0 5.0 0.0 volume=1.000 peak=2642 ppm1=0.437 ppm2=6.957
 OR
   (( segid b and resid 5 and name HD1# ))
   (( segid a and resid 47 and name HE# ))

 ASSI
   (( segid a and resid 5 and name HG2# ))
   (( segid b and resid 45 and name HD2# ))
   5.0 5.0 0.0 volume=1.000 peak=2200 ppm1=0.854 ppm2=0.666
 OR
   (( segid b and resid 5 and name HG2# ))
   (( segid a and resid 45 and name HD2# ))

 ASSI
   (( segid a and resid 6 and name HB2 ))
   (( segid b and resid 46 and name HD1# ))
   5.0 5.0 0.0 volume=1.000 peak=2859 ppm1=3.019 ppm2=0.690
 OR
   (( segid b and resid 6 and name HB2 ))
   (( segid a and resid 46 and name HD1# ))

 ASSI
   (( segid a and resid 19 and name HG2# ))
   (( segid b and resid 25 and name HD1# ))
   5.0 5.0 0.0 volume=1.000 peak=2237 ppm1=0.564 ppm2=0.836
 OR
   (( segid b and resid 19 and name HG2# ))
   (( segid a and resid 25 and name HD1# ))

 ASSI
   (( segid a and resid 21 and name HB1 ))
   (( segid b and resid 25 and name HD1# ))
   5.0 5.0 0.0 volume=1.000 peak=2548 ppm1=2.051 ppm2=0.837
 OR
   (( segid b and resid 21 and name HB1 ))
   (( segid a and resid 25 and name HD1# ))

 ASSI
   (( segid a and resid 21 and name HB2 ))
   (( segid b and resid 26 and name HB1 ))
   5.0 5.0 0.0 volume=1.000 peak=2365 ppm1=2.313 ppm2=2.002
 OR
   (( segid b and resid 21 and name HB2 ))
   (( segid a and resid 26 and name HB1 ))

 ASSI
   (( segid a and resid 24 and name HG2# ))
   (( segid b and resid 22 and name HA ))
   5.0 5.0 0.0 volume=1.000 peak=2186 ppm1=1.216 ppm2=4.355
 OR
   (( segid b and resid 24 and name HG2# ))
   (( segid a and resid 22 and name HA ))

 ASSI
   (( segid a and resid 24 and name HG2# ))
   (( segid b and resid 24 and name HG2# ))
   5.0 5.0 0.0 volume=1.000 peak=2271 ppm1=1.221 ppm2=1.223
 OR
   (( segid b and resid 24 and name HG2# ))
   (( segid a and resid 24 and name HG2# ))

 ASSI
   (( segid a and resid 25 and name HD1# ))
   (( segid b and resid 19 and name HG2# ))
   5.0 5.0 0.0 volume=1.000 peak=2639 ppm1=0.822 ppm2=0.578
 OR
   (( segid b and resid 25 and name HD1# ))
   (( segid a and resid 19 and name HG2# ))

 ASSI
   (( segid a and resid 25 and name HD1# ))
   (( segid b and resid 25 and name HD1# ))
   5.0 5.0 0.0 volume=1.000 peak=2846 ppm1=0.827 ppm2=0.836
 OR
   (( segid b and resid 25 and name HD1# ))
   (( segid a and resid 25 and name HD1# ))

 ASSI
   (( segid a and resid 25 and name HD1# ))
   (( segid b and resid 28 and name HG1# ))
   5.0 5.0 0.0 volume=1.000 peak=2852 ppm1=0.829 ppm2=1.053
 OR
   (( segid b and resid 25 and name HD1# ))
   (( segid a and resid 28 and name HG1# ))

 ASSI
   (( segid a and resid 25 and name HG2# ))
   (( segid b and resid 3 and name HE# ))
   5.0 5.0 0.0 volume=1.000 peak=2247 ppm1=0.906 ppm2=1.966
 OR
   (( segid b and resid 25 and name HG2# ))
   (( segid a and resid 3 and name HE# ))

 ASSI
   (( segid a and resid 25 and name HG2# ))
   (( segid b and resid 47 and name HE# ))
   5.0 5.0 0.0 volume=1.000 peak=2239 ppm1=0.906 ppm2=6.925
 OR
   (( segid b and resid 25 and name HG2# ))
   (( segid a and resid 47 and name HE# ))

 ASSI
   (( segid a and resid 26 and name HB1 ))
   (( segid b and resid 21 and name HG1 ))
   5.0 5.0 0.0 volume=1.000 peak=2798 ppm1=1.997 ppm2=2.154
 OR
   (( segid b and resid 26 and name HB1 ))
   (( segid a and resid 21 and name HG1 ))

 ASSI
   (( segid a and resid 26 and name HB2 ))
   (( segid b and resid 21 and name HG1 ))
   5.0 5.0 0.0 volume=1.000 peak=2812 ppm1=1.857 ppm2=2.153
 OR
   (( segid b and resid 26 and name HB2 ))
   (( segid a and resid 21 and name HG1 ))

 ASSI
   (( segid a and resid 28 and name HG1# ))
   (( segid b and resid 25 and name HD1# ))
   5.0 5.0 0.0 volume=1.000 peak=2327 ppm1=1.045 ppm2=0.837
 OR
   (( segid b and resid 28 and name HG1# ))
   (( segid a and resid 25 and name HD1# ))

 ASSI
   (( segid a and resid 28 and name HG1# ))
   (( segid b and resid 45 and name HD2# ))
   5.0 5.0 0.0 volume=1.000 peak=2315 ppm1=1.046 ppm2=0.682
 OR
   (( segid b and resid 28 and name HG1# ))
   (( segid a and resid 45 and name HD2# ))

 ASSI
   (( segid a and resid 28 and name HG2# ))
   (( segid b and resid 47 and name HE# ))
   5.0 5.0 0.0 volume=1.000 peak=2903 ppm1=0.506 ppm2=6.958
 OR
   (( segid b and resid 28 and name HG2# ))
   (( segid a and resid 47 and name HE# ))

 ASSI
   (( segid a and resid 28 and name HG2# ))
   (( segid b and resid 47 and name HZ ))
   5.0 5.0 0.0 volume=1.000 peak=2894 ppm1=0.506 ppm2=6.883
 OR
   (( segid b and resid 28 and name HG2# ))
   (( segid a and resid 47 and name HZ ))

 ASSI
   (( segid a and resid 32 and name HD1# ))
   (( segid b and resid 47 and name HD# ))
   5.0 5.0 0.0 volume=1.000 peak=2886 ppm1=-0.036 ppm2=7.220
 OR
   (( segid b and resid 32 and name HD1# ))
   (( segid a and resid 47 and name HD# ))

 ASSI
   (( segid a and resid 44 and name HB# ))
   (( segid b and resid 48 and name HB# ))
   5.0 5.0 0.0 volume=1.000 peak=2496 ppm1=1.650 ppm2=1.274
 OR
   (( segid b and resid 44 and name HB# ))
   (( segid a and resid 48 and name HB# ))

 ASSI
   (( segid a and resid 45 and name HD2# ))
   (( segid b and resid 5 and name HG2# ))
   5.0 5.0 0.0 volume=1.000 peak=2722 ppm1=0.656 ppm2=0.879
 OR
   (( segid b and resid 45 and name HD2# ))
   (( segid a and resid 5 and name HG2# ))

 ASSI
   (( segid a and resid 46 and name HD1# ))
   (( segid b and resid 46 and name HB ))
   5.0 5.0 0.0 volume=1.000 peak=3037 ppm1=0.662 ppm2=1.667
 OR
   (( segid b and resid 46 and name HD1# ))
   (( segid a and resid 46 and name HB ))

 ASSI
   (( segid a and resid 46 and name HD1# ))
   (( segid b and resid 46 and name HG2# ))
   5.0 5.0 0.0 volume=1.000 peak=3052 ppm1=0.661 ppm2=0.730
 OR
   (( segid b and resid 46 and name HD1# ))
   (( segid a and resid 46 and name HG2# ))

 ASSI
   (( segid a and resid 46 and name HD1# ))
   (( segid b and resid 48 and name HB# ))
   5.0 5.0 0.0 volume=1.000 peak=2959 ppm1=0.663 ppm2=1.276
 OR
   (( segid b and resid 46 and name HD1# ))
   (( segid a and resid 48 and name HB# ))

 ASSI
   (( segid a and resid 46 and name HG2# ))
   (( segid b and resid 44 and name HB# ))
   5.0 5.0 0.0 volume=1.000 peak=2267 ppm1=0.750 ppm2=1.651
 OR
   (( segid b and resid 46 and name HG2# ))
   (( segid a and resid 44 and name HB# ))

 ASSI
   (( segid a and resid 46 and name HG2# ))
   (( segid b and resid 46 and name HG12 ))
   5.0 5.0 0.0 volume=1.000 peak=2269 ppm1=0.755 ppm2=1.361
 OR
   (( segid b and resid 46 and name HG2# ))
   (( segid a and resid 46 and name HG12 ))

 ASSI
   (( segid a and resid 46 and name HG2# ))
   (( segid b and resid 46 and name HG2# ))
   5.0 5.0 0.0 volume=1.000 peak=2329 ppm1=0.747 ppm2=0.728
 OR
   (( segid b and resid 46 and name HG2# ))
   (( segid a and resid 46 and name HG2# ))

 ASSI
   (( segid a and resid 47 and name HE# ))
   (( segid b and resid 5 and name HD1# ))
   5.0 5.0 0.0 volume=1.000 peak=2363 ppm1=6.937 ppm2=0.489
 OR
   (( segid b and resid 47 and name HE# ))
   (( segid a and resid 5 and name HD1# ))

 ASSI
   (( segid a and resid 47 and name HE# ))
   (( segid b and resid 25 and name HD1# ))
   5.0 5.0 0.0 volume=1.000 peak=2364 ppm1=6.945 ppm2=0.845
 OR
   (( segid b and resid 47 and name HE# ))
   (( segid a and resid 25 and name HD1# ))

 ASSI
   (( segid a and resid 48 and name HB# ))
   (( segid b and resid 8 and name HB1 ))
   5.0 5.0 0.0 volume=1.000 peak=2951 ppm1=1.272 ppm2=1.877
 OR
   (( segid b and resid 48 and name HB# ))
   (( segid a and resid 8 and name HB1 ))

 ASSI
   (( segid a and resid 48 and name HB# ))
   (( segid b and resid 8 and name HD# ))
   5.0 5.0 0.0 volume=1.000 peak=2150 ppm1=1.284 ppm2=1.618
 OR
   (( segid b and resid 48 and name HB# ))
   (( segid a and resid 8 and name HD# ))

 ASSI
   (( segid a and resid 48 and name HB# ))
   (( segid b and resid 46 and name HD1# ))
   5.0 5.0 0.0 volume=1.000 peak=2137 ppm1=1.288 ppm2=0.665
 OR
   (( segid b and resid 48 and name HB# ))
   (( segid a and resid 46 and name HD1# ))
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY  -1           H1       GLY  -1   5.543  -2.717 -13.721
    2    H2   GLY  -1           H2       GLY  -1   6.640  -2.305 -14.940
    3    H3   GLY  -1           H3       GLY  -1   5.905  -1.092 -14.018
    4   1HA   GLY  -1          1HA       GLY  -1   5.006  -2.273 -16.409
    5   2HA   GLY  -1          2HA       GLY  -1   4.307  -0.929 -15.518
    6    H    SER   0           H        SER   0   4.702  -4.335 -14.594
    7    HA   SER   0           HA       SER   0   2.048  -5.121 -15.049
    8   1HB   SER   0          1HB       SER   0   4.044  -6.219 -13.053
    9   2HB   SER   0          2HB       SER   0   2.563  -7.029 -13.563
   10    HG   SER   0           HG       SER   0   3.592  -6.631 -15.788
   11    H    MET   1           H        MET   1   3.639  -3.900 -12.125
   12    HA   MET   1           HA       MET   1   1.237  -2.722 -11.161
   13   1HB   MET   1          1HB       MET   1   0.727  -5.035 -10.574
   14   2HB   MET   1          2HB       MET   1   2.261  -5.183  -9.733
   15   1HG   MET   1          1HG       MET   1   0.398  -4.896  -8.191
   16   2HG   MET   1          2HG       MET   1   1.550  -3.570  -8.079
   17   1HE   MET   1          1HE       MET   1  -0.420  -3.089  -6.618
   18   2HE   MET   1          2HE       MET   1  -0.743  -1.422  -7.096
   19   3HE   MET   1          3HE       MET   1  -2.035  -2.623  -7.155
   20    H    GLN   2           H        GLN   2   3.510  -1.463 -11.663
   21    HA   GLN   2           HA       GLN   2   5.440  -1.379  -9.633
   22   1HB   GLN   2          1HB       GLN   2   6.018   0.849 -10.565
   23   2HB   GLN   2          2HB       GLN   2   5.889  -0.403 -11.790
   24   1HG   GLN   2          1HG       GLN   2   3.641   0.403 -12.354
   25   2HG   GLN   2          2HG       GLN   2   3.813   1.680 -11.153
   26   1HE2  GLN   2          2HE2      GLN   2   4.290   3.561 -12.002
   27   2HE2  GLN   2          1HE2      GLN   2   5.260   3.836 -13.403
   28    H    ILE   3           H        ILE   3   5.040  -1.008  -7.597
   29    HA   ILE   3           HA       ILE   3   2.826   0.475  -6.612
   30    HB   ILE   3           HB       ILE   3   3.876   0.125  -4.398
   31   1HG1  ILE   3          1HG1      ILE   3   6.074  -1.228  -5.968
   32   2HG1  ILE   3          2HG1      ILE   3   6.228   0.317  -5.144
   33   1HG2  ILE   3          1HG2      ILE   3   2.461  -1.597  -5.585
   34   2HG2  ILE   3          2HG2      ILE   3   3.967  -2.417  -5.993
   35   3HG2  ILE   3          3HG2      ILE   3   3.510  -2.205  -4.304
   36   1HD1  ILE   3          1HD1      ILE   3   5.271  -1.536  -3.251
   37   2HD1  ILE   3          2HD1      ILE   3   6.602  -2.304  -4.117
   38   3HD1  ILE   3          3HD1      ILE   3   6.849  -0.752  -3.318
   39    H    PHE   4           H        PHE   4   2.801   2.471  -5.577
   40    HA   PHE   4           HA       PHE   4   4.900   4.300  -6.412
   41   1HB   PHE   4          1HB       PHE   4   2.244   4.772  -5.039
   42   2HB   PHE   4          2HB       PHE   4   3.372   6.051  -5.464
   43    HD1  PHE   4           HD1      PHE   4   2.638   7.278  -7.240
   44    HD2  PHE   4           HD2      PHE   4   2.009   3.069  -7.264
   45    HE1  PHE   4           HE1      PHE   4   1.615   7.448  -9.471
   46    HE2  PHE   4           HE2      PHE   4   0.988   3.230  -9.496
   47    HZ   PHE   4           HZ       PHE   4   0.790   5.422 -10.603
   48    H    VAL   5           H        VAL   5   6.443   5.075  -5.101
   49    HA   VAL   5           HA       VAL   5   6.111   4.895  -2.202
   50    HB   VAL   5           HB       VAL   5   8.484   3.713  -3.655
   51   1HG1  VAL   5          1HG1      VAL   5   5.975   2.573  -2.871
   52   2HG1  VAL   5          2HG1      VAL   5   7.326   1.821  -3.719
   53   3HG1  VAL   5          3HG1      VAL   5   7.285   1.826  -1.956
   54   1HG2  VAL   5          1HG2      VAL   5   8.037   4.515  -0.865
   55   2HG2  VAL   5          2HG2      VAL   5   8.711   2.900  -1.082
   56   3HG2  VAL   5          3HG2      VAL   5   9.541   4.300  -1.761
   57    H    LYS   6           H        LYS   6   7.486   6.272  -1.017
   58    HA   LYS   6           HA       LYS   6   8.880   8.297  -2.639
   59   1HB   LYS   6          1HB       LYS   6   6.824   9.197  -1.643
   60   2HB   LYS   6          2HB       LYS   6   7.372   8.700  -0.048
   61   1HG   LYS   6          1HG       LYS   6   9.253  10.245  -0.204
   62   2HG   LYS   6          2HG       LYS   6   8.717  10.738  -1.811
   63   1HD   LYS   6          1HD       LYS   6   7.125  11.049   0.733
   64   2HD   LYS   6          2HD       LYS   6   8.029  12.334  -0.070
   65   1HE   LYS   6          1HE       LYS   6   6.624  12.081  -2.055
   66   2HE   LYS   6          2HE       LYS   6   5.724  10.794  -1.257
   67   1HZ   LYS   6          1HZ       LYS   6   5.808  13.138   0.348
   68   2HZ   LYS   6          2HZ       LYS   6   5.169  13.483  -1.179
   69   3HZ   LYS   6          3HZ       LYS   6   4.468  12.278  -0.220
   70    H    THR   7           H        THR   7  10.995   8.256  -2.330
   71    HA   THR   7           HA       THR   7  12.227   6.783  -0.244
   72    HB   THR   7           HB       THR   7  14.352   7.698  -1.089
   73    HG1  THR   7           HG1      THR   7  13.571   9.801  -1.645
   74   1HG2  THR   7          1HG2      THR   7  12.466   6.147  -2.541
   75   2HG2  THR   7          2HG2      THR   7  13.327   7.171  -3.690
   76   3HG2  THR   7          3HG2      THR   7  14.226   6.091  -2.624
   77    H    LEU   8           H        LEU   8  13.585   7.544   1.438
   78    HA   LEU   8           HA       LEU   8  12.527   9.465   3.096
   79   1HB   LEU   8          1HB       LEU   8  15.459   8.788   2.972
   80   2HB   LEU   8          2HB       LEU   8  14.565   9.367   4.363
   81    HG   LEU   8           HG       LEU   8  14.444   6.639   3.093
   82   1HD1  LEU   8          1HD1      LEU   8  16.241   7.102   4.717
   83   2HD1  LEU   8          2HD1      LEU   8  15.015   7.520   5.914
   84   3HD1  LEU   8          3HD1      LEU   8  15.104   5.877   5.280
   85   1HD2  LEU   8          1HD2      LEU   8  12.444   8.030   4.769
   86   2HD2  LEU   8          2HD2      LEU   8  12.232   6.775   3.547
   87   3HD2  LEU   8          3HD2      LEU   8  12.807   6.350   5.159
   88    H    THR   9           H        THR   9  14.972   9.834   0.588
   89    HA   THR   9           HA       THR   9  15.710  12.491   1.212
   90    HB   THR   9           HB       THR   9  16.658  12.579  -1.058
   91    HG1  THR   9           HG1      THR   9  16.427  10.585  -2.324
   92   1HG2  THR   9          1HG2      THR   9  17.808  11.381   0.844
   93   2HG2  THR   9          2HG2      THR   9  17.202   9.874   0.155
   94   3HG2  THR   9          3HG2      THR   9  18.307  10.887  -0.775
   95    H    GLY  10           H        GLY  10  13.337  11.144  -1.077
   96   1HA   GLY  10          1HA       GLY  10  12.410  13.868  -1.657
   97   2HA   GLY  10          2HA       GLY  10  11.275  12.748  -0.927
   98    H    LYS  11           H        LYS  11  13.708  12.058  -3.406
   99    HA   LYS  11           HA       LYS  11  12.169  12.265  -5.681
  100   1HB   LYS  11          1HB       LYS  11  13.738  10.796  -6.760
  101   2HB   LYS  11          2HB       LYS  11  14.615  11.809  -5.625
  102   1HG   LYS  11          1HG       LYS  11  14.763  10.006  -4.044
  103   2HG   LYS  11          2HG       LYS  11  13.741   8.987  -5.058
  104   1HD   LYS  11          1HD       LYS  11  15.455   9.110  -6.837
  105   2HD   LYS  11          2HD       LYS  11  16.487  10.021  -5.734
  106   1HE   LYS  11          1HE       LYS  11  17.152   7.705  -5.713
  107   2HE   LYS  11          2HE       LYS  11  16.427   8.118  -4.161
  108   1HZ   LYS  11          1HZ       LYS  11  15.026   6.726  -6.379
  109   2HZ   LYS  11          2HZ       LYS  11  15.660   5.972  -5.004
  110   3HZ   LYS  11          3HZ       LYS  11  14.382   7.070  -4.852
  111    H    THR  12           H        THR  12  10.746  11.011  -6.776
  112    HA   THR  12           HA       THR  12   9.269   9.050  -5.307
  113    HB   THR  12           HB       THR  12   9.065   9.769  -8.238
  114    HG1  THR  12           HG1      THR  12   7.758  11.372  -7.623
  115   1HG2  THR  12          1HG2      THR  12   7.866   7.686  -6.801
  116   2HG2  THR  12          2HG2      THR  12   6.623   8.925  -6.966
  117   3HG2  THR  12          3HG2      THR  12   7.417   8.276  -8.401
  118    H    ILE  13           H        ILE  13   9.050   6.839  -5.752
  119    HA   ILE  13           HA       ILE  13  11.056   5.671  -7.552
  120    HB   ILE  13           HB       ILE  13  12.126   5.403  -5.490
  121   1HG1  ILE  13          1HG1      ILE  13  10.541   2.912  -6.117
  122   2HG1  ILE  13          2HG1      ILE  13  12.159   3.323  -6.681
  123   1HG2  ILE  13          1HG2      ILE  13   9.570   5.650  -4.407
  124   2HG2  ILE  13          2HG2      ILE  13  10.141   4.062  -3.893
  125   3HG2  ILE  13          3HG2      ILE  13  11.092   5.505  -3.528
  126   1HD1  ILE  13          1HD1      ILE  13  11.437   2.799  -3.808
  127   2HD1  ILE  13          2HD1      ILE  13  12.126   1.604  -4.909
  128   3HD1  ILE  13          3HD1      ILE  13  13.054   3.038  -4.473
  129    H    THR  14           H        THR  14  10.378   4.046  -8.753
  130    HA   THR  14           HA       THR  14   7.679   2.974  -8.276
  131    HB   THR  14           HB       THR  14   8.101   2.141 -10.754
  132    HG1  THR  14           HG1      THR  14   9.303   4.537 -11.248
  133   1HG2  THR  14          1HG2      THR  14   6.650   4.189  -9.559
  134   2HG2  THR  14          2HG2      THR  14   7.471   4.961 -10.920
  135   3HG2  THR  14          3HG2      THR  14   6.439   3.556 -11.193
  136    H    LEU  15           H        LEU  15   7.321   0.767  -8.315
  137    HA   LEU  15           HA       LEU  15   9.531  -1.056  -8.741
  138   1HB   LEU  15          1HB       LEU  15   9.893  -0.254  -6.457
  139   2HB   LEU  15          2HB       LEU  15   8.254  -0.678  -6.024
  140    HG   LEU  15           HG       LEU  15  10.390  -2.670  -6.799
  141   1HD1  LEU  15          1HD1      LEU  15   9.331  -1.860  -4.095
  142   2HD1  LEU  15          2HD1      LEU  15  10.412  -3.221  -4.400
  143   3HD1  LEU  15          3HD1      LEU  15  10.958  -1.574  -4.713
  144   1HD2  LEU  15          1HD2      LEU  15   7.546  -2.917  -5.908
  145   2HD2  LEU  15          2HD2      LEU  15   8.373  -3.720  -7.244
  146   3HD2  LEU  15          3HD2      LEU  15   8.716  -4.197  -5.580
  147    H    GLU  16           H        GLU  16   8.586  -2.565  -9.974
  148    HA   GLU  16           HA       GLU  16   5.766  -3.092  -9.817
  149   1HB   GLU  16          1HB       GLU  16   6.163  -4.627 -11.685
  150   2HB   GLU  16          2HB       GLU  16   6.876  -3.049 -11.982
  151   1HG   GLU  16          1HG       GLU  16   9.071  -3.929 -11.348
  152   2HG   GLU  16          2HG       GLU  16   8.349  -5.514 -11.082
  153    H    VAL  17           H        VAL  17   4.736  -4.799  -8.993
  154    HA   VAL  17           HA       VAL  17   6.074  -7.220  -8.198
  155    HB   VAL  17           HB       VAL  17   5.107  -7.020  -5.816
  156   1HG1  VAL  17          1HG1      VAL  17   7.562  -5.546  -6.731
  157   2HG1  VAL  17          2HG1      VAL  17   7.177  -5.811  -5.031
  158   3HG1  VAL  17          3HG1      VAL  17   7.449  -7.188  -6.100
  159   1HG2  VAL  17          1HG2      VAL  17   4.556  -4.397  -6.855
  160   2HG2  VAL  17          2HG2      VAL  17   4.046  -5.132  -5.335
  161   3HG2  VAL  17          3HG2      VAL  17   5.598  -4.299  -5.434
  162    H    GLU  18           H        GLU  18   4.656  -8.917  -7.938
  163    HA   GLU  18           HA       GLU  18   2.153  -8.697  -9.187
  164   1HB   GLU  18          1HB       GLU  18   3.126 -10.904  -7.368
  165   2HB   GLU  18          2HB       GLU  18   1.824 -11.021  -8.542
  166   1HG   GLU  18          1HG       GLU  18   3.412 -10.638 -10.351
  167   2HG   GLU  18          2HG       GLU  18   4.719 -10.507  -9.175
  168    HA   PRO  19           HA       PRO  19  -0.462  -7.077  -5.993
  169   1HB   PRO  19          1HB       PRO  19  -2.770  -8.388  -6.845
  170   2HB   PRO  19          2HB       PRO  19  -2.213  -6.817  -7.416
  171   1HG   PRO  19          1HG       PRO  19  -1.908  -9.502  -8.665
  172   2HG   PRO  19          2HG       PRO  19  -2.184  -7.930  -9.434
  173   1HD   PRO  19          1HD       PRO  19   0.230  -9.092  -9.451
  174   2HD   PRO  19          2HD       PRO  19   0.055  -7.332  -9.302
  175    H    SER  20           H        SER  20  -0.639 -10.487  -6.875
  176    HA   SER  20           HA       SER  20  -1.903 -11.401  -4.534
  177   1HB   SER  20          1HB       SER  20  -1.830 -12.712  -6.597
  178   2HB   SER  20          2HB       SER  20  -0.081 -12.870  -6.451
  179    HG   SER  20           HG       SER  20  -0.357 -14.426  -5.067
  180    H    ASP  21           H        ASP  21   1.438 -10.744  -5.325
  181    HA   ASP  21           HA       ASP  21   2.767 -12.163  -3.364
  182   1HB   ASP  21          1HB       ASP  21   3.370  -9.440  -4.533
  183   2HB   ASP  21          2HB       ASP  21   4.479 -10.311  -3.481
  184    H    THR  22           H        THR  22   3.089 -11.965  -1.226
  185    HA   THR  22           HA       THR  22   1.271 -10.620   0.385
  186    HB   THR  22           HB       THR  22   2.775 -11.128   2.274
  187    HG1  THR  22           HG1      THR  22   4.628 -12.565   0.995
  188   1HG2  THR  22          1HG2      THR  22   1.270 -12.845   1.197
  189   2HG2  THR  22          2HG2      THR  22   2.698 -13.448   0.353
  190   3HG2  THR  22          3HG2      THR  22   2.629 -13.494   2.116
  191    H    ILE  23           H        ILE  23   1.314  -8.769   1.593
  192    HA   ILE  23           HA       ILE  23   2.547  -6.506   0.533
  193    HB   ILE  23           HB       ILE  23   1.491  -6.892   3.337
  194   1HG1  ILE  23          1HG1      ILE  23   0.171  -5.808   0.838
  195   2HG1  ILE  23          2HG1      ILE  23  -0.190  -7.348   1.611
  196   1HG2  ILE  23          1HG2      ILE  23   3.018  -4.942   3.038
  197   2HG2  ILE  23          2HG2      ILE  23   1.894  -4.315   1.832
  198   3HG2  ILE  23          3HG2      ILE  23   1.374  -4.510   3.505
  199   1HD1  ILE  23          1HD1      ILE  23  -0.438  -4.949   3.304
  200   2HD1  ILE  23          2HD1      ILE  23  -1.620  -5.132   2.008
  201   3HD1  ILE  23          3HD1      ILE  23  -1.442  -6.397   3.223
  202    H    GLU  24           H        GLU  24   3.467  -8.493   3.328
  203    HA   GLU  24           HA       GLU  24   5.607  -6.956   4.237
  204   1HB   GLU  24          1HB       GLU  24   6.450  -9.062   5.244
  205   2HB   GLU  24          2HB       GLU  24   4.744  -8.784   5.559
  206   1HG   GLU  24          1HG       GLU  24   4.152 -10.365   3.802
  207   2HG   GLU  24          2HG       GLU  24   5.861 -10.634   3.463
  208    H    ASN  25           H        ASN  25   5.494  -9.471   1.755
  209    HA   ASN  25           HA       ASN  25   8.273  -9.548   1.245
  210   1HB   ASN  25          1HB       ASN  25   6.802 -11.352   0.524
  211   2HB   ASN  25          2HB       ASN  25   5.936 -10.254  -0.544
  212   1HD2  ASN  25          2HD2      ASN  25   6.431 -10.564  -2.572
  213   2HD2  ASN  25          1HD2      ASN  25   7.988 -10.977  -3.197
  214    H    VAL  26           H        VAL  26   5.615  -7.713  -0.207
  215    HA   VAL  26           HA       VAL  26   7.048  -6.494  -2.279
  216    HB   VAL  26           HB       VAL  26   4.722  -5.337  -0.731
  217   1HG1  VAL  26          1HG1      VAL  26   6.037  -3.765  -2.193
  218   2HG1  VAL  26          2HG1      VAL  26   5.541  -4.755  -3.563
  219   3HG1  VAL  26          3HG1      VAL  26   4.327  -3.926  -2.590
  220   1HG2  VAL  26          1HG2      VAL  26   4.811  -7.656  -2.269
  221   2HG2  VAL  26          2HG2      VAL  26   3.374  -6.776  -1.750
  222   3HG2  VAL  26          3HG2      VAL  26   4.099  -6.432  -3.319
  223    H    LYS  27           H        LYS  27   6.371  -5.324   1.014
  224    HA   LYS  27           HA       LYS  27   7.788  -2.906   0.797
  225   1HB   LYS  27          1HB       LYS  27   6.991  -4.604   3.150
  226   2HB   LYS  27          2HB       LYS  27   7.897  -3.114   3.355
  227   1HG   LYS  27          1HG       LYS  27   6.103  -1.846   2.337
  228   2HG   LYS  27          2HG       LYS  27   5.199  -3.329   2.030
  229   1HD   LYS  27          1HD       LYS  27   4.920  -3.728   4.369
  230   2HD   LYS  27          2HD       LYS  27   6.044  -2.431   4.780
  231   1HE   LYS  27          1HE       LYS  27   3.683  -1.797   5.110
  232   2HE   LYS  27          2HE       LYS  27   4.514  -0.774   3.941
  233   1HZ   LYS  27          1HZ       LYS  27   3.365  -2.904   2.553
  234   2HZ   LYS  27          2HZ       LYS  27   2.180  -2.275   3.582
  235   3HZ   LYS  27          3HZ       LYS  27   2.961  -1.264   2.473
  236    H    ALA  28           H        ALA  28   8.773  -6.139   1.802
  237    HA   ALA  28           HA       ALA  28  11.300  -5.570   2.807
  238   1HB   ALA  28          1HB       ALA  28  11.273  -8.049   1.311
  239   2HB   ALA  28          2HB       ALA  28  11.423  -7.777   3.047
  240   3HB   ALA  28          3HB       ALA  28   9.826  -7.859   2.302
  241    H    LYS  29           H        LYS  29  10.231  -5.940  -0.524
  242    HA   LYS  29           HA       LYS  29  12.796  -6.051  -1.707
  243   1HB   LYS  29          1HB       LYS  29  10.779  -6.747  -2.911
  244   2HB   LYS  29          2HB       LYS  29  10.157  -5.103  -2.855
  245   1HG   LYS  29          1HG       LYS  29  11.919  -4.328  -4.290
  246   2HG   LYS  29          2HG       LYS  29  12.697  -5.913  -4.253
  247   1HD   LYS  29          1HD       LYS  29   9.959  -5.331  -5.380
  248   2HD   LYS  29          2HD       LYS  29  11.428  -5.553  -6.328
  249   1HE   LYS  29          1HE       LYS  29  10.150  -7.607  -4.527
  250   2HE   LYS  29          2HE       LYS  29  10.091  -7.593  -6.289
  251   1HZ   LYS  29          1HZ       LYS  29  12.532  -7.787  -6.291
  252   2HZ   LYS  29          2HZ       LYS  29  12.513  -7.927  -4.605
  253   3HZ   LYS  29          3HZ       LYS  29  11.774  -9.112  -5.559
  254    H    ILE  30           H        ILE  30  10.667  -3.422  -0.757
  255    HA   ILE  30           HA       ILE  30  11.955  -1.297  -2.022
  256    HB   ILE  30           HB       ILE  30  10.714  -1.208   0.733
  257   1HG1  ILE  30          1HG1      ILE  30   9.406  -0.835  -1.973
  258   2HG1  ILE  30          2HG1      ILE  30   9.188  -2.231  -0.921
  259   1HG2  ILE  30          1HG2      ILE  30  12.120   0.745  -0.236
  260   2HG2  ILE  30          2HG2      ILE  30  10.717   1.018  -1.270
  261   3HG2  ILE  30          3HG2      ILE  30  10.549   1.092   0.485
  262   1HD1  ILE  30          1HD1      ILE  30   8.581   0.016   0.637
  263   2HD1  ILE  30          2HD1      ILE  30   7.803   0.266  -0.927
  264   3HD1  ILE  30          3HD1      ILE  30   7.471  -1.198   0.000
  265    H    GLN  31           H        GLN  31  12.787  -3.159   0.811
  266    HA   GLN  31           HA       GLN  31  14.754  -1.481   1.931
  267   1HB   GLN  31          1HB       GLN  31  14.697  -4.510   1.878
  268   2HB   GLN  31          2HB       GLN  31  15.613  -3.509   2.995
  269   1HG   GLN  31          1HG       GLN  31  13.590  -2.705   4.010
  270   2HG   GLN  31          2HG       GLN  31  12.613  -3.564   2.822
  271   1HE2  GLN  31          2HE2      GLN  31  13.959  -3.692   5.849
  272   2HE2  GLN  31          1HE2      GLN  31  13.795  -5.383   6.155
  273    H    ASP  32           H        ASP  32  14.958  -4.207  -0.309
  274    HA   ASP  32           HA       ASP  32  17.691  -4.032  -0.865
  275   1HB   ASP  32          1HB       ASP  32  16.302  -5.983  -1.472
  276   2HB   ASP  32          2HB       ASP  32  15.470  -5.003  -2.676
  277    H    LYS  33           H        LYS  33  14.900  -2.407  -2.127
  278    HA   LYS  33           HA       LYS  33  16.081  -1.163  -4.361
  279   1HB   LYS  33          1HB       LYS  33  13.635  -0.568  -2.709
  280   2HB   LYS  33          2HB       LYS  33  14.094   0.433  -4.084
  281   1HG   LYS  33          1HG       LYS  33  13.518  -2.521  -4.184
  282   2HG   LYS  33          2HG       LYS  33  12.406  -1.239  -4.667
  283   1HD   LYS  33          1HD       LYS  33  13.987  -0.516  -6.390
  284   2HD   LYS  33          2HD       LYS  33  15.099  -1.798  -5.908
  285   1HE   LYS  33          1HE       LYS  33  12.311  -2.194  -6.987
  286   2HE   LYS  33          2HE       LYS  33  13.807  -2.420  -7.892
  287   1HZ   LYS  33          1HZ       LYS  33  13.484  -3.901  -5.390
  288   2HZ   LYS  33          2HZ       LYS  33  12.591  -4.418  -6.732
  289   3HZ   LYS  33          3HZ       LYS  33  14.279  -4.348  -6.814
  290    H    GLU  34           H        GLU  34  15.904  -0.297  -0.962
  291    HA   GLU  34           HA       GLU  34  17.801   1.870  -1.480
  292   1HB   GLU  34          1HB       GLU  34  15.283   2.199   0.160
  293   2HB   GLU  34          2HB       GLU  34  16.576   3.382   0.048
  294   1HG   GLU  34          1HG       GLU  34  14.894   2.430  -2.256
  295   2HG   GLU  34          2HG       GLU  34  14.657   3.934  -1.371
  296    H    GLY  35           H        GLY  35  15.957   0.744   1.368
  297   1HA   GLY  35          1HA       GLY  35  18.499   0.555   2.821
  298   2HA   GLY  35          2HA       GLY  35  17.486  -0.876   2.735
  299    H    ILE  36           H        ILE  36  15.003  -0.060   3.192
  300    HA   ILE  36           HA       ILE  36  15.157   1.048   5.891
  301    HB   ILE  36           HB       ILE  36  12.763   2.037   5.100
  302   1HG1  ILE  36          1HG1      ILE  36  13.132   3.230   2.952
  303   2HG1  ILE  36          2HG1      ILE  36  14.637   2.344   2.739
  304   1HG2  ILE  36          1HG2      ILE  36  15.398   3.064   5.677
  305   2HG2  ILE  36          2HG2      ILE  36  14.520   4.118   4.567
  306   3HG2  ILE  36          3HG2      ILE  36  13.814   3.695   6.128
  307   1HD1  ILE  36          1HD1      ILE  36  13.217   0.238   2.841
  308   2HD1  ILE  36          2HD1      ILE  36  11.832   1.309   2.631
  309   3HD1  ILE  36          3HD1      ILE  36  13.089   1.242   1.396
  310    HA   PRO  37           HA       PRO  37  12.917  -2.623   7.043
  311   1HB   PRO  37          1HB       PRO  37  11.756  -0.602   8.925
  312   2HB   PRO  37          2HB       PRO  37  12.312  -2.247   9.258
  313   1HG   PRO  37          1HG       PRO  37  13.841  -0.170   9.877
  314   2HG   PRO  37          2HG       PRO  37  14.559  -1.634   9.181
  315   1HD   PRO  37          1HD       PRO  37  14.078   1.017   7.931
  316   2HD   PRO  37          2HD       PRO  37  15.342  -0.178   7.593
  317    HA   PRO  38           HA       PRO  38   9.117  -2.188   4.773
  318   1HB   PRO  38          1HB       PRO  38   7.772  -4.285   6.007
  319   2HB   PRO  38          2HB       PRO  38   8.840  -4.431   4.610
  320   1HG   PRO  38          1HG       PRO  38   9.388  -4.971   7.485
  321   2HG   PRO  38          2HG       PRO  38   9.998  -5.804   6.045
  322   1HD   PRO  38          1HD       PRO  38  11.512  -4.082   7.459
  323   2HD   PRO  38          2HD       PRO  38  11.670  -4.256   5.700
  324    H    ASP  39           H        ASP  39   9.041  -2.549   8.293
  325    HA   ASP  39           HA       ASP  39   6.388  -1.783   8.724
  326   1HB   ASP  39          1HB       ASP  39   8.796  -1.376  10.510
  327   2HB   ASP  39          2HB       ASP  39   7.117  -1.241  11.025
  328    H    GLN  40           H        GLN  40   9.320   0.128   8.336
  329    HA   GLN  40           HA       GLN  40   8.301   2.605   9.121
  330   1HB   GLN  40          1HB       GLN  40  10.472   1.910   7.149
  331   2HB   GLN  40          2HB       GLN  40  10.143   3.545   7.701
  332   1HG   GLN  40          1HG       GLN  40  10.772   3.028   9.917
  333   2HG   GLN  40          2HG       GLN  40  10.784   1.297   9.582
  334   1HE2  GLN  40          2HE2      GLN  40  12.032   2.507   6.892
  335   2HE2  GLN  40          1HE2      GLN  40  13.712   2.519   7.283
  336    H    GLN  41           H        GLN  41   8.374   1.075   5.911
  337    HA   GLN  41           HA       GLN  41   7.386   3.185   4.407
  338   1HB   GLN  41          1HB       GLN  41   7.008   0.211   4.088
  339   2HB   GLN  41          2HB       GLN  41   6.415   1.370   2.910
  340   1HG   GLN  41          1HG       GLN  41   8.506   0.480   2.165
  341   2HG   GLN  41          2HG       GLN  41   8.717   2.178   2.584
  342   1HE2  GLN  41          2HE2      GLN  41   9.883  -0.923   2.978
  343   2HE2  GLN  41          1HE2      GLN  41  10.963  -0.634   4.294
  344    H    ARG  42           H        ARG  42   5.515   4.233   4.365
  345    HA   ARG  42           HA       ARG  42   3.343   3.322   6.015
  346   1HB   ARG  42          1HB       ARG  42   3.654   5.827   4.370
  347   2HB   ARG  42          2HB       ARG  42   2.303   5.493   5.445
  348   1HG   ARG  42          1HG       ARG  42   3.844   5.428   7.349
  349   2HG   ARG  42          2HG       ARG  42   5.187   5.788   6.265
  350   1HD   ARG  42          1HD       ARG  42   4.142   7.913   5.665
  351   2HD   ARG  42          2HD       ARG  42   2.788   7.553   6.735
  352    HE   ARG  42           HE       ARG  42   5.236   8.703   7.490
  353   1HH1  ARG  42          1HH1      ARG  42   2.952   6.300   8.569
  354   2HH1  ARG  42          2HH1      ARG  42   3.356   6.485  10.243
  355   1HH2  ARG  42          1HH2      ARG  42   5.770   8.952   9.690
  356   2HH2  ARG  42          2HH2      ARG  42   4.956   7.993  10.880
  357    H    LEU  43           H        LEU  43   1.683   2.156   5.297
  358    HA   LEU  43           HA       LEU  43   1.339   1.776   2.446
  359   1HB   LEU  43          1HB       LEU  43   1.162  -0.027   4.282
  360   2HB   LEU  43          2HB       LEU  43  -0.432   0.635   4.587
  361    HG   LEU  43           HG       LEU  43  -1.123   0.103   2.310
  362   1HD1  LEU  43          1HD1      LEU  43   1.460   0.307   1.624
  363   2HD1  LEU  43          2HD1      LEU  43   1.322  -1.448   1.736
  364   3HD1  LEU  43          3HD1      LEU  43   0.263  -0.547   0.649
  365   1HD2  LEU  43          1HD2      LEU  43  -1.013  -1.624   4.275
  366   2HD2  LEU  43          2HD2      LEU  43  -1.439  -2.146   2.645
  367   3HD2  LEU  43          3HD2      LEU  43   0.198  -2.398   3.251
  368    H    ILE  44           H        ILE  44  -0.221   2.673   1.203
  369    HA   ILE  44           HA       ILE  44  -2.467   4.034   2.497
  370    HB   ILE  44           HB       ILE  44  -0.636   5.394   0.518
  371   1HG1  ILE  44          1HG1      ILE  44  -1.192   5.992   3.433
  372   2HG1  ILE  44          2HG1      ILE  44   0.280   5.257   2.810
  373   1HG2  ILE  44          1HG2      ILE  44  -3.152   5.853   0.389
  374   2HG2  ILE  44          2HG2      ILE  44  -2.953   6.652   1.949
  375   3HG2  ILE  44          3HG2      ILE  44  -2.073   7.240   0.539
  376   1HD1  ILE  44          1HD1      ILE  44  -0.196   7.689   1.414
  377   2HD1  ILE  44          2HD1      ILE  44  -0.294   7.982   3.149
  378   3HD1  ILE  44          3HD1      ILE  44   1.154   7.248   2.459
  379    H    PHE  45           H        PHE  45  -4.304   4.238   1.243
  380    HA   PHE  45           HA       PHE  45  -4.222   3.154  -1.488
  381   1HB   PHE  45          1HB       PHE  45  -6.335   2.443   0.559
  382   2HB   PHE  45          2HB       PHE  45  -6.243   1.857  -1.097
  383    HD1  PHE  45           HD1      PHE  45  -4.360   1.851   2.108
  384    HD2  PHE  45           HD2      PHE  45  -5.181  -0.138  -1.562
  385    HE1  PHE  45           HE1      PHE  45  -3.042  -0.083   2.866
  386    HE2  PHE  45           HE2      PHE  45  -3.865  -2.078  -0.810
  387    HZ   PHE  45           HZ       PHE  45  -2.794  -2.051   1.408
  388    H    ALA  46           H        ALA  46  -5.593   4.169  -2.942
  389    HA   ALA  46           HA       ALA  46  -7.658   5.959  -1.950
  390   1HB   ALA  46          1HB       ALA  46  -6.423   7.802  -1.995
  391   2HB   ALA  46          2HB       ALA  46  -6.297   7.609  -3.743
  392   3HB   ALA  46          3HB       ALA  46  -5.052   6.936  -2.690
  393    H    GLY  47           H        GLY  47  -9.359   5.627  -3.188
  394   1HA   GLY  47          1HA       GLY  47 -10.631   4.899  -4.971
  395   2HA   GLY  47          2HA       GLY  47  -9.155   4.361  -5.753
  396    H    LYS  48           H        LYS  48  -9.392   5.185  -7.756
  397    HA   LYS  48           HA       LYS  48 -10.255   7.929  -8.149
  398   1HB   LYS  48          1HB       LYS  48  -7.493   6.984  -8.929
  399   2HB   LYS  48          2HB       LYS  48  -8.234   8.460  -9.529
  400   1HG   LYS  48          1HG       LYS  48  -7.654   7.870  -6.633
  401   2HG   LYS  48          2HG       LYS  48  -6.653   8.863  -7.693
  402   1HD   LYS  48          1HD       LYS  48  -8.522  10.409  -8.012
  403   2HD   LYS  48          2HD       LYS  48  -9.526   9.415  -6.957
  404   1HE   LYS  48          1HE       LYS  48  -7.985   9.828  -5.103
  405   2HE   LYS  48          2HE       LYS  48  -6.983  10.823  -6.157
  406   1HZ   LYS  48          1HZ       LYS  48  -9.835  11.456  -5.747
  407   2HZ   LYS  48          2HZ       LYS  48  -8.667  11.975  -4.639
  408   3HZ   LYS  48          3HZ       LYS  48  -8.584  12.476  -6.253
  409    H    GLN  49           H        GLN  49 -11.956   6.616  -9.009
  410    HA   GLN  49           HA       GLN  49 -11.570   5.077 -11.356
  411   1HB   GLN  49          1HB       GLN  49 -14.020   5.221 -11.574
  412   2HB   GLN  49          2HB       GLN  49 -13.534   4.789  -9.943
  413   1HG   GLN  49          1HG       GLN  49 -13.911   7.072  -9.203
  414   2HG   GLN  49          2HG       GLN  49 -14.377   7.532 -10.839
  415   1HE2  GLN  49          2HE2      GLN  49 -15.474   4.476 -10.445
  416   2HE2  GLN  49          1HE2      GLN  49 -17.076   4.805  -9.893
  417    H    LEU  50           H        LEU  50 -10.596   6.032 -13.003
  418    HA   LEU  50           HA       LEU  50 -10.408   8.645 -13.700
  419   1HB   LEU  50          1HB       LEU  50 -10.523   6.226 -15.486
  420   2HB   LEU  50          2HB       LEU  50 -10.151   7.826 -16.093
  421    HG   LEU  50           HG       LEU  50  -8.117   6.526 -15.744
  422   1HD1  LEU  50          1HD1      LEU  50  -8.985   5.096 -13.918
  423   2HD1  LEU  50          2HD1      LEU  50  -7.402   5.790 -13.571
  424   3HD1  LEU  50          3HD1      LEU  50  -8.846   6.470 -12.819
  425   1HD2  LEU  50          1HD2      LEU  50  -8.679   9.071 -14.523
  426   2HD2  LEU  50          2HD2      LEU  50  -7.396   8.224 -13.658
  427   3HD2  LEU  50          3HD2      LEU  50  -7.241   8.530 -15.388
  428    H    GLU  51           H        GLU  51 -12.450   9.586 -13.154
  429    HA   GLU  51           HA       GLU  51 -14.863   9.029 -14.478
  430   1HB   GLU  51          1HB       GLU  51 -14.705  10.363 -12.411
  431   2HB   GLU  51          2HB       GLU  51 -13.924  11.655 -13.308
  432   1HG   GLU  51          1HG       GLU  51 -15.942  11.931 -14.662
  433   2HG   GLU  51          2HG       GLU  51 -16.726  10.645 -13.744
  434    H1   GLY  -1           H1       GLY  -1  -5.589  -2.726  13.737
  435    H2   GLY  -1           H2       GLY  -1  -6.686  -2.298  14.952
  436    H3   GLY  -1           H3       GLY  -1  -5.942  -1.097  14.023
  437   1HA   GLY  -1          1HA       GLY  -1  -5.058  -2.259  16.425
  438   2HA   GLY  -1          2HA       GLY  -1  -4.341  -0.934  15.519
  439    H    SER   0           H        SER   0  -4.771  -4.345  14.630
  440    HA   SER   0           HA       SER   0  -2.129  -5.157  15.105
  441   1HB   SER   0          1HB       SER   0  -4.129  -6.254  13.115
  442   2HB   SER   0          2HB       SER   0  -2.658  -7.074  13.638
  443    HG   SER   0           HG       SER   0  -3.683  -6.651  15.854
  444    H    MET   1           H        MET   1  -3.689  -3.905  12.185
  445    HA   MET   1           HA       MET   1  -1.270  -2.782  11.211
  446   1HB   MET   1          1HB       MET   1  -0.781  -5.104  10.643
  447   2HB   MET   1          2HB       MET   1  -2.312  -5.244   9.798
  448   1HG   MET   1          1HG       MET   1  -0.436  -4.987   8.264
  449   2HG   MET   1          2HG       MET   1  -1.581  -3.658   8.131
  450   1HE   MET   1          1HE       MET   1   0.392  -3.191   6.675
  451   2HE   MET   1          2HE       MET   1   0.708  -1.520   7.144
  452   3HE   MET   1          3HE       MET   1   2.004  -2.716   7.211
  453    H    GLN   2           H        GLN   2  -3.553  -1.524  11.705
  454    HA   GLN   2           HA       GLN   2  -5.460  -1.420   9.660
  455   1HB   GLN   2          1HB       GLN   2  -6.021   0.813  10.605
  456   2HB   GLN   2          2HB       GLN   2  -5.934  -0.461  11.810
  457   1HG   GLN   2          1HG       GLN   2  -3.687   0.295  12.431
  458   2HG   GLN   2          2HG       GLN   2  -3.807   1.591  11.244
  459   1HE2  GLN   2          2HE2      GLN   2  -4.261   3.470  12.109
  460   2HE2  GLN   2          1HE2      GLN   2  -5.251   3.748  13.495
  461    H    ILE   3           H        ILE   3  -5.038  -1.037   7.624
  462    HA   ILE   3           HA       ILE   3  -2.818   0.464   6.677
  463    HB   ILE   3           HB       ILE   3  -3.828   0.127   4.445
  464   1HG1  ILE   3          1HG1      ILE   3  -6.052  -1.234   5.978
  465   2HG1  ILE   3          2HG1      ILE   3  -6.191   0.306   5.139
  466   1HG2  ILE   3          1HG2      ILE   3  -2.426  -1.603   5.626
  467   2HG2  ILE   3          2HG2      ILE   3  -3.931  -2.425   6.033
  468   3HG2  ILE   3          3HG2      ILE   3  -3.471  -2.213   4.344
  469   1HD1  ILE   3          1HD1      ILE   3  -5.202  -1.555   3.273
  470   2HD1  ILE   3          2HD1      ILE   3  -6.540  -2.326   4.124
  471   3HD1  ILE   3          3HD1      ILE   3  -6.786  -0.779   3.313
  472    H    PHE   4           H        PHE   4  -2.809   2.453   5.618
  473    HA   PHE   4           HA       PHE   4  -4.909   4.276   6.460
  474   1HB   PHE   4          1HB       PHE   4  -2.265   4.755   5.067
  475   2HB   PHE   4          2HB       PHE   4  -3.393   6.031   5.504
  476    HD1  PHE   4           HD1      PHE   4  -2.637   7.258   7.272
  477    HD2  PHE   4           HD2      PHE   4  -2.016   3.048   7.293
  478    HE1  PHE   4           HE1      PHE   4  -1.598   7.426   9.495
  479    HE2  PHE   4           HE2      PHE   4  -0.978   3.208   9.517
  480    HZ   PHE   4           HZ       PHE   4  -0.768   5.399  10.621
  481    H    VAL   5           H        VAL   5  -6.463   5.035   5.165
  482    HA   VAL   5           HA       VAL   5  -6.160   4.820   2.262
  483    HB   VAL   5           HB       VAL   5  -8.549   3.737   3.764
  484   1HG1  VAL   5          1HG1      VAL   5  -6.081   2.517   3.002
  485   2HG1  VAL   5          2HG1      VAL   5  -7.461   1.804   3.836
  486   3HG1  VAL   5          3HG1      VAL   5  -7.397   1.799   2.073
  487   1HG2  VAL   5          1HG2      VAL   5  -8.122   4.500   0.965
  488   2HG2  VAL   5          2HG2      VAL   5  -8.795   2.885   1.191
  489   3HG2  VAL   5          3HG2      VAL   5  -9.621   4.287   1.869
  490    H    LYS   6           H        LYS   6  -7.559   6.178   1.065
  491    HA   LYS   6           HA       LYS   6  -8.877   8.280   2.650
  492   1HB   LYS   6          1HB       LYS   6  -6.796   9.133   1.666
  493   2HB   LYS   6          2HB       LYS   6  -7.328   8.617   0.072
  494   1HG   LYS   6          1HG       LYS   6  -9.190  10.192   0.177
  495   2HG   LYS   6          2HG       LYS   6  -8.666  10.705   1.782
  496   1HD   LYS   6          1HD       LYS   6  -7.035  10.949  -0.745
  497   2HD   LYS   6          2HD       LYS   6  -7.938  12.260   0.016
  498   1HE   LYS   6          1HE       LYS   6  -6.567  12.028   2.032
  499   2HE   LYS   6          2HE       LYS   6  -5.663  10.723   1.265
  500   1HZ   LYS   6          1HZ       LYS   6  -5.717  13.052  -0.370
  501   2HZ   LYS   6          2HZ       LYS   6  -5.084  13.401   1.158
  502   3HZ   LYS   6          3HZ       LYS   6  -4.388  12.182   0.213
  503    H    THR   7           H        THR   7 -10.989   8.257   2.322
  504    HA   THR   7           HA       THR   7 -12.197   6.785   0.221
  505    HB   THR   7           HB       THR   7 -14.335   7.713   1.043
  506    HG1  THR   7           HG1      THR   7 -13.502   9.785   1.680
  507   1HG2  THR   7          1HG2      THR   7 -12.488   6.088   2.462
  508   2HG2  THR   7          2HG2      THR   7 -13.355   7.080   3.635
  509   3HG2  THR   7          3HG2      THR   7 -14.250   6.051   2.519
  510    H    LEU   8           H        LEU   8 -13.490   7.501  -1.467
  511    HA   LEU   8           HA       LEU   8 -12.495   9.422  -3.146
  512   1HB   LEU   8          1HB       LEU   8 -15.347   8.468  -2.904
  513   2HB   LEU   8          2HB       LEU   8 -14.689   9.316  -4.291
  514    HG   LEU   8           HG       LEU   8 -13.401   6.772  -3.390
  515   1HD1  LEU   8          1HD1      LEU   8 -12.505   8.331  -5.190
  516   2HD1  LEU   8          2HD1      LEU   8 -12.664   6.624  -5.602
  517   3HD1  LEU   8          3HD1      LEU   8 -13.864   7.783  -6.171
  518   1HD2  LEU   8          1HD2      LEU   8 -16.122   7.020  -4.349
  519   2HD2  LEU   8          2HD2      LEU   8 -15.124   6.005  -5.388
  520   3HD2  LEU   8          3HD2      LEU   8 -15.277   5.628  -3.671
  521    H    THR   9           H        THR   9 -14.946   9.784  -0.637
  522    HA   THR   9           HA       THR   9 -15.730  12.420  -1.304
  523    HB   THR   9           HB       THR   9 -16.680  12.524   0.967
  524    HG1  THR   9           HG1      THR   9 -16.426  10.574   2.269
  525   1HG2  THR   9          1HG2      THR   9 -17.813  11.299  -0.928
  526   2HG2  THR   9          2HG2      THR   9 -17.197   9.805  -0.223
  527   3HG2  THR   9          3HG2      THR   9 -18.313  10.815   0.694
  528    H    GLY  10           H        GLY  10 -13.351  11.140   1.017
  529   1HA   GLY  10          1HA       GLY  10 -12.460  13.885   1.552
  530   2HA   GLY  10          2HA       GLY  10 -11.308  12.763   0.855
  531    H    LYS  11           H        LYS  11 -13.752  12.157   3.360
  532    HA   LYS  11           HA       LYS  11 -12.133  12.392   5.588
  533   1HB   LYS  11          1HB       LYS  11 -13.740  10.910   6.736
  534   2HB   LYS  11          2HB       LYS  11 -14.517  12.182   5.811
  535   1HG   LYS  11          1HG       LYS  11 -15.836  10.400   5.284
  536   2HG   LYS  11          2HG       LYS  11 -14.669  10.339   3.963
  537   1HD   LYS  11          1HD       LYS  11 -13.477   8.560   4.977
  538   2HD   LYS  11          2HD       LYS  11 -14.342   8.763   6.504
  539   1HE   LYS  11          1HE       LYS  11 -16.425   8.081   5.401
  540   2HE   LYS  11          2HE       LYS  11 -15.545   7.857   3.891
  541   1HZ   LYS  11          1HZ       LYS  11 -14.969   6.382   6.401
  542   2HZ   LYS  11          2HZ       LYS  11 -15.904   5.777   5.127
  543   3HZ   LYS  11          3HZ       LYS  11 -14.264   6.114   4.886
  544    H    THR  12           H        THR  12 -10.779  11.111   6.718
  545    HA   THR  12           HA       THR  12  -9.366   9.100   5.277
  546    HB   THR  12           HB       THR  12  -9.137   9.826   8.202
  547    HG1  THR  12           HG1      THR  12  -7.716  11.359   7.568
  548   1HG2  THR  12          1HG2      THR  12  -7.965   7.730   6.751
  549   2HG2  THR  12          2HG2      THR  12  -6.709   8.956   6.924
  550   3HG2  THR  12          3HG2      THR  12  -7.512   8.308   8.355
  551    H    ILE  13           H        ILE  13  -9.157   6.934   5.695
  552    HA   ILE  13           HA       ILE  13 -11.162   5.714   7.461
  553    HB   ILE  13           HB       ILE  13 -12.216   5.197   5.530
  554   1HG1  ILE  13          1HG1      ILE  13 -10.054   3.110   5.739
  555   2HG1  ILE  13          2HG1      ILE  13 -11.696   3.034   6.371
  556   1HG2  ILE  13          1HG2      ILE  13  -9.673   5.912   4.337
  557   2HG2  ILE  13          2HG2      ILE  13 -10.475   4.595   3.480
  558   3HG2  ILE  13          3HG2      ILE  13 -11.312   6.132   3.725
  559   1HD1  ILE  13          1HD1      ILE  13 -12.523   3.011   4.028
  560   2HD1  ILE  13          2HD1      ILE  13 -10.845   2.908   3.489
  561   3HD1  ILE  13          3HD1      ILE  13 -11.543   1.610   4.465
  562    H    THR  14           H        THR  14 -10.550   3.914   8.536
  563    HA   THR  14           HA       THR  14  -7.756   3.030   8.184
  564    HB   THR  14           HB       THR  14  -9.003   2.585  10.827
  565    HG1  THR  14           HG1      THR  14  -9.342   4.631  11.263
  566   1HG2  THR  14          1HG2      THR  14  -6.374   2.959   9.619
  567   2HG2  THR  14          2HG2      THR  14  -6.574   3.854  11.127
  568   3HG2  THR  14          3HG2      THR  14  -6.827   2.109  11.098
  569    H    LEU  15           H        LEU  15  -7.350   0.820   8.270
  570    HA   LEU  15           HA       LEU  15  -9.504  -1.024   8.859
  571   1HB   LEU  15          1HB       LEU  15 -10.213  -0.785   6.702
  572   2HB   LEU  15          2HB       LEU  15  -8.629  -0.334   6.110
  573    HG   LEU  15           HG       LEU  15  -7.931  -2.692   6.199
  574   1HD1  LEU  15          1HD1      LEU  15 -10.316  -1.869   4.603
  575   2HD1  LEU  15          2HD1      LEU  15  -8.644  -2.095   4.088
  576   3HD1  LEU  15          3HD1      LEU  15  -9.656  -3.497   4.442
  577   1HD2  LEU  15          1HD2      LEU  15 -10.068  -3.005   7.919
  578   2HD2  LEU  15          2HD2      LEU  15 -10.581  -3.822   6.443
  579   3HD2  LEU  15          3HD2      LEU  15  -9.074  -4.287   7.229
  580    H    GLU  16           H        GLU  16  -8.526  -2.484  10.090
  581    HA   GLU  16           HA       GLU  16  -5.724  -3.048   9.886
  582   1HB   GLU  16          1HB       GLU  16  -6.149  -4.617  11.746
  583   2HB   GLU  16          2HB       GLU  16  -6.775  -3.004  12.064
  584   1HG   GLU  16          1HG       GLU  16  -9.021  -3.749  11.498
  585   2HG   GLU  16          2HG       GLU  16  -8.404  -5.361  11.139
  586    H    VAL  17           H        VAL  17  -4.727  -4.723   8.975
  587    HA   VAL  17           HA       VAL  17  -6.117  -7.135   8.204
  588    HB   VAL  17           HB       VAL  17  -5.319  -6.988   5.820
  589   1HG1  VAL  17          1HG1      VAL  17  -7.442  -5.093   6.800
  590   2HG1  VAL  17          2HG1      VAL  17  -7.182  -5.457   5.095
  591   3HG1  VAL  17          3HG1      VAL  17  -7.647  -6.742   6.210
  592   1HG2  VAL  17          1HG2      VAL  17  -4.350  -4.444   6.811
  593   2HG2  VAL  17          2HG2      VAL  17  -3.923  -5.323   5.343
  594   3HG2  VAL  17          3HG2      VAL  17  -5.333  -4.263   5.357
  595    H    GLU  18           H        GLU  18  -4.730  -8.858   7.990
  596    HA   GLU  18           HA       GLU  18  -2.213  -8.675   9.199
  597   1HB   GLU  18          1HB       GLU  18  -3.226 -10.871   7.391
  598   2HB   GLU  18          2HB       GLU  18  -1.916 -11.003   8.555
  599   1HG   GLU  18          1HG       GLU  18  -3.488 -10.590  10.375
  600   2HG   GLU  18          2HG       GLU  18  -4.802 -10.457   9.207
  601    HA   PRO  19           HA       PRO  19   0.434  -7.139   5.989
  602   1HB   PRO  19          1HB       PRO  19   2.730  -8.441   6.841
  603   2HB   PRO  19          2HB       PRO  19   2.161  -6.890   7.451
  604   1HG   PRO  19          1HG       PRO  19   1.833  -9.617   8.615
  605   2HG   PRO  19          2HG       PRO  19   2.160  -8.080   9.434
  606   1HD   PRO  19          1HD       PRO  19  -0.286  -9.162   9.448
  607   2HD   PRO  19          2HD       PRO  19  -0.061  -7.406   9.321
  608    H    SER  20           H        SER  20   0.588 -10.540   6.914
  609    HA   SER  20           HA       SER  20   1.839 -11.492   4.582
  610   1HB   SER  20          1HB       SER  20   1.763 -12.774   6.663
  611   2HB   SER  20          2HB       SER  20   0.013 -12.925   6.522
  612    HG   SER  20           HG       SER  20   0.276 -14.495   5.150
  613    H    ASP  21           H        ASP  21  -1.487 -10.770   5.357
  614    HA   ASP  21           HA       ASP  21  -2.826 -12.217   3.412
  615   1HB   ASP  21          1HB       ASP  21  -3.418  -9.485   4.564
  616   2HB   ASP  21          2HB       ASP  21  -4.529 -10.356   3.514
  617    H    THR  22           H        THR  22  -3.122 -12.039   1.270
  618    HA   THR  22           HA       THR  22  -1.298 -10.706  -0.337
  619    HB   THR  22           HB       THR  22  -2.799 -11.207  -2.231
  620    HG1  THR  22           HG1      THR  22  -4.662 -12.632  -0.942
  621   1HG2  THR  22          1HG2      THR  22  -1.306 -12.930  -1.144
  622   2HG2  THR  22          2HG2      THR  22  -2.742 -13.526  -0.310
  623   3HG2  THR  22          3HG2      THR  22  -2.662 -13.573  -2.072
  624    H    ILE  23           H        ILE  23  -1.309  -8.849  -1.526
  625    HA   ILE  23           HA       ILE  23  -2.549  -6.585  -0.475
  626    HB   ILE  23           HB       ILE  23  -1.467  -6.952  -3.273
  627   1HG1  ILE  23          1HG1      ILE  23  -0.145  -5.926  -0.749
  628   2HG1  ILE  23          2HG1      ILE  23   0.195  -7.461  -1.540
  629   1HG2  ILE  23          1HG2      ILE  23  -2.968  -4.984  -2.939
  630   2HG2  ILE  23          2HG2      ILE  23  -1.832  -4.394  -1.724
  631   3HG2  ILE  23          3HG2      ILE  23  -1.316  -4.572  -3.401
  632   1HD1  ILE  23          1HD1      ILE  23   0.490  -5.054  -3.210
  633   2HD1  ILE  23          2HD1      ILE  23   1.656  -5.253  -1.902
  634   3HD1  ILE  23          3HD1      ILE  23   1.478  -6.511  -3.124
  635    H    GLU  24           H        GLU  24  -3.444  -8.575  -3.273
  636    HA   GLU  24           HA       GLU  24  -5.557  -7.023  -4.223
  637   1HB   GLU  24          1HB       GLU  24  -6.378  -9.085  -5.280
  638   2HB   GLU  24          2HB       GLU  24  -4.644  -8.899  -5.486
  639   1HG   GLU  24          1HG       GLU  24  -4.261 -10.489  -3.666
  640   2HG   GLU  24          2HG       GLU  24  -6.004 -10.686  -3.483
  641    H    ASN  25           H        ASN  25  -5.502  -9.539  -1.739
  642    HA   ASN  25           HA       ASN  25  -8.287  -9.580  -1.257
  643   1HB   ASN  25          1HB       ASN  25  -6.857 -11.409  -0.526
  644   2HB   ASN  25          2HB       ASN  25  -5.973 -10.328   0.543
  645   1HD2  ASN  25          2HD2      ASN  25  -6.478 -10.623   2.571
  646   2HD2  ASN  25          1HD2      ASN  25  -8.042 -11.011   3.194
  647    H    VAL  26           H        VAL  26  -5.617  -7.772   0.192
  648    HA   VAL  26           HA       VAL  26  -7.034  -6.545   2.270
  649    HB   VAL  26           HB       VAL  26  -4.657  -5.496   0.723
  650   1HG1  VAL  26          1HG1      VAL  26  -4.823  -7.714   2.340
  651   2HG1  VAL  26          2HG1      VAL  26  -3.352  -6.819   1.959
  652   3HG1  VAL  26          3HG1      VAL  26  -4.245  -6.460   3.436
  653   1HG2  VAL  26          1HG2      VAL  26  -6.029  -3.816   2.071
  654   2HG2  VAL  26          2HG2      VAL  26  -5.455  -4.683   3.496
  655   3HG2  VAL  26          3HG2      VAL  26  -4.300  -3.914   2.407
  656    H    LYS  27           H        LYS  27  -6.382  -5.384  -1.041
  657    HA   LYS  27           HA       LYS  27  -7.778  -2.945  -0.769
  658   1HB   LYS  27          1HB       LYS  27  -7.293  -4.552  -3.285
  659   2HB   LYS  27          2HB       LYS  27  -7.766  -2.863  -3.221
  660   1HG   LYS  27          1HG       LYS  27  -5.622  -2.379  -2.036
  661   2HG   LYS  27          2HG       LYS  27  -5.154  -4.055  -2.330
  662   1HD   LYS  27          1HD       LYS  27  -5.487  -3.666  -4.763
  663   2HD   LYS  27          2HD       LYS  27  -5.790  -1.965  -4.410
  664   1HE   LYS  27          1HE       LYS  27  -3.247  -3.497  -3.909
  665   2HE   LYS  27          2HE       LYS  27  -3.505  -2.238  -5.113
  666   1HZ   LYS  27          1HZ       LYS  27  -4.141  -0.878  -2.972
  667   2HZ   LYS  27          2HZ       LYS  27  -3.116  -2.000  -2.231
  668   3HZ   LYS  27          3HZ       LYS  27  -2.535  -1.025  -3.484
  669    H    ALA  28           H        ALA  28  -8.763  -6.158  -1.837
  670    HA   ALA  28           HA       ALA  28 -11.288  -5.594  -2.828
  671   1HB   ALA  28          1HB       ALA  28 -11.398  -7.797  -3.087
  672   2HB   ALA  28          2HB       ALA  28 -11.266  -8.080  -1.350
  673   3HB   ALA  28          3HB       ALA  28  -9.809  -7.882  -2.326
  674    H    LYS  29           H        LYS  29 -10.236  -5.986   0.509
  675    HA   LYS  29           HA       LYS  29 -12.818  -6.103   1.660
  676   1HB   LYS  29          1HB       LYS  29 -10.801  -6.822   2.868
  677   2HB   LYS  29          2HB       LYS  29 -10.202  -5.169   2.868
  678   1HG   LYS  29          1HG       LYS  29 -11.989  -4.458   4.295
  679   2HG   LYS  29          2HG       LYS  29 -12.761  -6.042   4.189
  680   1HD   LYS  29          1HD       LYS  29 -10.044  -5.500   5.385
  681   2HD   LYS  29          2HD       LYS  29 -11.531  -5.737   6.300
  682   1HE   LYS  29          1HE       LYS  29 -10.250  -7.753   4.460
  683   2HE   LYS  29          2HE       LYS  29 -10.188  -7.780   6.222
  684   1HZ   LYS  29          1HZ       LYS  29 -12.642  -7.940   6.207
  685   2HZ   LYS  29          2HZ       LYS  29 -12.602  -8.082   4.522
  686   3HZ   LYS  29          3HZ       LYS  29 -11.883  -9.269   5.488
  687    H    ILE  30           H        ILE  30 -10.676  -3.488   0.727
  688    HA   ILE  30           HA       ILE  30 -11.952  -1.358   2.004
  689    HB   ILE  30           HB       ILE  30 -10.696  -1.265  -0.745
  690   1HG1  ILE  30          1HG1      ILE  30  -9.399  -0.915   1.970
  691   2HG1  ILE  30          2HG1      ILE  30  -9.184  -2.304   0.910
  692   1HG2  ILE  30          1HG2      ILE  30 -12.095   0.692   0.238
  693   2HG2  ILE  30          2HG2      ILE  30 -10.684   0.953   1.264
  694   3HG2  ILE  30          3HG2      ILE  30 -10.526   1.030  -0.491
  695   1HD1  ILE  30          1HD1      ILE  30  -8.555  -0.064  -0.640
  696   2HD1  ILE  30          2HD1      ILE  30  -7.795   0.195   0.930
  697   3HD1  ILE  30          3HD1      ILE  30  -7.450  -1.273   0.015
  698    H    GLN  31           H        GLN  31 -12.786  -3.225  -0.816
  699    HA   GLN  31           HA       GLN  31 -14.736  -1.543  -1.963
  700   1HB   GLN  31          1HB       GLN  31 -14.727  -4.571  -1.878
  701   2HB   GLN  31          2HB       GLN  31 -15.599  -3.562  -3.022
  702   1HG   GLN  31          1HG       GLN  31 -13.541  -2.820  -4.011
  703   2HG   GLN  31          2HG       GLN  31 -12.605  -3.683  -2.793
  704   1HE2  GLN  31          2HE2      GLN  31 -13.877  -3.817  -5.845
  705   2HE2  GLN  31          1HE2      GLN  31 -13.753  -5.517  -6.128
  706    H    ASP  32           H        ASP  32 -14.963  -4.247   0.299
  707    HA   ASP  32           HA       ASP  32 -17.696  -4.044   0.853
  708   1HB   ASP  32          1HB       ASP  32 -16.320  -6.004   1.469
  709   2HB   ASP  32          2HB       ASP  32 -15.484  -5.025   2.670
  710    H    LYS  33           H        LYS  33 -14.889  -2.432   2.092
  711    HA   LYS  33           HA       LYS  33 -16.049  -1.166   4.325
  712   1HB   LYS  33          1HB       LYS  33 -13.607  -0.600   2.656
  713   2HB   LYS  33          2HB       LYS  33 -14.054   0.417   4.023
  714   1HG   LYS  33          1HG       LYS  33 -13.490  -2.540   4.145
  715   2HG   LYS  33          2HG       LYS  33 -12.375  -1.256   4.621
  716   1HD   LYS  33          1HD       LYS  33 -13.948  -0.521   6.343
  717   2HD   LYS  33          2HD       LYS  33 -15.073  -1.794   5.863
  718   1HE   LYS  33          1HE       LYS  33 -12.290  -2.215   6.945
  719   2HE   LYS  33          2HE       LYS  33 -13.789  -2.422   7.850
  720   1HZ   LYS  33          1HZ       LYS  33 -13.476  -3.916   5.354
  721   2HZ   LYS  33          2HZ       LYS  33 -12.596  -4.438   6.702
  722   3HZ   LYS  33          3HZ       LYS  33 -14.284  -4.347   6.775
  723    H    GLU  34           H        GLU  34 -15.898  -0.328   0.917
  724    HA   GLU  34           HA       GLU  34 -17.797   1.837   1.426
  725   1HB   GLU  34          1HB       GLU  34 -15.268   2.189  -0.194
  726   2HB   GLU  34          2HB       GLU  34 -16.571   3.361  -0.089
  727   1HG   GLU  34          1HG       GLU  34 -14.893   2.420   2.224
  728   2HG   GLU  34          2HG       GLU  34 -14.665   3.926   1.340
  729    H    GLY  35           H        GLY  35 -15.911   0.662  -1.373
  730   1HA   GLY  35          1HA       GLY  35 -18.418   0.515  -2.893
  731   2HA   GLY  35          2HA       GLY  35 -17.434  -0.933  -2.771
  732    H    ILE  36           H        ILE  36 -14.917  -0.129  -3.126
  733    HA   ILE  36           HA       ILE  36 -14.964   1.046  -5.819
  734    HB   ILE  36           HB       ILE  36 -12.467   1.686  -4.710
  735   1HG1  ILE  36          1HG1      ILE  36 -13.190   3.215  -2.841
  736   2HG1  ILE  36          2HG1      ILE  36 -14.752   2.402  -2.865
  737   1HG2  ILE  36          1HG2      ILE  36 -14.729   2.996  -5.948
  738   2HG2  ILE  36          2HG2      ILE  36 -13.891   4.039  -4.796
  739   3HG2  ILE  36          3HG2      ILE  36 -12.998   3.296  -6.126
  740   1HD1  ILE  36          1HD1      ILE  36 -13.452   0.251  -2.482
  741   2HD1  ILE  36          2HD1      ILE  36 -12.082   1.290  -2.094
  742   3HD1  ILE  36          3HD1      ILE  36 -13.560   1.385  -1.136
  743    HA   PRO  37           HA       PRO  37 -12.834  -2.658  -7.049
  744   1HB   PRO  37          1HB       PRO  37 -11.584  -0.737  -8.966
  745   2HB   PRO  37          2HB       PRO  37 -12.325  -2.310  -9.278
  746   1HG   PRO  37          1HG       PRO  37 -13.635  -0.082  -9.867
  747   2HG   PRO  37          2HG       PRO  37 -14.490  -1.456  -9.140
  748   1HD   PRO  37          1HD       PRO  37 -13.598   1.104  -7.887
  749   2HD   PRO  37          2HD       PRO  37 -15.066   0.154  -7.589
  750    HA   PRO  38           HA       PRO  38  -8.998  -2.377  -4.825
  751   1HB   PRO  38          1HB       PRO  38  -8.064  -4.511  -6.652
  752   2HB   PRO  38          2HB       PRO  38  -8.146  -4.494  -4.889
  753   1HG   PRO  38          1HG       PRO  38  -9.871  -5.916  -6.372
  754   2HG   PRO  38          2HG       PRO  38 -10.353  -5.146  -4.850
  755   1HD   PRO  38          1HD       PRO  38 -10.930  -4.332  -7.655
  756   2HD   PRO  38          2HD       PRO  38 -11.927  -4.159  -6.198
  757    H    ASP  39           H        ASP  39  -8.963  -2.603  -8.349
  758    HA   ASP  39           HA       ASP  39  -6.311  -1.799  -8.765
  759   1HB   ASP  39          1HB       ASP  39  -8.716  -1.434 -10.563
  760   2HB   ASP  39          2HB       ASP  39  -7.035  -1.282 -11.065
  761    H    GLN  40           H        GLN  40  -9.284   0.071  -8.370
  762    HA   GLN  40           HA       GLN  40  -8.233   2.540  -9.167
  763   1HB   GLN  40          1HB       GLN  40 -10.514   1.881  -7.310
  764   2HB   GLN  40          2HB       GLN  40 -10.152   3.506  -7.877
  765   1HG   GLN  40          1HG       GLN  40 -10.472   2.776 -10.185
  766   2HG   GLN  40          2HG       GLN  40 -10.827   1.145  -9.622
  767   1HE2  GLN  40          2HE2      GLN  40 -12.125   2.971  -7.313
  768   2HE2  GLN  40          1HE2      GLN  40 -13.719   3.186  -7.937
  769    H    GLN  41           H        GLN  41  -8.353   1.004  -5.964
  770    HA   GLN  41           HA       GLN  41  -7.418   3.157  -4.453
  771   1HB   GLN  41          1HB       GLN  41  -7.049   0.185  -4.092
  772   2HB   GLN  41          2HB       GLN  41  -6.462   1.357  -2.923
  773   1HG   GLN  41          1HG       GLN  41  -8.562   0.481  -2.185
  774   2HG   GLN  41          2HG       GLN  41  -8.763   2.176  -2.624
  775   1HE2  GLN  41          2HE2      GLN  41  -9.938  -0.923  -2.991
  776   2HE2  GLN  41          1HE2      GLN  41 -11.005  -0.647  -4.320
  777    H    ARG  42           H        ARG  42  -5.516   4.178  -4.348
  778    HA   ARG  42           HA       ARG  42  -3.343   3.245  -5.992
  779   1HB   ARG  42          1HB       ARG  42  -3.641   5.757  -4.357
  780   2HB   ARG  42          2HB       ARG  42  -2.284   5.406  -5.416
  781   1HG   ARG  42          1HG       ARG  42  -3.802   5.352  -7.336
  782   2HG   ARG  42          2HG       ARG  42  -5.155   5.724  -6.268
  783   1HD   ARG  42          1HD       ARG  42  -4.101   7.842  -5.662
  784   2HD   ARG  42          2HD       ARG  42  -2.737   7.469  -6.715
  785    HE   ARG  42           HE       ARG  42  -5.170   8.634  -7.500
  786   1HH1  ARG  42          1HH1      ARG  42  -2.884   6.219  -8.549
  787   2HH1  ARG  42          2HH1      ARG  42  -3.267   6.404 -10.228
  788   1HH2  ARG  42          1HH2      ARG  42  -5.676   8.882  -9.707
  789   2HH2  ARG  42          2HH2      ARG  42  -4.852   7.918 -10.886
  790    H    LEU  43           H        LEU  43  -1.668   2.101  -5.272
  791    HA   LEU  43           HA       LEU  43  -1.351   1.703  -2.417
  792   1HB   LEU  43          1HB       LEU  43  -1.181  -0.103  -4.247
  793   2HB   LEU  43          2HB       LEU  43   0.417   0.551  -4.557
  794    HG   LEU  43           HG       LEU  43   1.101   0.026  -2.271
  795   1HD1  LEU  43          1HD1      LEU  43  -1.478   0.221  -1.591
  796   2HD1  LEU  43          2HD1      LEU  43  -1.346  -1.534  -1.725
  797   3HD1  LEU  43          3HD1      LEU  43  -0.289  -0.651  -0.622
  798   1HD2  LEU  43          1HD2      LEU  43   1.008  -1.695  -4.245
  799   2HD2  LEU  43          2HD2      LEU  43   1.436  -2.217  -2.616
  800   3HD2  LEU  43          3HD2      LEU  43  -0.198  -2.480  -3.225
  801    H    ILE  44           H        ILE  44   0.207   2.599  -1.166
  802    HA   ILE  44           HA       ILE  44   2.471   3.935  -2.453
  803    HB   ILE  44           HB       ILE  44   0.639   5.321  -0.495
  804   1HG1  ILE  44          1HG1      ILE  44   1.216   5.886  -3.412
  805   2HG1  ILE  44          2HG1      ILE  44  -0.270   5.186  -2.782
  806   1HG2  ILE  44          1HG2      ILE  44   3.149   5.766  -0.335
  807   2HG2  ILE  44          2HG2      ILE  44   2.991   6.537  -1.912
  808   3HG2  ILE  44          3HG2      ILE  44   2.091   7.163  -0.531
  809   1HD1  ILE  44          1HD1      ILE  44   0.244   7.622  -1.412
  810   2HD1  ILE  44          2HD1      ILE  44   0.359   7.897  -3.149
  811   3HD1  ILE  44          3HD1      ILE  44  -1.107   7.198  -2.463
  812    H    PHE  45           H        PHE  45   4.301   4.139  -1.192
  813    HA   PHE  45           HA       PHE  45   4.203   3.089   1.552
  814   1HB   PHE  45          1HB       PHE  45   6.322   2.327  -0.472
  815   2HB   PHE  45          2HB       PHE  45   6.202   1.759   1.189
  816    HD1  PHE  45           HD1      PHE  45   4.358   1.740  -2.040
  817    HD2  PHE  45           HD2      PHE  45   5.112  -0.221   1.660
  818    HE1  PHE  45           HE1      PHE  45   3.034  -0.189  -2.798
  819    HE2  PHE  45           HE2      PHE  45   3.789  -2.155   0.908
  820    HZ   PHE  45           HZ       PHE  45   2.749  -2.141  -1.324
  821    H    ALA  46           H        ALA  46   5.582   4.121   2.990
  822    HA   ALA  46           HA       ALA  46   7.661   5.876   1.959
  823   1HB   ALA  46          1HB       ALA  46   6.453   7.736   1.998
  824   2HB   ALA  46          2HB       ALA  46   5.069   6.884   2.683
  825   3HB   ALA  46          3HB       ALA  46   6.308   7.551   3.745
  826    H    GLY  47           H        GLY  47   9.365   5.485   3.180
  827   1HA   GLY  47          1HA       GLY  47  10.644   4.805   4.973
  828   2HA   GLY  47          2HA       GLY  47   9.170   4.278   5.766
  829    H    LYS  48           H        LYS  48   9.372   5.133   7.757
  830    HA   LYS  48           HA       LYS  48  10.268   7.872   8.116
  831   1HB   LYS  48          1HB       LYS  48   7.481   6.973   8.866
  832   2HB   LYS  48          2HB       LYS  48   8.233   8.442   9.469
  833   1HG   LYS  48          1HG       LYS  48   7.704   7.846   6.567
  834   2HG   LYS  48          2HG       LYS  48   6.683   8.842   7.603
  835   1HD   LYS  48          1HD       LYS  48   8.557  10.378   7.966
  836   2HD   LYS  48          2HD       LYS  48   9.571   9.384   6.921
  837   1HE   LYS  48          1HE       LYS  48   8.062   9.813   5.047
  838   2HE   LYS  48          2HE       LYS  48   7.044  10.802   6.090
  839   1HZ   LYS  48          1HZ       LYS  48   9.903  11.432   5.720
  840   2HZ   LYS  48          2HZ       LYS  48   8.746  11.966   4.608
  841   3HZ   LYS  48          3HZ       LYS  48   8.651  12.451   6.228
  842    H    GLN  49           H        GLN  49  11.940   6.539   9.057
  843    HA   GLN  49           HA       GLN  49  11.469   5.030  11.402
  844   1HB   GLN  49          1HB       GLN  49  13.905   5.165  11.711
  845   2HB   GLN  49          2HB       GLN  49  13.489   4.755  10.054
  846   1HG   GLN  49          1HG       GLN  49  13.880   7.065   9.375
  847   2HG   GLN  49          2HG       GLN  49  14.311   7.476  11.033
  848   1HE2  GLN  49          2HE2      GLN  49  15.393   4.418  10.565
  849   2HE2  GLN  49          1HE2      GLN  49  17.011   4.754  10.064
  850    H    LEU  50           H        LEU  50  10.746   5.821  13.245
  851    HA   LEU  50           HA       LEU  50  10.412   8.492  13.867
  852   1HB   LEU  50          1HB       LEU  50  10.588   6.070  15.642
  853   2HB   LEU  50          2HB       LEU  50  10.229   7.664  16.273
  854    HG   LEU  50           HG       LEU  50   8.190   6.359  15.965
  855   1HD1  LEU  50          1HD1      LEU  50   9.017   4.955  14.098
  856   2HD1  LEU  50          2HD1      LEU  50   7.422   5.649  13.801
  857   3HD1  LEU  50          3HD1      LEU  50   8.845   6.343  13.025
  858   1HD2  LEU  50          1HD2      LEU  50   8.683   8.945  14.960
  859   2HD2  LEU  50          2HD2      LEU  50   7.580   8.153  13.835
  860   3HD2  LEU  50          3HD2      LEU  50   7.161   8.273  15.544
  861    H    GLU  51           H        GLU  51  12.441   9.454  13.273
  862    HA   GLU  51           HA       GLU  51  14.870   8.927  14.593
  863   1HB   GLU  51          1HB       GLU  51  14.781  10.182  12.508
  864   2HB   GLU  51          2HB       GLU  51  13.885  11.473  13.294
  865   1HG   GLU  51          1HG       GLU  51  15.805  11.955  14.714
  866   2HG   GLU  51          2HG       GLU  51  16.705  10.646  13.948

  No H/Q in entry =         866
  Start of MODEL    2
    1    H1   GLY  -1           H1       GLY  -1   2.044  -6.496 -17.596
    2    H2   GLY  -1           H2       GLY  -1   3.190  -5.286 -17.311
    3    H3   GLY  -1           H3       GLY  -1   3.521  -6.520 -18.419
    4   1HA   GLY  -1          1HA       GLY  -1   4.688  -6.826 -16.290
    5   2HA   GLY  -1          2HA       GLY  -1   3.621  -8.158 -16.707
    6    H    SER   0           H        SER   0   4.672  -6.842 -14.130
    7    HA   SER   0           HA       SER   0   2.396  -7.416 -12.543
    8   1HB   SER   0          1HB       SER   0   4.988  -6.035 -11.804
    9   2HB   SER   0          2HB       SER   0   3.799  -6.649 -10.655
   10    HG   SER   0           HG       SER   0   5.757  -7.997 -11.442
   11    H    MET   1           H        MET   1   3.537  -4.808 -10.963
   12    HA   MET   1           HA       MET   1   2.113  -2.721 -12.334
   13   1HB   MET   1          1HB       MET   1   0.546  -2.308 -10.416
   14   2HB   MET   1          2HB       MET   1   0.196  -3.752 -11.352
   15   1HG   MET   1          1HG       MET   1   1.163  -5.151  -9.664
   16   2HG   MET   1          2HG       MET   1   1.718  -3.744  -8.759
   17   1HE   MET   1          1HE       MET   1   0.283  -1.918  -8.181
   18   2HE   MET   1          2HE       MET   1  -1.447  -1.867  -8.525
   19   3HE   MET   1          3HE       MET   1  -0.880  -2.332  -6.921
   20    H    GLN   2           H        GLN   2   3.378  -1.033 -12.078
   21    HA   GLN   2           HA       GLN   2   5.412  -0.819 -10.167
   22   1HB   GLN   2          1HB       GLN   2   5.658   1.487 -10.974
   23   2HB   GLN   2          2HB       GLN   2   5.494   0.349 -12.302
   24   1HG   GLN   2          1HG       GLN   2   3.090   0.960 -12.446
   25   2HG   GLN   2          2HG       GLN   2   3.378   2.196 -11.228
   26   1HE2  GLN   2          2HE2      GLN   2   6.110   1.896 -13.085
   27   2HE2  GLN   2          1HE2      GLN   2   5.817   3.170 -14.211
   28    H    ILE   3           H        ILE   3   5.470  -0.077  -8.160
   29    HA   ILE   3           HA       ILE   3   3.019   1.053  -7.009
   30    HB   ILE   3           HB       ILE   3   3.951   0.420  -4.822
   31   1HG1  ILE   3          1HG1      ILE   3   6.198  -0.815  -6.421
   32   2HG1  ILE   3          2HG1      ILE   3   6.337   0.615  -5.407
   33   1HG2  ILE   3          1HG2      ILE   3   2.642  -1.152  -6.441
   34   2HG2  ILE   3          2HG2      ILE   3   4.164  -2.042  -6.484
   35   3HG2  ILE   3          3HG2      ILE   3   3.335  -1.785  -4.948
   36   1HD1  ILE   3          1HD1      ILE   3   5.234  -1.422  -3.807
   37   2HD1  ILE   3          2HD1      ILE   3   6.594  -2.120  -4.687
   38   3HD1  ILE   3          3HD1      ILE   3   6.830  -0.682  -3.694
   39    H    PHE   4           H        PHE   4   3.020   3.004  -5.963
   40    HA   PHE   4           HA       PHE   4   5.318   4.718  -6.453
   41   1HB   PHE   4          1HB       PHE   4   2.551   5.312  -5.382
   42   2HB   PHE   4          2HB       PHE   4   3.798   6.529  -5.608
   43    HD1  PHE   4           HD1      PHE   4   3.342   7.878  -7.392
   44    HD2  PHE   4           HD2      PHE   4   2.499   3.718  -7.710
   45    HE1  PHE   4           HE1      PHE   4   2.609   8.208  -9.717
   46    HE2  PHE   4           HE2      PHE   4   1.766   4.041 -10.036
   47    HZ   PHE   4           HZ       PHE   4   1.821   6.288 -11.044
   48    H    VAL   5           H        VAL   5   6.811   5.149  -4.955
   49    HA   VAL   5           HA       VAL   5   6.108   4.962  -2.113
   50    HB   VAL   5           HB       VAL   5   8.564   3.637  -3.266
   51   1HG1  VAL   5          1HG1      VAL   5   5.912   2.487  -2.458
   52   2HG1  VAL   5          2HG1      VAL   5   6.787   2.281  -3.975
   53   3HG1  VAL   5          3HG1      VAL   5   7.387   1.519  -2.503
   54   1HG2  VAL   5          1HG2      VAL   5   8.317   4.601  -0.793
   55   2HG2  VAL   5          2HG2      VAL   5   7.547   3.032  -0.553
   56   3HG2  VAL   5          3HG2      VAL   5   9.203   3.119  -1.153
   57    H    LYS   6           H        LYS   6   7.275   6.279  -0.778
   58    HA   LYS   6           HA       LYS   6   9.136   8.142  -2.089
   59   1HB   LYS   6          1HB       LYS   6   7.387   8.593   0.337
   60   2HB   LYS   6          2HB       LYS   6   8.533   9.757  -0.312
   61   1HG   LYS   6          1HG       LYS   6   7.256   9.847  -2.397
   62   2HG   LYS   6          2HG       LYS   6   6.100   8.692  -1.730
   63   1HD   LYS   6          1HD       LYS   6   5.549  10.269   0.055
   64   2HD   LYS   6          2HD       LYS   6   6.716  11.421  -0.598
   65   1HE   LYS   6          1HE       LYS   6   4.258  10.391  -2.009
   66   2HE   LYS   6          2HE       LYS   6   4.439  11.984  -1.274
   67   1HZ   LYS   6          1HZ       LYS   6   6.317  12.358  -2.839
   68   2HZ   LYS   6          2HZ       LYS   6   5.912  10.912  -3.615
   69   3HZ   LYS   6          3HZ       LYS   6   4.812  12.196  -3.596
   70    H    THR   7           H        THR   7  11.175   8.182  -1.408
   71    HA   THR   7           HA       THR   7  12.158   6.312   0.454
   72    HB   THR   7           HB       THR   7  14.321   7.456   0.208
   73    HG1  THR   7           HG1      THR   7  13.245   9.617   0.065
   74   1HG2  THR   7          1HG2      THR   7  12.681   6.490  -1.983
   75   2HG2  THR   7          2HG2      THR   7  13.909   7.630  -2.536
   76   3HG2  THR   7          3HG2      THR   7  14.385   6.190  -1.636
   77    H    LEU   8           H        LEU   8  14.093   7.950   1.858
   78    HA   LEU   8           HA       LEU   8  12.671   8.422   4.229
   79   1HB   LEU   8          1HB       LEU   8  15.343   9.598   3.465
   80   2HB   LEU   8          2HB       LEU   8  14.712   9.406   5.088
   81    HG   LEU   8           HG       LEU   8  15.601   7.225   3.203
   82   1HD1  LEU   8          1HD1      LEU   8  16.970   8.745   5.095
   83   2HD1  LEU   8          2HD1      LEU   8  16.664   7.193   5.875
   84   3HD1  LEU   8          3HD1      LEU   8  17.512   7.251   4.330
   85   1HD2  LEU   8          1HD2      LEU   8  13.593   7.092   5.198
   86   2HD2  LEU   8          2HD2      LEU   8  14.281   5.786   4.233
   87   3HD2  LEU   8          3HD2      LEU   8  15.011   6.220   5.776
   88    H    THR   9           H        THR   9  14.087  10.761   1.945
   89    HA   THR   9           HA       THR   9  12.903  13.013   3.242
   90    HB   THR   9           HB       THR   9  13.677  14.302   1.296
   91    HG1  THR   9           HG1      THR   9  13.468  12.977  -0.436
   92   1HG2  THR   9          1HG2      THR   9  15.547  12.353   2.601
   93   2HG2  THR   9          2HG2      THR   9  16.143  13.522   1.422
   94   3HG2  THR   9          3HG2      THR   9  15.357  14.081   2.899
   95    H    GLY  10           H        GLY  10  12.165  11.168   0.302
   96   1HA   GLY  10          1HA       GLY  10   9.665  12.678   0.001
   97   2HA   GLY  10          2HA       GLY  10   9.575  10.939   0.222
   98    H    LYS  11           H        LYS  11  11.936  10.338  -1.325
   99    HA   LYS  11           HA       LYS  11  11.506  11.394  -3.973
  100   1HB   LYS  11          1HB       LYS  11  13.765  10.831  -3.245
  101   2HB   LYS  11          2HB       LYS  11  13.288   9.159  -2.987
  102   1HG   LYS  11          1HG       LYS  11  12.810   8.964  -5.404
  103   2HG   LYS  11          2HG       LYS  11  13.412  10.606  -5.623
  104   1HD   LYS  11          1HD       LYS  11  15.591   9.917  -4.730
  105   2HD   LYS  11          2HD       LYS  11  14.984   8.272  -4.541
  106   1HE   LYS  11          1HE       LYS  11  16.304   8.488  -6.579
  107   2HE   LYS  11          2HE       LYS  11  14.621   8.117  -6.947
  108   1HZ   LYS  11          1HZ       LYS  11  15.484  10.923  -6.889
  109   2HZ   LYS  11          2HZ       LYS  11  15.864   9.978  -8.238
  110   3HZ   LYS  11          3HZ       LYS  11  14.247  10.199  -7.788
  111    H    THR  12           H        THR  12  10.169  10.603  -5.467
  112    HA   THR  12           HA       THR  12   8.517   8.342  -4.905
  113    HB   THR  12           HB       THR  12   8.818   9.904  -7.481
  114    HG1  THR  12           HG1      THR  12   6.801  10.851  -6.669
  115   1HG2  THR  12          1HG2      THR  12   7.205   7.578  -6.728
  116   2HG2  THR  12          2HG2      THR  12   6.268   8.905  -7.413
  117   3HG2  THR  12          3HG2      THR  12   7.606   8.208  -8.326
  118    H    ILE  13           H        ILE  13   8.689   6.269  -5.596
  119    HA   ILE  13           HA       ILE  13  10.750   5.645  -7.599
  120    HB   ILE  13           HB       ILE  13  11.785   3.985  -6.339
  121   1HG1  ILE  13          1HG1      ILE  13   9.401   4.091  -4.484
  122   2HG1  ILE  13          2HG1      ILE  13   9.829   2.784  -5.580
  123   1HG2  ILE  13          1HG2      ILE  13  11.386   6.526  -5.079
  124   2HG2  ILE  13          2HG2      ILE  13  11.586   5.274  -3.853
  125   3HG2  ILE  13          3HG2      ILE  13  12.821   5.500  -5.091
  126   1HD1  ILE  13          1HD1      ILE  13  12.029   3.228  -3.858
  127   2HD1  ILE  13          2HD1      ILE  13  10.564   3.141  -2.877
  128   3HD1  ILE  13          3HD1      ILE  13  10.977   1.817  -3.971
  129    H    THR  14           H        THR  14  10.231   4.039  -8.999
  130    HA   THR  14           HA       THR  14   7.532   2.934  -8.778
  131    HB   THR  14           HB       THR  14   8.660   2.085 -11.203
  132    HG1  THR  14           HG1      THR  14   9.218   4.281 -12.019
  133   1HG2  THR  14          1HG2      THR  14   6.495   3.761 -10.236
  134   2HG2  THR  14          2HG2      THR  14   7.123   4.311 -11.791
  135   3HG2  THR  14          3HG2      THR  14   6.542   2.653 -11.610
  136    H    LEU  15           H        LEU  15   7.098   0.745  -8.818
  137    HA   LEU  15           HA       LEU  15   9.182  -1.204  -9.122
  138   1HB   LEU  15          1HB       LEU  15   9.569  -0.334  -6.826
  139   2HB   LEU  15          2HB       LEU  15   7.944  -0.813  -6.392
  140    HG   LEU  15           HG       LEU  15  10.090  -2.747  -7.261
  141   1HD1  LEU  15          1HD1      LEU  15   9.221  -1.808  -4.543
  142   2HD1  LEU  15          2HD1      LEU  15  10.030  -3.355  -4.796
  143   3HD1  LEU  15          3HD1      LEU  15  10.850  -1.852  -5.219
  144   1HD2  LEU  15          1HD2      LEU  15   7.266  -3.004  -6.353
  145   2HD2  LEU  15          2HD2      LEU  15   8.129  -3.873  -7.625
  146   3HD2  LEU  15          3HD2      LEU  15   8.430  -4.264  -5.931
  147    H    GLU  16           H        GLU  16   8.153  -2.681 -10.280
  148    HA   GLU  16           HA       GLU  16   5.300  -3.063 -10.017
  149   1HB   GLU  16          1HB       GLU  16   5.527  -4.454 -12.026
  150   2HB   GLU  16          2HB       GLU  16   6.280  -2.877 -12.239
  151   1HG   GLU  16          1HG       GLU  16   8.473  -3.861 -11.836
  152   2HG   GLU  16          2HG       GLU  16   7.730  -5.438 -11.602
  153    H    VAL  17           H        VAL  17   4.283  -4.796  -9.214
  154    HA   VAL  17           HA       VAL  17   5.633  -7.287  -8.664
  155    HB   VAL  17           HB       VAL  17   4.857  -7.235  -6.228
  156   1HG1  VAL  17          1HG1      VAL  17   3.530  -5.141  -6.523
  157   2HG1  VAL  17          2HG1      VAL  17   4.632  -5.136  -5.146
  158   3HG1  VAL  17          3HG1      VAL  17   5.059  -4.264  -6.620
  159   1HG2  VAL  17          1HG2      VAL  17   7.179  -5.583  -7.170
  160   2HG2  VAL  17          2HG2      VAL  17   6.925  -6.053  -5.489
  161   3HG2  VAL  17          3HG2      VAL  17   7.176  -7.288  -6.722
  162    H    GLU  18           H        GLU  18   4.176  -8.983  -8.118
  163    HA   GLU  18           HA       GLU  18   1.583  -8.647  -9.260
  164   1HB   GLU  18          1HB       GLU  18   2.767 -10.988  -7.760
  165   2HB   GLU  18          2HB       GLU  18   1.264 -11.023  -8.672
  166   1HG   GLU  18          1HG       GLU  18   2.486 -10.543 -10.724
  167   2HG   GLU  18          2HG       GLU  18   3.996 -10.481  -9.813
  168    HA   PRO  19           HA       PRO  19  -0.730  -7.290  -5.739
  169   1HB   PRO  19          1HB       PRO  19  -3.087  -8.619  -6.372
  170   2HB   PRO  19          2HB       PRO  19  -2.623  -7.030  -6.968
  171   1HG   PRO  19          1HG       PRO  19  -2.363  -9.695  -8.279
  172   2HG   PRO  19          2HG       PRO  19  -2.826  -8.139  -8.989
  173   1HD   PRO  19          1HD       PRO  19  -0.373  -9.116  -9.344
  174   2HD   PRO  19          2HD       PRO  19  -0.629  -7.382  -9.056
  175    H    SER  20           H        SER  20  -0.668 -10.682  -6.682
  176    HA   SER  20           HA       SER  20  -1.737 -11.759  -4.308
  177   1HB   SER  20          1HB       SER  20   0.175 -12.982  -6.314
  178   2HB   SER  20          2HB       SER  20  -0.660 -13.878  -5.046
  179    HG   SER  20           HG       SER  20  -2.311 -13.975  -6.314
  180    H    ASP  21           H        ASP  21   1.454 -10.689  -5.221
  181    HA   ASP  21           HA       ASP  21   2.980 -11.915  -3.239
  182   1HB   ASP  21          1HB       ASP  21   3.292  -9.326  -4.749
  183   2HB   ASP  21          2HB       ASP  21   4.465  -9.825  -3.532
  184    H    THR  22           H        THR  22   3.156 -11.661  -1.121
  185    HA   THR  22           HA       THR  22   1.333 -10.219   0.402
  186    HB   THR  22           HB       THR  22   2.783 -10.675   2.335
  187    HG1  THR  22           HG1      THR  22   4.853 -10.667   1.865
  188   1HG2  THR  22          1HG2      THR  22   1.315 -12.442   1.478
  189   2HG2  THR  22          2HG2      THR  22   2.612 -13.002   0.423
  190   3HG2  THR  22          3HG2      THR  22   2.793 -13.105   2.174
  191    H    ILE  23           H        ILE  23   1.522  -8.397   1.729
  192    HA   ILE  23           HA       ILE  23   2.711  -6.132   0.598
  193    HB   ILE  23           HB       ILE  23   1.890  -6.545   3.481
  194   1HG1  ILE  23          1HG1      ILE  23   0.354  -5.378   1.147
  195   2HG1  ILE  23          2HG1      ILE  23   0.061  -6.953   1.878
  196   1HG2  ILE  23          1HG2      ILE  23   3.294  -4.424   2.326
  197   2HG2  ILE  23          2HG2      ILE  23   1.632  -3.856   2.490
  198   3HG2  ILE  23          3HG2      ILE  23   2.503  -4.451   3.902
  199   1HD1  ILE  23          1HD1      ILE  23  -0.158  -4.369   3.394
  200   2HD1  ILE  23          2HD1      ILE  23  -1.513  -5.135   2.564
  201   3HD1  ILE  23          3HD1      ILE  23  -0.706  -5.970   3.892
  202    H    GLU  24           H        GLU  24   3.856  -8.480   2.882
  203    HA   GLU  24           HA       GLU  24   6.081  -7.092   3.892
  204   1HB   GLU  24          1HB       GLU  24   5.371  -8.972   5.107
  205   2HB   GLU  24          2HB       GLU  24   5.325  -9.991   3.678
  206   1HG   GLU  24          1HG       GLU  24   7.717 -10.034   3.572
  207   2HG   GLU  24          2HG       GLU  24   7.831  -8.901   4.918
  208    H    ASN  25           H        ASN  25   5.600  -9.107   1.043
  209    HA   ASN  25           HA       ASN  25   8.365  -9.233   0.336
  210   1HB   ASN  25          1HB       ASN  25   5.873  -9.771  -1.288
  211   2HB   ASN  25          2HB       ASN  25   7.510 -10.102  -1.839
  212   1HD2  ASN  25          2HD2      ASN  25   7.565 -10.634   1.386
  213   2HD2  ASN  25          1HD2      ASN  25   7.222 -12.327   1.409
  214    H    VAL  26           H        VAL  26   5.607  -7.322  -0.861
  215    HA   VAL  26           HA       VAL  26   6.957  -5.945  -2.868
  216    HB   VAL  26           HB       VAL  26   5.206  -4.254  -2.730
  217   1HG1  VAL  26          1HG1      VAL  26   4.896  -6.818  -3.461
  218   2HG1  VAL  26          2HG1      VAL  26   3.631  -6.693  -2.238
  219   3HG1  VAL  26          3HG1      VAL  26   3.633  -5.598  -3.621
  220   1HG2  VAL  26          1HG2      VAL  26   5.072  -4.100  -0.279
  221   2HG2  VAL  26          2HG2      VAL  26   3.489  -4.309  -1.028
  222   3HG2  VAL  26          3HG2      VAL  26   4.280  -5.675  -0.242
  223    H    LYS  27           H        LYS  27   6.570  -5.145   0.565
  224    HA   LYS  27           HA       LYS  27   7.978  -2.672   0.375
  225   1HB   LYS  27          1HB       LYS  27   7.366  -4.382   2.793
  226   2HB   LYS  27          2HB       LYS  27   7.983  -2.738   2.847
  227   1HG   LYS  27          1HG       LYS  27   5.937  -1.993   1.650
  228   2HG   LYS  27          2HG       LYS  27   5.314  -3.637   1.786
  229   1HD   LYS  27          1HD       LYS  27   6.064  -1.840   4.092
  230   2HD   LYS  27          2HD       LYS  27   4.422  -2.179   3.543
  231   1HE   LYS  27          1HE       LYS  27   4.765  -4.561   4.042
  232   2HE   LYS  27          2HE       LYS  27   6.384  -4.191   4.630
  233   1HZ   LYS  27          1HZ       LYS  27   4.039  -2.835   5.787
  234   2HZ   LYS  27          2HZ       LYS  27   4.471  -4.385   6.310
  235   3HZ   LYS  27          3HZ       LYS  27   5.561  -3.102   6.473
  236    H    ALA  28           H        ALA  28   8.872  -5.990   1.087
  237    HA   ALA  28           HA       ALA  28  11.407  -5.611   2.161
  238   1HB   ALA  28          1HB       ALA  28  11.405  -7.876   0.393
  239   2HB   ALA  28          2HB       ALA  28   9.888  -7.788   1.287
  240   3HB   ALA  28          3HB       ALA  28  11.421  -7.829   2.155
  241    H    LYS  29           H        LYS  29  10.367  -5.634  -1.213
  242    HA   LYS  29           HA       LYS  29  12.956  -5.561  -2.366
  243   1HB   LYS  29          1HB       LYS  29  10.468  -4.342  -3.569
  244   2HB   LYS  29          2HB       LYS  29  11.857  -5.012  -4.410
  245   1HG   LYS  29          1HG       LYS  29  11.251  -7.248  -3.633
  246   2HG   LYS  29          2HG       LYS  29   9.857  -6.568  -2.789
  247   1HD   LYS  29          1HD       LYS  29   9.158  -7.516  -4.907
  248   2HD   LYS  29          2HD       LYS  29   8.974  -5.764  -4.943
  249   1HE   LYS  29          1HE       LYS  29  11.084  -5.566  -6.166
  250   2HE   LYS  29          2HE       LYS  29  11.270  -7.319  -6.127
  251   1HZ   LYS  29          1HZ       LYS  29   9.053  -5.853  -7.453
  252   2HZ   LYS  29          2HZ       LYS  29  10.372  -6.561  -8.240
  253   3HZ   LYS  29          3HZ       LYS  29   9.251  -7.534  -7.429
  254    H    ILE  30           H        ILE  30  10.688  -3.123  -1.250
  255    HA   ILE  30           HA       ILE  30  11.915  -0.828  -2.222
  256    HB   ILE  30           HB       ILE  30  10.495  -1.187   0.423
  257   1HG1  ILE  30          1HG1      ILE  30   9.140  -1.860  -1.522
  258   2HG1  ILE  30          2HG1      ILE  30   8.504  -0.404  -0.767
  259   1HG2  ILE  30          1HG2      ILE  30  11.931   0.892   0.116
  260   2HG2  ILE  30          2HG2      ILE  30  10.781   1.371  -1.131
  261   3HG2  ILE  30          3HG2      ILE  30  10.237   1.151   0.532
  262   1HD1  ILE  30          1HD1      ILE  30   9.648   0.929  -2.522
  263   2HD1  ILE  30          2HD1      ILE  30  10.091  -0.584  -3.312
  264   3HD1  ILE  30          3HD1      ILE  30   8.392  -0.148  -3.132
  265    H    GLN  31           H        GLN  31  12.743  -2.924   0.449
  266    HA   GLN  31           HA       GLN  31  14.593  -1.275   1.791
  267   1HB   GLN  31          1HB       GLN  31  14.716  -4.283   1.453
  268   2HB   GLN  31          2HB       GLN  31  15.486  -3.338   2.721
  269   1HG   GLN  31          1HG       GLN  31  13.353  -2.774   3.668
  270   2HG   GLN  31          2HG       GLN  31  12.513  -3.564   2.331
  271   1HE2  GLN  31          2HE2      GLN  31  13.592  -3.918   5.427
  272   2HE2  GLN  31          1HE2      GLN  31  13.551  -5.640   5.550
  273    H    ASP  32           H        ASP  32  14.964  -3.755  -0.693
  274    HA   ASP  32           HA       ASP  32  17.703  -3.409  -1.160
  275   1HB   ASP  32          1HB       ASP  32  16.409  -5.369  -1.945
  276   2HB   ASP  32          2HB       ASP  32  15.575  -4.336  -3.101
  277    H    LYS  33           H        LYS  33  14.851  -1.827  -2.350
  278    HA   LYS  33           HA       LYS  33  15.992  -0.363  -4.465
  279   1HB   LYS  33          1HB       LYS  33  13.523   0.083  -2.789
  280   2HB   LYS  33          2HB       LYS  33  13.945   1.099  -4.162
  281   1HG   LYS  33          1HG       LYS  33  13.426  -1.867  -4.259
  282   2HG   LYS  33          2HG       LYS  33  12.299  -0.603  -4.753
  283   1HD   LYS  33          1HD       LYS  33  13.866   0.127  -6.482
  284   2HD   LYS  33          2HD       LYS  33  15.003  -1.128  -5.985
  285   1HE   LYS  33          1HE       LYS  33  13.364  -2.846  -6.567
  286   2HE   LYS  33          2HE       LYS  33  12.222  -1.595  -7.055
  287   1HZ   LYS  33          1HZ       LYS  33  13.774  -0.904  -8.776
  288   2HZ   LYS  33          2HZ       LYS  33  14.865  -2.108  -8.309
  289   3HZ   LYS  33          3HZ       LYS  33  13.362  -2.534  -8.960
  290    H    GLU  34           H        GLU  34  15.794   0.227  -1.007
  291    HA   GLU  34           HA       GLU  34  17.615   2.480  -1.351
  292   1HB   GLU  34          1HB       GLU  34  15.388   3.504  -1.312
  293   2HB   GLU  34          2HB       GLU  34  15.037   2.701   0.212
  294   1HG   GLU  34          1HG       GLU  34  15.602   4.987   0.637
  295   2HG   GLU  34          2HG       GLU  34  16.883   3.951   1.263
  296    H    GLY  35           H        GLY  35  15.702   1.117   1.364
  297   1HA   GLY  35          1HA       GLY  35  18.212   0.954   2.885
  298   2HA   GLY  35          2HA       GLY  35  17.243  -0.498   2.704
  299    H    ILE  36           H        ILE  36  14.777   0.020   3.266
  300    HA   ILE  36           HA       ILE  36  14.854   1.028   5.987
  301    HB   ILE  36           HB       ILE  36  12.446   2.036   5.206
  302   1HG1  ILE  36          1HG1      ILE  36  12.911   3.452   3.212
  303   2HG1  ILE  36          2HG1      ILE  36  14.430   2.593   2.986
  304   1HG2  ILE  36          1HG2      ILE  36  15.063   3.063   5.950
  305   2HG2  ILE  36          2HG2      ILE  36  14.114   4.208   5.000
  306   3HG2  ILE  36          3HG2      ILE  36  13.455   3.543   6.495
  307   1HD1  ILE  36          1HD1      ILE  36  12.046   0.891   3.134
  308   2HD1  ILE  36          2HD1      ILE  36  12.137   1.967   1.738
  309   3HD1  ILE  36          3HD1      ILE  36  13.438   0.819   2.052
  310    HA   PRO  37           HA       PRO  37  12.727  -2.787   6.859
  311   1HB   PRO  37          1HB       PRO  37  11.541  -0.865   8.835
  312   2HB   PRO  37          2HB       PRO  37  12.061  -2.538   9.085
  313   1HG   PRO  37          1HG       PRO  37  13.630  -0.528   9.826
  314   2HG   PRO  37          2HG       PRO  37  14.321  -1.968   9.056
  315   1HD   PRO  37          1HD       PRO  37  13.946   0.761   7.963
  316   2HD   PRO  37          2HD       PRO  37  15.138  -0.477   7.527
  317    HA   PRO  38           HA       PRO  38   8.906  -2.328   4.633
  318   1HB   PRO  38          1HB       PRO  38   8.020  -4.693   6.178
  319   2HB   PRO  38          2HB       PRO  38   8.138  -4.470   4.431
  320   1HG   PRO  38          1HG       PRO  38   9.885  -6.004   5.741
  321   2HG   PRO  38          2HG       PRO  38  10.395  -4.983   4.383
  322   1HD   PRO  38          1HD       PRO  38  10.726  -4.530   7.324
  323   2HD   PRO  38          2HD       PRO  38  11.866  -4.215   6.001
  324    H    ASP  39           H        ASP  39   8.785  -3.016   8.113
  325    HA   ASP  39           HA       ASP  39   6.116  -2.322   8.553
  326   1HB   ASP  39          1HB       ASP  39   6.795  -1.990  10.918
  327   2HB   ASP  39          2HB       ASP  39   7.395  -3.499  10.239
  328    H    GLN  40           H        GLN  40   9.009  -0.346   8.338
  329    HA   GLN  40           HA       GLN  40   7.949   2.038   9.360
  330   1HB   GLN  40          1HB       GLN  40  10.128   1.568   7.326
  331   2HB   GLN  40          2HB       GLN  40   9.770   3.137   8.035
  332   1HG   GLN  40          1HG       GLN  40  10.434   2.426  10.184
  333   2HG   GLN  40          2HG       GLN  40  10.476   0.736   9.689
  334   1HE2  GLN  40          2HE2      GLN  40  11.667   2.205   7.107
  335   2HE2  GLN  40          1HE2      GLN  40  13.352   2.222   7.480
  336    H    GLN  41           H        GLN  41   8.021   0.738   6.065
  337    HA   GLN  41           HA       GLN  41   6.994   2.959   4.728
  338   1HB   GLN  41          1HB       GLN  41   6.660   0.021   4.109
  339   2HB   GLN  41          2HB       GLN  41   6.271   1.325   2.994
  340   1HG   GLN  41          1HG       GLN  41   8.586   2.030   2.964
  341   2HG   GLN  41          2HG       GLN  41   8.999   0.794   4.150
  342   1HE2  GLN  41          2HE2      GLN  41  10.027  -0.829   3.270
  343   2HE2  GLN  41          1HE2      GLN  41   9.725  -1.509   1.711
  344    H    ARG  42           H        ARG  42   5.071   3.907   4.722
  345    HA   ARG  42           HA       ARG  42   2.922   2.734   6.234
  346   1HB   ARG  42          1HB       ARG  42   3.463   5.080   6.602
  347   2HB   ARG  42          2HB       ARG  42   3.157   5.432   4.907
  348   1HG   ARG  42          1HG       ARG  42   0.814   4.862   5.190
  349   2HG   ARG  42          2HG       ARG  42   1.106   4.448   6.879
  350   1HD   ARG  42          1HD       ARG  42   1.555   7.177   5.677
  351   2HD   ARG  42          2HD       ARG  42   0.108   6.698   6.560
  352    HE   ARG  42           HE       ARG  42   1.275   6.868   8.533
  353   1HH1  ARG  42          1HH1      ARG  42   3.490   7.134   5.851
  354   2HH1  ARG  42          2HH1      ARG  42   4.840   7.562   6.847
  355   1HH2  ARG  42          1HH2      ARG  42   3.046   7.434   9.843
  356   2HH2  ARG  42          2HH2      ARG  42   4.589   7.732   9.114
  357    H    LEU  43           H        LEU  43   1.219   1.720   5.415
  358    HA   LEU  43           HA       LEU  43   0.984   1.344   2.581
  359   1HB   LEU  43          1HB       LEU  43  -0.698   0.438   4.911
  360   2HB   LEU  43          2HB       LEU  43  -1.104   0.065   3.252
  361    HG   LEU  43           HG       LEU  43   0.019  -1.813   4.350
  362   1HD1  LEU  43          1HD1      LEU  43   2.338   0.089   4.643
  363   2HD1  LEU  43          2HD1      LEU  43   1.375  -0.602   5.949
  364   3HD1  LEU  43          3HD1      LEU  43   2.391  -1.647   4.957
  365   1HD2  LEU  43          1HD2      LEU  43   1.218  -0.432   2.015
  366   2HD2  LEU  43          2HD2      LEU  43   2.082  -1.814   2.690
  367   3HD2  LEU  43          3HD2      LEU  43   0.423  -2.004   2.122
  368    H    ILE  44           H        ILE  44  -0.300   2.385   1.181
  369    HA   ILE  44           HA       ILE  44  -2.524   3.985   2.187
  370    HB   ILE  44           HB       ILE  44  -0.331   5.126   0.461
  371   1HG1  ILE  44          1HG1      ILE  44  -1.271   5.846   3.246
  372   2HG1  ILE  44          2HG1      ILE  44   0.215   4.985   2.860
  373   1HG2  ILE  44          1HG2      ILE  44  -2.978   6.283   1.318
  374   2HG2  ILE  44          2HG2      ILE  44  -1.658   7.237   0.640
  375   3HG2  ILE  44          3HG2      ILE  44  -2.422   5.976  -0.327
  376   1HD1  ILE  44          1HD1      ILE  44   0.144   7.424   1.392
  377   2HD1  ILE  44          2HD1      ILE  44  -0.178   7.749   3.096
  378   3HD1  ILE  44          3HD1      ILE  44   1.289   6.891   2.623
  379    H    PHE  45           H        PHE  45  -4.250   4.027   0.858
  380    HA   PHE  45           HA       PHE  45  -3.928   3.008  -1.884
  381   1HB   PHE  45          1HB       PHE  45  -6.187   2.257  -0.017
  382   2HB   PHE  45          2HB       PHE  45  -5.927   1.654  -1.650
  383    HD1  PHE  45           HD1      PHE  45  -4.322   1.759   1.708
  384    HD2  PHE  45           HD2      PHE  45  -4.789  -0.326  -1.972
  385    HE1  PHE  45           HE1      PHE  45  -3.025  -0.122   2.616
  386    HE2  PHE  45           HE2      PHE  45  -3.495  -2.212  -1.070
  387    HZ   PHE  45           HZ       PHE  45  -2.610  -2.114   1.226
  388    H    ALA  46           H        ALA  46  -5.216   3.974  -3.449
  389    HA   ALA  46           HA       ALA  46  -7.398   5.712  -2.641
  390   1HB   ALA  46          1HB       ALA  46  -6.250   7.604  -2.580
  391   2HB   ALA  46          2HB       ALA  46  -5.887   7.400  -4.293
  392   3HB   ALA  46          3HB       ALA  46  -4.775   6.775  -3.076
  393    H    GLY  47           H        GLY  47  -8.971   5.453  -4.063
  394   1HA   GLY  47          1HA       GLY  47 -10.059   4.723  -5.968
  395   2HA   GLY  47          2HA       GLY  47  -8.514   4.180  -6.598
  396    H    LYS  48           H        LYS  48 -10.908   5.910  -7.568
  397    HA   LYS  48           HA       LYS  48  -9.386   7.559  -9.323
  398   1HB   LYS  48          1HB       LYS  48 -11.597   6.549  -9.907
  399   2HB   LYS  48          2HB       LYS  48 -12.354   7.667  -8.781
  400   1HG   LYS  48          1HG       LYS  48 -12.562   8.465 -11.062
  401   2HG   LYS  48          2HG       LYS  48 -11.553   9.555 -10.111
  402   1HD   LYS  48          1HD       LYS  48  -9.545   8.533 -11.062
  403   2HD   LYS  48          2HD       LYS  48 -10.550   7.433 -12.007
  404   1HE   LYS  48          1HE       LYS  48 -10.529  10.440 -12.238
  405   2HE   LYS  48          2HE       LYS  48  -9.754   9.315 -13.353
  406   1HZ   LYS  48          1HZ       LYS  48 -12.445   8.580 -13.048
  407   2HZ   LYS  48          2HZ       LYS  48 -12.383  10.233 -13.397
  408   3HZ   LYS  48          3HZ       LYS  48 -11.652   9.120 -14.441
  409    H    GLN  49           H        GLN  49  -8.175   8.664  -7.660
  410    HA   GLN  49           HA       GLN  49  -9.408  10.565  -5.974
  411   1HB   GLN  49          1HB       GLN  49  -7.126  11.528  -5.800
  412   2HB   GLN  49          2HB       GLN  49  -7.166   9.795  -5.518
  413   1HG   GLN  49          1HG       GLN  49  -6.335   9.384  -7.757
  414   2HG   GLN  49          2HG       GLN  49  -6.339  11.116  -8.089
  415   1HE2  GLN  49          2HE2      GLN  49  -4.455  12.067  -7.899
  416   2HE2  GLN  49          1HE2      GLN  49  -3.155  11.567  -6.879
  417    H    LEU  50           H        LEU  50 -10.831  11.820  -7.044
  418    HA   LEU  50           HA       LEU  50 -10.806  12.849  -9.545
  419   1HB   LEU  50          1HB       LEU  50 -11.689  14.385  -7.110
  420   2HB   LEU  50          2HB       LEU  50 -12.266  14.600  -8.750
  421    HG   LEU  50           HG       LEU  50 -12.635  12.066  -7.157
  422   1HD1  LEU  50          1HD1      LEU  50 -13.350  12.945  -9.887
  423   2HD1  LEU  50          2HD1      LEU  50 -12.953  11.336  -9.273
  424   3HD1  LEU  50          3HD1      LEU  50 -14.559  12.019  -8.998
  425   1HD2  LEU  50          1HD2      LEU  50 -13.998  14.586  -6.966
  426   2HD2  LEU  50          2HD2      LEU  50 -15.099  13.326  -7.547
  427   3HD2  LEU  50          3HD2      LEU  50 -14.225  13.104  -6.021
  428    H    GLU  51           H        GLU  51  -8.573  13.215 -10.035
  429    HA   GLU  51           HA       GLU  51  -6.759  14.520 -10.451
  430   1HB   GLU  51          1HB       GLU  51  -8.418  16.019 -11.394
  431   2HB   GLU  51          2HB       GLU  51  -8.741  16.709  -9.811
  432   1HG   GLU  51          1HG       GLU  51  -6.481  17.615  -9.734
  433   2HG   GLU  51          2HG       GLU  51  -6.135  16.899 -11.306
  434    H1   GLY  -1           H1       GLY  -1  -1.595  -6.491  17.467
  435    H2   GLY  -1           H2       GLY  -1  -2.745  -5.277  17.206
  436    H3   GLY  -1           H3       GLY  -1  -3.043  -6.493  18.342
  437   1HA   GLY  -1          1HA       GLY  -1  -4.292  -6.841  16.278
  438   2HA   GLY  -1          2HA       GLY  -1  -3.191  -8.157  16.649
  439    H    SER   0           H        SER   0  -4.381  -6.849  14.121
  440    HA   SER   0           HA       SER   0  -2.183  -7.423  12.427
  441   1HB   SER   0          1HB       SER   0  -4.814  -6.061  11.805
  442   2HB   SER   0          2HB       SER   0  -3.678  -6.675  10.604
  443    HG   SER   0           HG       SER   0  -5.573  -8.040  11.444
  444    H    MET   1           H        MET   1  -3.415  -4.819  10.894
  445    HA   MET   1           HA       MET   1  -1.922  -2.723  12.175
  446   1HB   MET   1          1HB       MET   1  -0.447  -2.341  10.171
  447   2HB   MET   1          2HB       MET   1  -0.047  -3.755  11.133
  448   1HG   MET   1          1HG       MET   1  -1.066  -5.209   9.526
  449   2HG   MET   1          2HG       MET   1  -1.676  -3.832   8.608
  450   1HE   MET   1          1HE       MET   1  -0.241  -1.975   7.995
  451   2HE   MET   1          2HE       MET   1   1.502  -1.944   8.273
  452   3HE   MET   1          3HE       MET   1   0.869  -2.389   6.688
  453    H    GLN   2           H        GLN   2  -3.206  -1.029  11.950
  454    HA   GLN   2           HA       GLN   2  -5.280  -0.827  10.070
  455   1HB   GLN   2          1HB       GLN   2  -5.559   1.456  10.879
  456   2HB   GLN   2          2HB       GLN   2  -5.286   0.360  12.224
  457   1HG   GLN   2          1HG       GLN   2  -2.903   1.060  12.234
  458   2HG   GLN   2          2HG       GLN   2  -3.298   2.251  10.998
  459   1HE2  GLN   2          2HE2      GLN   2  -5.953   1.974  12.919
  460   2HE2  GLN   2          1HE2      GLN   2  -5.643   3.262  14.023
  461    H    ILE   3           H        ILE   3  -5.334  -0.133   8.035
  462    HA   ILE   3           HA       ILE   3  -2.880   0.972   6.878
  463    HB   ILE   3           HB       ILE   3  -3.876   0.389   4.689
  464   1HG1  ILE   3          1HG1      ILE   3  -6.053  -0.887   6.358
  465   2HG1  ILE   3          2HG1      ILE   3  -6.245   0.543   5.351
  466   1HG2  ILE   3          1HG2      ILE   3  -2.491  -1.183   6.248
  467   2HG2  ILE   3          2HG2      ILE   3  -3.999  -2.093   6.337
  468   3HG2  ILE   3          3HG2      ILE   3  -3.228  -1.815   4.775
  469   1HD1  ILE   3          1HD1      ILE   3  -5.164  -1.494   3.724
  470   2HD1  ILE   3          2HD1      ILE   3  -6.507  -2.186   4.634
  471   3HD1  ILE   3          3HD1      ILE   3  -6.762  -0.750   3.642
  472    H    PHE   4           H        PHE   4  -2.818   2.936   5.904
  473    HA   PHE   4           HA       PHE   4  -5.095   4.689   6.347
  474   1HB   PHE   4          1HB       PHE   4  -2.293   5.240   5.352
  475   2HB   PHE   4          2HB       PHE   4  -3.525   6.476   5.562
  476    HD1  PHE   4           HD1      PHE   4  -3.102   7.795   7.363
  477    HD2  PHE   4           HD2      PHE   4  -2.311   3.626   7.652
  478    HE1  PHE   4           HE1      PHE   4  -2.410   8.093   9.704
  479    HE2  PHE   4           HE2      PHE   4  -1.621   3.913   9.995
  480    HZ   PHE   4           HZ       PHE   4  -1.670   6.151  11.025
  481    H    VAL   5           H        VAL   5  -6.527   5.147   4.802
  482    HA   VAL   5           HA       VAL   5  -5.709   5.213   2.025
  483    HB   VAL   5           HB       VAL   5  -6.254   2.964   1.955
  484   1HG1  VAL   5          1HG1      VAL   5  -8.038   3.632   4.169
  485   2HG1  VAL   5          2HG1      VAL   5  -8.678   2.419   3.062
  486   3HG1  VAL   5          3HG1      VAL   5  -7.121   2.160   3.849
  487   1HG2  VAL   5          1HG2      VAL   5  -8.101   4.769   0.799
  488   2HG2  VAL   5          2HG2      VAL   5  -7.647   3.160   0.243
  489   3HG2  VAL   5          3HG2      VAL   5  -9.002   3.358   1.351
  490    H    LYS   6           H        LYS   6  -6.904   6.540   0.779
  491    HA   LYS   6           HA       LYS   6  -8.960   8.099   2.160
  492   1HB   LYS   6          1HB       LYS   6  -7.410   8.721  -0.358
  493   2HB   LYS   6          2HB       LYS   6  -8.557   9.795   0.432
  494   1HG   LYS   6          1HG       LYS   6  -7.137   9.898   2.399
  495   2HG   LYS   6          2HG       LYS   6  -5.989   8.790   1.641
  496   1HD   LYS   6          1HD       LYS   6  -5.615  10.412  -0.152
  497   2HD   LYS   6          2HD       LYS   6  -6.755  11.521   0.613
  498   1HE   LYS   6          1HE       LYS   6  -4.175  10.519   1.814
  499   2HE   LYS   6          2HE       LYS   6  -4.448  12.125   1.138
  500   1HZ   LYS   6          1HZ       LYS   6  -6.194  12.437   2.845
  501   2HZ   LYS   6          2HZ       LYS   6  -5.744  10.963   3.543
  502   3HZ   LYS   6          3HZ       LYS   6  -4.644  12.248   3.498
  503    H    THR   7           H        THR   7 -11.021   8.228   1.455
  504    HA   THR   7           HA       THR   7 -12.007   6.244  -0.320
  505    HB   THR   7           HB       THR   7 -14.199   7.317  -0.010
  506    HG1  THR   7           HG1      THR   7 -13.263   9.513   0.071
  507   1HG2  THR   7          1HG2      THR   7 -12.467   6.393   2.113
  508   2HG2  THR   7          2HG2      THR   7 -13.677   7.521   2.720
  509   3HG2  THR   7          3HG2      THR   7 -14.180   6.074   1.845
  510    H    LEU   8           H        LEU   8 -14.054   7.775  -1.628
  511    HA   LEU   8           HA       LEU   8 -12.835   8.281  -4.089
  512   1HB   LEU   8          1HB       LEU   8 -15.499   9.186  -3.001
  513   2HB   LEU   8          2HB       LEU   8 -15.019   9.350  -4.680
  514    HG   LEU   8           HG       LEU   8 -15.079   6.675  -3.302
  515   1HD1  LEU   8          1HD1      LEU   8 -14.828   7.658  -6.103
  516   2HD1  LEU   8          2HD1      LEU   8 -13.901   6.419  -5.256
  517   3HD1  LEU   8          3HD1      LEU   8 -15.547   6.078  -5.789
  518   1HD2  LEU   8          1HD2      LEU   8 -17.315   8.316  -3.926
  519   2HD2  LEU   8          2HD2      LEU   8 -17.284   6.944  -5.033
  520   3HD2  LEU   8          3HD2      LEU   8 -17.286   6.671  -3.291
  521    H    THR   9           H        THR   9 -14.126  10.613  -1.713
  522    HA   THR   9           HA       THR   9 -13.064  12.868  -3.136
  523    HB   THR   9           HB       THR   9 -13.774  14.186  -1.172
  524    HG1  THR   9           HG1      THR   9 -13.523  12.895   0.572
  525   1HG2  THR   9          1HG2      THR   9 -15.675  12.222  -2.407
  526   2HG2  THR   9          2HG2      THR   9 -16.238  13.395  -1.218
  527   3HG2  THR   9          3HG2      THR   9 -15.500  13.948  -2.720
  528    H    GLY  10           H        GLY  10 -12.205  11.124  -0.171
  529   1HA   GLY  10          1HA       GLY  10  -9.731  12.683   0.038
  530   2HA   GLY  10          2HA       GLY  10  -9.597  10.947  -0.188
  531    H    LYS  11           H        LYS  11 -11.955  10.352   1.428
  532    HA   LYS  11           HA       LYS  11 -11.438  11.387   4.065
  533   1HB   LYS  11          1HB       LYS  11 -13.718  10.827   3.400
  534   2HB   LYS  11          2HB       LYS  11 -13.249   9.155   3.126
  535   1HG   LYS  11          1HG       LYS  11 -12.717   8.939   5.522
  536   2HG   LYS  11          2HG       LYS  11 -13.277  10.593   5.771
  537   1HD   LYS  11          1HD       LYS  11 -15.499   9.958   4.955
  538   2HD   LYS  11          2HD       LYS  11 -14.936   8.304   4.722
  539   1HE   LYS  11          1HE       LYS  11 -16.179   8.526   6.810
  540   2HE   LYS  11          2HE       LYS  11 -14.493   8.104   7.110
  541   1HZ   LYS  11          1HZ       LYS  11 -15.285  10.932   7.123
  542   2HZ   LYS  11          2HZ       LYS  11 -15.637   9.977   8.474
  543   3HZ   LYS  11          3HZ       LYS  11 -14.034  10.164   7.964
  544    H    THR  12           H        THR  12 -10.093  10.579   5.541
  545    HA   THR  12           HA       THR  12  -8.444   8.325   4.929
  546    HB   THR  12           HB       THR  12  -8.689   9.870   7.520
  547    HG1  THR  12           HG1      THR  12  -6.653  10.785   6.642
  548   1HG2  THR  12          1HG2      THR  12  -7.097   7.547   6.722
  549   2HG2  THR  12          2HG2      THR  12  -6.134   8.875   7.371
  550   3HG2  THR  12          3HG2      THR  12  -7.443   8.184   8.330
  551    H    ILE  13           H        ILE  13  -8.556   6.261   5.667
  552    HA   ILE  13           HA       ILE  13 -10.512   5.601   7.740
  553    HB   ILE  13           HB       ILE  13 -11.887   5.194   5.898
  554   1HG1  ILE  13          1HG1      ILE  13 -10.465   2.618   6.585
  555   2HG1  ILE  13          2HG1      ILE  13 -11.913   3.271   7.343
  556   1HG2  ILE  13          1HG2      ILE  13  -9.784   5.342   4.338
  557   2HG2  ILE  13          2HG2      ILE  13  -9.908   3.582   4.379
  558   3HG2  ILE  13          3HG2      ILE  13 -11.265   4.550   3.801
  559   1HD1  ILE  13          1HD1      ILE  13 -11.827   2.516   4.445
  560   2HD1  ILE  13          2HD1      ILE  13 -12.232   1.365   5.716
  561   3HD1  ILE  13          3HD1      ILE  13 -13.237   2.792   5.467
  562    H    THR  14           H        THR  14  -9.664   4.283   9.176
  563    HA   THR  14           HA       THR  14  -7.153   2.946   8.627
  564    HB   THR  14           HB       THR  14  -7.539   2.145  11.083
  565    HG1  THR  14           HG1      THR  14  -8.818   4.175  11.971
  566   1HG2  THR  14          1HG2      THR  14  -6.274   4.344   9.914
  567   2HG2  THR  14          2HG2      THR  14  -7.125   4.986  11.321
  568   3HG2  THR  14          3HG2      THR  14  -5.974   3.662  11.513
  569    H    LEU  15           H        LEU  15  -6.798   0.735   8.773
  570    HA   LEU  15           HA       LEU  15  -8.955  -1.099   9.239
  571   1HB   LEU  15          1HB       LEU  15  -9.650  -0.690   7.061
  572   2HB   LEU  15          2HB       LEU  15  -8.017  -0.454   6.472
  573    HG   LEU  15           HG       LEU  15  -7.601  -2.846   6.545
  574   1HD1  LEU  15          1HD1      LEU  15 -10.152  -2.058   5.160
  575   2HD1  LEU  15          2HD1      LEU  15  -8.515  -2.034   4.502
  576   3HD1  LEU  15          3HD1      LEU  15  -9.298  -3.573   4.867
  577   1HD2  LEU  15          1HD2      LEU  15  -9.892  -2.853   8.268
  578   2HD2  LEU  15          2HD2      LEU  15 -10.124  -3.978   6.929
  579   3HD2  LEU  15          3HD2      LEU  15  -8.706  -4.123   7.968
  580    H    GLU  16           H        GLU  16  -7.953  -2.560  10.440
  581    HA   GLU  16           HA       GLU  16  -5.146  -3.096  10.145
  582   1HB   GLU  16          1HB       GLU  16  -5.449  -4.608  12.057
  583   2HB   GLU  16          2HB       GLU  16  -6.125  -3.016  12.371
  584   1HG   GLU  16          1HG       GLU  16  -8.362  -3.872  11.893
  585   2HG   GLU  16          2HG       GLU  16  -7.683  -5.467  11.587
  586    H    VAL  17           H        VAL  17  -4.182  -4.909   9.369
  587    HA   VAL  17           HA       VAL  17  -5.577  -7.291   8.689
  588    HB   VAL  17           HB       VAL  17  -6.498  -6.035   6.882
  589   1HG1  VAL  17          1HG1      VAL  17  -5.175  -8.328   6.490
  590   2HG1  VAL  17          2HG1      VAL  17  -6.077  -7.492   5.225
  591   3HG1  VAL  17          3HG1      VAL  17  -4.327  -7.292   5.342
  592   1HG2  VAL  17          1HG2      VAL  17  -4.098  -4.586   7.025
  593   2HG2  VAL  17          2HG2      VAL  17  -4.186  -5.265   5.399
  594   3HG2  VAL  17          3HG2      VAL  17  -5.505  -4.268   6.010
  595    H    GLU  18           H        GLU  18  -4.158  -8.933   8.527
  596    HA   GLU  18           HA       GLU  18  -1.489  -8.620   9.212
  597   1HB   GLU  18          1HB       GLU  18  -2.733 -10.939   7.729
  598   2HB   GLU  18          2HB       GLU  18  -1.209 -10.975   8.604
  599   1HG   GLU  18          1HG       GLU  18  -2.407 -10.505  10.689
  600   2HG   GLU  18          2HG       GLU  18  -3.930 -10.507   9.801
  601    HA   PRO  19           HA       PRO  19   0.581  -7.297   5.528
  602   1HB   PRO  19          1HB       PRO  19   3.025  -8.417   6.049
  603   2HB   PRO  19          2HB       PRO  19   2.458  -6.916   6.778
  604   1HG   PRO  19          1HG       PRO  19   2.420  -9.693   7.887
  605   2HG   PRO  19          2HG       PRO  19   2.901  -8.179   8.671
  606   1HD   PRO  19          1HD       PRO  19   0.499  -9.240   9.117
  607   2HD   PRO  19          2HD       PRO  19   0.692  -7.486   8.956
  608    H    SER  20           H        SER  20   0.734 -10.654   6.576
  609    HA   SER  20           HA       SER  20   1.790 -11.756   4.211
  610   1HB   SER  20          1HB       SER  20   1.690 -12.975   6.363
  611   2HB   SER  20          2HB       SER  20  -0.066 -13.052   6.226
  612    HG   SER  20           HG       SER  20   1.762 -14.678   5.164
  613    H    ASP  21           H        ASP  21  -1.305 -10.527   5.018
  614    HA   ASP  21           HA       ASP  21  -2.873 -11.981   3.164
  615   1HB   ASP  21          1HB       ASP  21  -3.279  -9.274   4.442
  616   2HB   ASP  21          2HB       ASP  21  -4.476 -10.048   3.409
  617    H    THR  22           H        THR  22  -3.211 -11.733   1.043
  618    HA   THR  22           HA       THR  22  -1.416 -10.327  -0.566
  619    HB   THR  22           HB       THR  22  -2.937 -10.806  -2.443
  620    HG1  THR  22           HG1      THR  22  -4.985 -10.760  -1.850
  621   1HG2  THR  22          1HG2      THR  22  -1.422 -12.554  -1.610
  622   2HG2  THR  22          2HG2      THR  22  -2.690 -13.122  -0.525
  623   3HG2  THR  22          3HG2      THR  22  -2.911 -13.229  -2.272
  624    H    ILE  23           H        ILE  23  -1.615  -8.487  -1.844
  625    HA   ILE  23           HA       ILE  23  -2.793  -6.236  -0.697
  626    HB   ILE  23           HB       ILE  23  -2.063  -6.651  -3.604
  627   1HG1  ILE  23          1HG1      ILE  23  -0.459  -5.490  -1.313
  628   2HG1  ILE  23          2HG1      ILE  23  -0.183  -7.057  -2.067
  629   1HG2  ILE  23          1HG2      ILE  23  -3.435  -4.532  -2.409
  630   2HG2  ILE  23          2HG2      ILE  23  -1.780  -3.960  -2.622
  631   3HG2  ILE  23          3HG2      ILE  23  -2.691  -4.559  -4.009
  632   1HD1  ILE  23          1HD1      ILE  23  -0.016  -4.454  -3.561
  633   2HD1  ILE  23          2HD1      ILE  23   1.365  -5.230  -2.784
  634   3HD1  ILE  23          3HD1      ILE  23   0.515  -6.049  -4.095
  635    H    GLU  24           H        GLU  24  -4.013  -8.591  -2.938
  636    HA   GLU  24           HA       GLU  24  -6.264  -7.211  -3.891
  637   1HB   GLU  24          1HB       GLU  24  -5.470  -9.193  -5.005
  638   2HB   GLU  24          2HB       GLU  24  -5.698 -10.159  -3.555
  639   1HG   GLU  24          1HG       GLU  24  -8.094  -9.856  -3.709
  640   2HG   GLU  24          2HG       GLU  24  -7.886  -8.853  -5.142
  641    H    ASN  25           H        ASN  25  -5.718  -9.194  -1.027
  642    HA   ASN  25           HA       ASN  25  -8.454  -9.276  -0.230
  643   1HB   ASN  25          1HB       ASN  25  -5.923  -9.806   1.335
  644   2HB   ASN  25          2HB       ASN  25  -7.547 -10.124   1.927
  645   1HD2  ASN  25          2HD2      ASN  25  -7.686 -10.696  -1.287
  646   2HD2  ASN  25          1HD2      ASN  25  -7.346 -12.390  -1.300
  647    H    VAL  26           H        VAL  26  -5.646  -7.379   0.888
  648    HA   VAL  26           HA       VAL  26  -6.931  -5.964   2.904
  649    HB   VAL  26           HB       VAL  26  -5.189  -4.263   2.668
  650   1HG1  VAL  26          1HG1      VAL  26  -4.869  -6.818   3.456
  651   2HG1  VAL  26          2HG1      VAL  26  -3.616  -6.704   2.220
  652   3HG1  VAL  26          3HG1      VAL  26  -3.617  -5.583   3.582
  653   1HG2  VAL  26          1HG2      VAL  26  -5.110  -4.183   0.217
  654   2HG2  VAL  26          2HG2      VAL  26  -3.509  -4.387   0.929
  655   3HG2  VAL  26          3HG2      VAL  26  -4.335  -5.767   0.204
  656    H    LYS  27           H        LYS  27  -6.631  -5.177  -0.544
  657    HA   LYS  27           HA       LYS  27  -8.037  -2.711  -0.336
  658   1HB   LYS  27          1HB       LYS  27  -7.515  -4.446  -2.757
  659   2HB   LYS  27          2HB       LYS  27  -8.118  -2.795  -2.802
  660   1HG   LYS  27          1HG       LYS  27  -6.028  -2.061  -1.678
  661   2HG   LYS  27          2HG       LYS  27  -5.425  -3.712  -1.823
  662   1HD   LYS  27          1HD       LYS  27  -6.238  -1.935  -4.120
  663   2HD   LYS  27          2HD       LYS  27  -4.580  -2.268  -3.617
  664   1HE   LYS  27          1HE       LYS  27  -4.946  -4.658  -4.074
  665   2HE   LYS  27          2HE       LYS  27  -6.578  -4.286  -4.627
  666   1HZ   LYS  27          1HZ       LYS  27  -4.255  -2.955  -5.855
  667   2HZ   LYS  27          2HZ       LYS  27  -4.703  -4.511  -6.348
  668   3HZ   LYS  27          3HZ       LYS  27  -5.793  -3.227  -6.504
  669    H    ALA  28           H        ALA  28  -8.958  -6.034  -0.956
  670    HA   ALA  28           HA       ALA  28 -11.535  -5.648  -1.945
  671   1HB   ALA  28          1HB       ALA  28 -11.545  -7.866  -1.955
  672   2HB   ALA  28          2HB       ALA  28 -11.468  -7.923  -0.193
  673   3HB   ALA  28          3HB       ALA  28  -9.982  -7.832  -1.139
  674    H    LYS  29           H        LYS  29 -10.343  -5.655   1.376
  675    HA   LYS  29           HA       LYS  29 -12.867  -5.612   2.658
  676   1HB   LYS  29          1HB       LYS  29 -10.424  -4.247   3.770
  677   2HB   LYS  29          2HB       LYS  29 -11.693  -5.099   4.636
  678   1HG   LYS  29          1HG       LYS  29 -10.863  -7.226   3.699
  679   2HG   LYS  29          2HG       LYS  29  -9.556  -6.336   2.918
  680   1HD   LYS  29          1HD       LYS  29  -8.772  -7.333   4.986
  681   2HD   LYS  29          2HD       LYS  29  -8.785  -5.576   5.129
  682   1HE   LYS  29          1HE       LYS  29 -10.911  -5.685   6.329
  683   2HE   LYS  29          2HE       LYS  29 -10.909  -7.442   6.180
  684   1HZ   LYS  29          1HZ       LYS  29  -8.777  -5.911   7.562
  685   2HZ   LYS  29          2HZ       LYS  29 -10.109  -6.586   8.355
  686   3HZ   LYS  29          3HZ       LYS  29  -9.001  -7.589   7.563
  687    H    ILE  30           H        ILE  30 -10.689  -3.144   1.439
  688    HA   ILE  30           HA       ILE  30 -11.926  -0.857   2.408
  689    HB   ILE  30           HB       ILE  30 -10.586  -1.219  -0.278
  690   1HG1  ILE  30          1HG1      ILE  30  -9.139  -1.885   1.594
  691   2HG1  ILE  30          2HG1      ILE  30  -8.564  -0.399   0.847
  692   1HG2  ILE  30          1HG2      ILE  30 -12.028   0.855   0.106
  693   2HG2  ILE  30          2HG2      ILE  30 -10.806   1.340   1.283
  694   3HG2  ILE  30          3HG2      ILE  30 -10.361   1.114  -0.410
  695   1HD1  ILE  30          1HD1      ILE  30  -9.650   0.879   2.666
  696   2HD1  ILE  30          2HD1      ILE  30 -10.063  -0.653   3.438
  697   3HD1  ILE  30          3HD1      ILE  30  -8.372  -0.204   3.218
  698    H    GLN  31           H        GLN  31 -12.802  -2.990  -0.226
  699    HA   GLN  31           HA       GLN  31 -14.692  -1.368  -1.540
  700   1HB   GLN  31          1HB       GLN  31 -14.791  -4.371  -1.161
  701   2HB   GLN  31          2HB       GLN  31 -15.616  -3.447  -2.410
  702   1HG   GLN  31          1HG       GLN  31 -13.518  -2.875  -3.436
  703   2HG   GLN  31          2HG       GLN  31 -12.628  -3.658  -2.127
  704   1HE2  GLN  31          2HE2      GLN  31 -13.854  -4.028  -5.176
  705   2HE2  GLN  31          1HE2      GLN  31 -13.805  -5.749  -5.294
  706    H    ASP  32           H        ASP  32 -15.042  -3.846   0.956
  707    HA   ASP  32           HA       ASP  32 -17.770  -3.440   1.467
  708   1HB   ASP  32          1HB       ASP  32 -16.591  -5.452   2.219
  709   2HB   ASP  32          2HB       ASP  32 -15.607  -4.478   3.309
  710    H    LYS  33           H        LYS  33 -14.876  -1.899   2.550
  711    HA   LYS  33           HA       LYS  33 -15.914  -0.450   4.732
  712   1HB   LYS  33          1HB       LYS  33 -13.505  -0.059   2.965
  713   2HB   LYS  33          2HB       LYS  33 -13.862   0.998   4.326
  714   1HG   LYS  33          1HG       LYS  33 -13.396  -1.974   4.479
  715   2HG   LYS  33          2HG       LYS  33 -12.229  -0.720   4.902
  716   1HD   LYS  33          1HD       LYS  33 -13.729   0.085   6.660
  717   2HD   LYS  33          2HD       LYS  33 -14.899  -1.168   6.236
  718   1HE   LYS  33          1HE       LYS  33 -13.257  -2.890   6.808
  719   2HE   LYS  33          2HE       LYS  33 -12.091  -1.638   7.233
  720   1HZ   LYS  33          1HZ       LYS  33 -13.586  -0.892   8.979
  721   2HZ   LYS  33          2HZ       LYS  33 -14.703  -2.093   8.572
  722   3HZ   LYS  33          3HZ       LYS  33 -13.187  -2.521   9.191
  723    H    GLU  34           H        GLU  34 -15.856   0.157   1.279
  724    HA   GLU  34           HA       GLU  34 -17.645   2.419   1.693
  725   1HB   GLU  34          1HB       GLU  34 -15.417   3.435   1.631
  726   2HB   GLU  34          2HB       GLU  34 -15.092   2.649   0.093
  727   1HG   GLU  34          1HG       GLU  34 -15.648   4.962  -0.262
  728   2HG   GLU  34          2HG       GLU  34 -16.908   3.930  -0.936
  729    H    GLY  35           H        GLY  35 -15.794   0.890  -0.970
  730   1HA   GLY  35          1HA       GLY  35 -18.305   0.835  -2.514
  731   2HA   GLY  35          2HA       GLY  35 -17.351  -0.629  -2.342
  732    H    ILE  36           H        ILE  36 -14.853  -0.041  -2.837
  733    HA   ILE  36           HA       ILE  36 -14.917   1.064  -5.553
  734    HB   ILE  36           HB       ILE  36 -12.378   1.643  -4.330
  735   1HG1  ILE  36          1HG1      ILE  36 -13.267   3.568  -2.909
  736   2HG1  ILE  36          2HG1      ILE  36 -14.826   2.750  -2.953
  737   1HG2  ILE  36          1HG2      ILE  36 -14.424   2.948  -5.982
  738   2HG2  ILE  36          2HG2      ILE  36 -13.423   4.035  -5.017
  739   3HG2  ILE  36          3HG2      ILE  36 -12.668   2.914  -6.151
  740   1HD1  ILE  36          1HD1      ILE  36 -12.639   1.005  -2.159
  741   2HD1  ILE  36          2HD1      ILE  36 -12.877   2.378  -1.079
  742   3HD1  ILE  36          3HD1      ILE  36 -14.212   1.274  -1.408
  743    HA   PRO  37           HA       PRO  37 -12.956  -2.800  -6.578
  744   1HB   PRO  37          1HB       PRO  37 -11.738  -1.082  -8.695
  745   2HB   PRO  37          2HB       PRO  37 -12.538  -2.648  -8.844
  746   1HG   PRO  37          1HG       PRO  37 -13.803  -0.425  -9.555
  747   2HG   PRO  37          2HG       PRO  37 -14.665  -1.719  -8.701
  748   1HD   PRO  37          1HD       PRO  37 -13.684   0.904  -7.673
  749   2HD   PRO  37          2HD       PRO  37 -15.146   0.000  -7.242
  750    HA   PRO  38           HA       PRO  38  -9.026  -2.460  -4.547
  751   1HB   PRO  38          1HB       PRO  38  -8.303  -4.824  -6.191
  752   2HB   PRO  38          2HB       PRO  38  -8.263  -4.618  -4.439
  753   1HG   PRO  38          1HG       PRO  38 -10.156  -6.093  -5.589
  754   2HG   PRO  38          2HG       PRO  38 -10.532  -5.048  -4.205
  755   1HD   PRO  38          1HD       PRO  38 -11.074  -4.609  -7.116
  756   2HD   PRO  38          2HD       PRO  38 -12.097  -4.243  -5.712
  757    H    ASP  39           H        ASP  39  -9.083  -3.131  -8.031
  758    HA   ASP  39           HA       ASP  39  -6.432  -2.444  -8.587
  759   1HB   ASP  39          1HB       ASP  39  -7.196  -2.167 -10.924
  760   2HB   ASP  39          2HB       ASP  39  -7.786  -3.655 -10.194
  761    H    GLN  40           H        GLN  40  -9.320  -0.456  -8.283
  762    HA   GLN  40           HA       GLN  40  -8.230   1.886  -9.394
  763   1HB   GLN  40          1HB       GLN  40 -10.457   1.518  -7.390
  764   2HB   GLN  40          2HB       GLN  40 -10.075   3.047  -8.173
  765   1HG   GLN  40          1HG       GLN  40 -10.526   2.038 -10.354
  766   2HG   GLN  40          2HG       GLN  40 -10.915   0.513  -9.568
  767   1HE2  GLN  40          2HE2      GLN  40 -11.989   2.800  -7.512
  768   2HE2  GLN  40          1HE2      GLN  40 -13.615   2.957  -8.062
  769    H    GLN  41           H        GLN  41  -8.244   0.619  -6.093
  770    HA   GLN  41           HA       GLN  41  -7.229   2.889  -4.799
  771   1HB   GLN  41          1HB       GLN  41  -6.911  -0.042  -4.138
  772   2HB   GLN  41          2HB       GLN  41  -6.460   1.270  -3.056
  773   1HG   GLN  41          1HG       GLN  41  -8.747   2.020  -2.940
  774   2HG   GLN  41          2HG       GLN  41  -9.234   0.819  -4.132
  775   1HE2  GLN  41          2HE2      GLN  41 -10.323  -0.752  -3.234
  776   2HE2  GLN  41          1HE2      GLN  41 -10.000  -1.478  -1.702
  777    H    ARG  42           H        ARG  42  -5.283   3.819  -4.782
  778    HA   ARG  42           HA       ARG  42  -3.183   2.645  -6.360
  779   1HB   ARG  42          1HB       ARG  42  -3.723   4.986  -6.724
  780   2HB   ARG  42          2HB       ARG  42  -3.373   5.345  -5.039
  781   1HG   ARG  42          1HG       ARG  42  -1.039   4.767  -5.379
  782   2HG   ARG  42          2HG       ARG  42  -1.376   4.343  -7.056
  783   1HD   ARG  42          1HD       ARG  42  -1.786   7.082  -5.865
  784   2HD   ARG  42          2HD       ARG  42  -0.359   6.591  -6.774
  785    HE   ARG  42           HE       ARG  42  -1.567   6.752  -8.723
  786   1HH1  ARG  42          1HH1      ARG  42  -3.722   7.039  -5.996
  787   2HH1  ARG  42          2HH1      ARG  42  -5.094   7.459  -6.966
  788   1HH2  ARG  42          1HH2      ARG  42  -3.365   7.309  -9.998
  789   2HH2  ARG  42          2HH2      ARG  42  -4.892   7.612  -9.237
  790    H    LEU  43           H        LEU  43  -1.458   1.622  -5.603
  791    HA   LEU  43           HA       LEU  43  -1.104   1.268  -2.777
  792   1HB   LEU  43          1HB       LEU  43   0.495   0.345  -5.160
  793   2HB   LEU  43          2HB       LEU  43   0.947  -0.023  -3.512
  794    HG   LEU  43           HG       LEU  43  -0.213  -1.897  -4.584
  795   1HD1  LEU  43          1HD1      LEU  43  -2.506   0.042  -4.811
  796   2HD1  LEU  43          2HD1      LEU  43  -1.633  -0.736  -6.131
  797   3HD1  LEU  43          3HD1      LEU  43  -2.637  -1.702  -5.049
  798   1HD2  LEU  43          1HD2      LEU  43  -1.313  -0.528  -2.197
  799   2HD2  LEU  43          2HD2      LEU  43  -2.207  -1.905  -2.842
  800   3HD2  LEU  43          3HD2      LEU  43  -0.527  -2.100  -2.343
  801    H    ILE  44           H        ILE  44   0.243   2.301  -1.442
  802    HA   ILE  44           HA       ILE  44   2.441   3.886  -2.530
  803    HB   ILE  44           HB       ILE  44   0.318   5.046  -0.726
  804   1HG1  ILE  44          1HG1      ILE  44   1.148   5.778  -3.543
  805   2HG1  ILE  44          2HG1      ILE  44  -0.313   4.896  -3.113
  806   1HG2  ILE  44          1HG2      ILE  44   2.939   6.175  -1.689
  807   2HG2  ILE  44          2HG2      ILE  44   1.652   7.149  -0.977
  808   3HG2  ILE  44          3HG2      ILE  44   2.436   5.891  -0.023
  809   1HD1  ILE  44          1HD1      ILE  44  -0.281   7.280  -1.602
  810   2HD1  ILE  44          2HD1      ILE  44   0.090   7.689  -3.277
  811   3HD1  ILE  44          3HD1      ILE  44  -1.385   6.803  -2.893
  812    H    PHE  45           H        PHE  45   4.196   3.978  -1.211
  813    HA   PHE  45           HA       PHE  45   3.924   2.974   1.539
  814   1HB   PHE  45          1HB       PHE  45   6.136   2.147  -0.357
  815   2HB   PHE  45          2HB       PHE  45   5.899   1.585   1.294
  816    HD1  PHE  45           HD1      PHE  45   4.258   1.623  -2.043
  817    HD2  PHE  45           HD2      PHE  45   4.720  -0.363   1.692
  818    HE1  PHE  45           HE1      PHE  45   2.922  -0.262  -2.885
  819    HE2  PHE  45           HE2      PHE  45   3.386  -2.253   0.856
  820    HZ   PHE  45           HZ       PHE  45   2.484  -2.205  -1.436
  821    H    ALA  46           H        ALA  46   5.326   3.895   3.041
  822    HA   ALA  46           HA       ALA  46   7.469   5.632   2.159
  823   1HB   ALA  46          1HB       ALA  46   6.329   7.536   2.153
  824   2HB   ALA  46          2HB       ALA  46   4.868   6.711   2.692
  825   3HB   ALA  46          3HB       ALA  46   6.025   7.319   3.875
  826    H    GLY  47           H        GLY  47   9.084   5.287   3.512
  827   1HA   GLY  47          1HA       GLY  47  10.234   4.596   5.381
  828   2HA   GLY  47          2HA       GLY  47   8.722   3.975   6.019
  829    H    LYS  48           H        LYS  48  11.068   5.724   7.009
  830    HA   LYS  48           HA       LYS  48   9.497   7.285   8.815
  831   1HB   LYS  48          1HB       LYS  48  11.599   6.237   9.518
  832   2HB   LYS  48          2HB       LYS  48  12.488   7.222   8.365
  833   1HG   LYS  48          1HG       LYS  48  12.740   8.127  10.579
  834   2HG   LYS  48          2HG       LYS  48  11.799   9.241   9.588
  835   1HD   LYS  48          1HD       LYS  48   9.736   8.404  10.595
  836   2HD   LYS  48          2HD       LYS  48  10.673   7.276  11.580
  837   1HE   LYS  48          1HE       LYS  48  10.832  10.286  11.674
  838   2HE   LYS  48          2HE       LYS  48  10.055   9.248  12.869
  839   1HZ   LYS  48          1HZ       LYS  48  12.719   8.410  12.454
  840   2HZ   LYS  48          2HZ       LYS  48  12.703  10.063  12.810
  841   3HZ   LYS  48          3HZ       LYS  48  11.990   8.960  13.877
  842    H    GLN  49           H        GLN  49   8.370   8.521   7.187
  843    HA   GLN  49           HA       GLN  49   9.684  10.443   5.595
  844   1HB   GLN  49          1HB       GLN  49   7.451  11.472   5.394
  845   2HB   GLN  49          2HB       GLN  49   7.404   9.736   5.136
  846   1HG   GLN  49          1HG       GLN  49   6.569   9.413   7.406
  847   2HG   GLN  49          2HG       GLN  49   6.605  11.157   7.663
  848   1HE2  GLN  49          2HE2      GLN  49   4.710  12.076   7.497
  849   2HE2  GLN  49          1HE2      GLN  49   3.415  11.584   6.466
  850    H    LEU  50           H        LEU  50  11.012  11.882   6.491
  851    HA   LEU  50           HA       LEU  50  11.028  12.771   9.112
  852   1HB   LEU  50          1HB       LEU  50  11.940  14.356   6.715
  853   2HB   LEU  50          2HB       LEU  50  12.468  14.571   8.370
  854    HG   LEU  50           HG       LEU  50  12.942  11.863   7.464
  855   1HD1  LEU  50          1HD1      LEU  50  14.172  13.961   9.026
  856   2HD1  LEU  50          2HD1      LEU  50  14.402  12.212   9.112
  857   3HD1  LEU  50          3HD1      LEU  50  15.350  13.174   7.974
  858   1HD2  LEU  50          1HD2      LEU  50  13.472  14.017   5.591
  859   2HD2  LEU  50          2HD2      LEU  50  14.948  13.143   6.029
  860   3HD2  LEU  50          3HD2      LEU  50  13.562  12.263   5.356
  861    H    GLU  51           H        GLU  51   8.741  13.141   9.535
  862    HA   GLU  51           HA       GLU  51   6.946  14.487   9.921
  863   1HB   GLU  51          1HB       GLU  51   8.693  15.943  10.867
  864   2HB   GLU  51          2HB       GLU  51   8.927  16.687   9.292
  865   1HG   GLU  51          1HG       GLU  51   6.624  17.518   9.354
  866   2HG   GLU  51          2HG       GLU  51   6.411  16.786  10.941

  No H/Q in entry =         866
  Start of MODEL    3
    1    H1   GLY  -1           H1       GLY  -1   5.403  -9.656 -13.487
    2    H2   GLY  -1           H2       GLY  -1   6.849  -8.823 -13.763
    3    H3   GLY  -1           H3       GLY  -1   6.087  -8.719 -12.255
    4   1HA   GLY  -1          1HA       GLY  -1   5.273  -7.508 -14.820
    5   2HA   GLY  -1          2HA       GLY  -1   5.555  -6.712 -13.282
    6    H    SER   0           H        SER   0   3.652  -5.809 -12.782
    7    HA   SER   0           HA       SER   0   1.134  -6.965 -13.406
    8   1HB   SER   0          1HB       SER   0   1.711  -8.489 -11.580
    9   2HB   SER   0          2HB       SER   0   2.019  -7.119 -10.513
   10    HG   SER   0           HG       SER   0  -0.473  -7.726 -11.733
   11    H    MET   1           H        MET   1   2.827  -4.850 -11.107
   12    HA   MET   1           HA       MET   1   1.538  -2.515 -12.035
   13   1HB   MET   1          1HB       MET   1   0.140  -1.982 -10.112
   14   2HB   MET   1          2HB       MET   1  -0.394  -3.485 -10.852
   15   1HG   MET   1          1HG       MET   1   0.698  -4.767  -9.117
   16   2HG   MET   1          2HG       MET   1   1.342  -3.292  -8.400
   17   1HE   MET   1          1HE       MET   1   0.585  -3.982  -6.203
   18   2HE   MET   1          2HE       MET   1  -1.076  -3.986  -5.607
   19   3HE   MET   1          3HE       MET   1  -0.456  -5.374  -6.504
   20    H    GLN   2           H        GLN   2   3.002  -0.982 -11.710
   21    HA   GLN   2           HA       GLN   2   5.152  -1.341  -9.861
   22   1HB   GLN   2          1HB       GLN   2   5.870   0.909 -10.676
   23   2HB   GLN   2          2HB       GLN   2   5.615  -0.265 -11.957
   24   1HG   GLN   2          1HG       GLN   2   3.413   0.723 -12.402
   25   2HG   GLN   2          2HG       GLN   2   3.712   1.921 -11.147
   26   1HE2  GLN   2          2HE2      GLN   2   4.309   3.805 -11.909
   27   2HE2  GLN   2          1HE2      GLN   2   5.242   4.086 -13.334
   28    H    ILE   3           H        ILE   3   4.897  -1.026  -7.755
   29    HA   ILE   3           HA       ILE   3   2.827   0.562  -6.621
   30    HB   ILE   3           HB       ILE   3   3.889   0.064  -4.460
   31   1HG1  ILE   3          1HG1      ILE   3   6.034  -1.257  -6.136
   32   2HG1  ILE   3          2HG1      ILE   3   6.233   0.218  -5.202
   33   1HG2  ILE   3          1HG2      ILE   3   3.407  -2.122  -6.438
   34   2HG2  ILE   3          2HG2      ILE   3   3.921  -2.515  -4.797
   35   3HG2  ILE   3          3HG2      ILE   3   2.426  -1.617  -5.062
   36   1HD1  ILE   3          1HD1      ILE   3   5.597  -2.485  -4.052
   37   2HD1  ILE   3          2HD1      ILE   3   7.195  -1.735  -4.099
   38   3HD1  ILE   3          3HD1      ILE   3   5.902  -1.003  -3.147
   39    H    PHE   4           H        PHE   4   2.858   2.600  -5.838
   40    HA   PHE   4           HA       PHE   4   5.204   4.226  -6.420
   41   1HB   PHE   4          1HB       PHE   4   2.421   4.980  -5.491
   42   2HB   PHE   4          2HB       PHE   4   3.706   6.137  -5.813
   43    HD1  PHE   4           HD1      PHE   4   2.300   3.174  -7.613
   44    HD2  PHE   4           HD2      PHE   4   3.407   7.280  -7.764
   45    HE1  PHE   4           HE1      PHE   4   1.639   3.260  -9.981
   46    HE2  PHE   4           HE2      PHE   4   2.748   7.374 -10.133
   47    HZ   PHE   4           HZ       PHE   4   1.863   5.362 -11.245
   48    H    VAL   5           H        VAL   5   6.607   4.901  -4.902
   49    HA   VAL   5           HA       VAL   5   5.801   4.924  -2.088
   50    HB   VAL   5           HB       VAL   5   8.264   3.453  -3.028
   51   1HG1  VAL   5          1HG1      VAL   5   7.563   4.552  -0.521
   52   2HG1  VAL   5          2HG1      VAL   5   7.473   2.796  -0.378
   53   3HG1  VAL   5          3HG1      VAL   5   8.962   3.560  -0.933
   54   1HG2  VAL   5          1HG2      VAL   5   5.666   2.330  -2.004
   55   2HG2  VAL   5          2HG2      VAL   5   6.292   2.197  -3.647
   56   3HG2  VAL   5          3HG2      VAL   5   7.134   1.404  -2.317
   57    H    LYS   6           H        LYS   6   6.747   6.527  -0.939
   58    HA   LYS   6           HA       LYS   6   8.667   8.227  -2.344
   59   1HB   LYS   6          1HB       LYS   6   7.092   8.668   0.199
   60   2HB   LYS   6          2HB       LYS   6   8.236   9.825  -0.469
   61   1HG   LYS   6          1HG       LYS   6   6.869   9.974  -2.504
   62   2HG   LYS   6          2HG       LYS   6   5.707   8.859  -1.785
   63   1HD   LYS   6          1HD       LYS   6   5.278  10.429   0.018
   64   2HD   LYS   6          2HD       LYS   6   6.490  11.534  -0.632
   65   1HE   LYS   6          1HE       LYS   6   5.171  11.785  -2.673
   66   2HE   LYS   6          2HE       LYS   6   3.961  10.675  -2.030
   67   1HZ   LYS   6          1HZ       LYS   6   4.133  12.492  -0.068
   68   2HZ   LYS   6          2HZ       LYS   6   4.414  13.465  -1.425
   69   3HZ   LYS   6          3HZ       LYS   6   2.995  12.550  -1.318
   70    H    THR   7           H        THR   7  10.780   8.093  -1.921
   71    HA   THR   7           HA       THR   7  11.773   6.314   0.061
   72    HB   THR   7           HB       THR   7  14.014   7.116  -0.596
   73    HG1  THR   7           HG1      THR   7  13.908   9.187  -1.167
   74   1HG2  THR   7          1HG2      THR   7  12.022   6.348  -2.701
   75   2HG2  THR   7          2HG2      THR   7  13.711   6.628  -3.123
   76   3HG2  THR   7          3HG2      THR   7  13.290   5.373  -1.959
   77    H    LEU   8           H        LEU   8  14.065   7.808   0.917
   78    HA   LEU   8           HA       LEU   8  12.860   9.160   3.175
   79   1HB   LEU   8          1HB       LEU   8  15.744   8.534   2.538
   80   2HB   LEU   8          2HB       LEU   8  15.187   9.257   4.033
   81    HG   LEU   8           HG       LEU   8  15.614   6.898   4.375
   82   1HD1  LEU   8          1HD1      LEU   8  15.027   6.423   1.866
   83   2HD1  LEU   8          2HD1      LEU   8  14.807   5.183   3.101
   84   3HD1  LEU   8          3HD1      LEU   8  13.423   6.112   2.529
   85   1HD2  LEU   8          1HD2      LEU   8  13.286   8.206   5.043
   86   2HD2  LEU   8          2HD2      LEU   8  12.725   6.670   4.384
   87   3HD2  LEU   8          3HD2      LEU   8  13.865   6.688   5.730
   88    H    THR   9           H        THR   9  15.211   9.950   0.625
   89    HA   THR   9           HA       THR   9  15.448  12.679   1.388
   90    HB   THR   9           HB       THR   9  17.250  11.651   0.162
   91    HG1  THR   9           HG1      THR   9  16.984  13.208  -1.842
   92   1HG2  THR   9          1HG2      THR   9  15.742  10.095  -1.146
   93   2HG2  THR   9          2HG2      THR   9  15.442  11.447  -2.239
   94   3HG2  THR   9          3HG2      THR   9  17.075  10.812  -2.052
   95    H    GLY  10           H        GLY  10  13.610  11.019  -1.171
   96   1HA   GLY  10          1HA       GLY  10  12.424  13.517  -2.045
   97   2HA   GLY  10          2HA       GLY  10  11.335  12.457  -1.163
   98    H    LYS  11           H        LYS  11  13.891  11.430  -3.360
   99    HA   LYS  11           HA       LYS  11  12.539  11.188  -5.733
  100   1HB   LYS  11          1HB       LYS  11  14.930  10.722  -5.487
  101   2HB   LYS  11          2HB       LYS  11  14.563   9.258  -4.589
  102   1HG   LYS  11          1HG       LYS  11  13.419   8.365  -6.594
  103   2HG   LYS  11          2HG       LYS  11  13.930   9.803  -7.480
  104   1HD   LYS  11          1HD       LYS  11  16.277   9.233  -7.021
  105   2HD   LYS  11          2HD       LYS  11  15.746   7.776  -6.177
  106   1HE   LYS  11          1HE       LYS  11  14.708   6.964  -8.240
  107   2HE   LYS  11          2HE       LYS  11  15.252   8.414  -9.083
  108   1HZ   LYS  11          1HZ       LYS  11  17.341   6.963  -7.715
  109   2HZ   LYS  11          2HZ       LYS  11  16.619   6.110  -8.986
  110   3HZ   LYS  11          3HZ       LYS  11  17.321   7.622  -9.272
  111    H    THR  12           H        THR  12  10.964   9.952  -6.537
  112    HA   THR  12           HA       THR  12   9.614   8.091  -4.775
  113    HB   THR  12           HB       THR  12   8.928   8.877  -7.611
  114    HG1  THR  12           HG1      THR  12   7.259   9.885  -5.780
  115   1HG2  THR  12          1HG2      THR  12   7.538   7.255  -5.512
  116   2HG2  THR  12          2HG2      THR  12   6.597   8.163  -6.696
  117   3HG2  THR  12          3HG2      THR  12   7.731   6.924  -7.233
  118    H    ILE  13           H        ILE  13   9.682   5.923  -4.888
  119    HA   ILE  13           HA       ILE  13  11.405   4.724  -6.923
  120    HB   ILE  13           HB       ILE  13  10.763   2.636  -5.342
  121   1HG1  ILE  13          1HG1      ILE  13  10.799   5.055  -3.531
  122   2HG1  ILE  13          2HG1      ILE  13   9.419   4.003  -3.822
  123   1HG2  ILE  13          1HG2      ILE  13  12.986   4.569  -5.419
  124   2HG2  ILE  13          2HG2      ILE  13  12.927   3.463  -4.041
  125   3HG2  ILE  13          3HG2      ILE  13  12.969   2.821  -5.686
  126   1HD1  ILE  13          1HD1      ILE  13  11.404   2.270  -3.015
  127   2HD1  ILE  13          2HD1      ILE  13  11.633   3.690  -1.995
  128   3HD1  ILE  13          3HD1      ILE  13  10.069   2.874  -2.033
  129    H    THR  14           H        THR  14  10.684   3.496  -8.503
  130    HA   THR  14           HA       THR  14   7.838   2.740  -8.491
  131    HB   THR  14           HB       THR  14   9.513   2.670 -10.978
  132    HG1  THR  14           HG1      THR  14   9.356   4.822 -11.244
  133   1HG2  THR  14          1HG2      THR  14   7.155   1.791 -10.844
  134   2HG2  THR  14          2HG2      THR  14   6.634   3.450 -10.549
  135   3HG2  THR  14          3HG2      THR  14   7.422   3.032 -12.070
  136    H    LEU  15           H        LEU  15   7.363   0.605  -8.411
  137    HA   LEU  15           HA       LEU  15   9.216  -1.379  -9.386
  138   1HB   LEU  15          1HB       LEU  15  10.351  -1.531  -7.460
  139   2HB   LEU  15          2HB       LEU  15   9.197  -0.526  -6.615
  140    HG   LEU  15           HG       LEU  15   7.764  -2.563  -6.294
  141   1HD1  LEU  15          1HD1      LEU  15  10.377  -1.992  -5.078
  142   2HD1  LEU  15          2HD1      LEU  15   8.787  -2.155  -4.334
  143   3HD1  LEU  15          3HD1      LEU  15   9.722  -3.594  -4.740
  144   1HD2  LEU  15          1HD2      LEU  15   9.482  -3.703  -8.144
  145   2HD2  LEU  15          2HD2      LEU  15   9.955  -4.425  -6.606
  146   3HD2  LEU  15          3HD2      LEU  15   8.285  -4.542  -7.159
  147    H    GLU  16           H        GLU  16   7.907  -2.726 -10.427
  148    HA   GLU  16           HA       GLU  16   5.141  -3.012  -9.753
  149   1HB   GLU  16          1HB       GLU  16   4.948  -4.357 -11.695
  150   2HB   GLU  16          2HB       GLU  16   6.086  -3.080 -12.090
  151   1HG   GLU  16          1HG       GLU  16   6.841  -5.878 -11.302
  152   2HG   GLU  16          2HG       GLU  16   6.752  -5.283 -12.955
  153    H    VAL  17           H        VAL  17   4.062  -4.790  -8.946
  154    HA   VAL  17           HA       VAL  17   5.568  -7.139  -8.123
  155    HB   VAL  17           HB       VAL  17   4.727  -7.024  -5.792
  156   1HG1  VAL  17          1HG1      VAL  17   6.985  -6.018  -6.742
  157   2HG1  VAL  17          2HG1      VAL  17   6.276  -4.521  -6.135
  158   3HG1  VAL  17          3HG1      VAL  17   6.542  -5.879  -5.041
  159   1HG2  VAL  17          1HG2      VAL  17   3.466  -4.608  -6.846
  160   2HG2  VAL  17          2HG2      VAL  17   3.023  -5.611  -5.465
  161   3HG2  VAL  17          3HG2      VAL  17   4.276  -4.385  -5.296
  162    H    GLU  18           H        GLU  18   4.315  -8.952  -7.773
  163    HA   GLU  18           HA       GLU  18   1.808  -9.035  -9.096
  164   1HB   GLU  18          1HB       GLU  18   3.065 -11.115  -7.297
  165   2HB   GLU  18          2HB       GLU  18   1.774 -11.388  -8.457
  166   1HG   GLU  18          1HG       GLU  18   4.568 -10.503  -9.137
  167   2HG   GLU  18          2HG       GLU  18   3.951 -12.149  -9.279
  168    HA   PRO  19           HA       PRO  19  -1.054  -7.960  -5.896
  169   1HB   PRO  19          1HB       PRO  19  -3.081  -9.720  -6.564
  170   2HB   PRO  19          2HB       PRO  19  -2.822  -8.150  -7.320
  171   1HG   PRO  19          1HG       PRO  19  -2.022 -10.862  -8.270
  172   2HG   PRO  19          2HG       PRO  19  -2.651  -9.489  -9.198
  173   1HD   PRO  19          1HD       PRO  19  -0.044 -10.105  -9.213
  174   2HD   PRO  19          2HD       PRO  19  -0.594  -8.418  -9.246
  175    H    SER  20           H        SER  20  -0.572 -11.385  -6.586
  176    HA   SER  20           HA       SER  20  -1.569 -12.389  -4.157
  177   1HB   SER  20          1HB       SER  20  -1.288 -13.778  -6.147
  178   2HB   SER  20          2HB       SER  20   0.459 -13.577  -6.059
  179    HG   SER  20           HG       SER  20  -1.225 -14.916  -4.215
  180    H    ASP  21           H        ASP  21   1.527 -11.078  -5.071
  181    HA   ASP  21           HA       ASP  21   3.150 -12.116  -3.068
  182   1HB   ASP  21          1HB       ASP  21   3.227  -9.397  -4.391
  183   2HB   ASP  21          2HB       ASP  21   4.513 -10.045  -3.383
  184    H    THR  22           H        THR  22   3.314 -11.812  -0.945
  185    HA   THR  22           HA       THR  22   1.329 -10.477   0.522
  186    HB   THR  22           HB       THR  22   2.761 -10.882   2.502
  187    HG1  THR  22           HG1      THR  22   4.632 -12.352   1.136
  188   1HG2  THR  22          1HG2      THR  22   1.288 -12.645   1.425
  189   2HG2  THR  22          2HG2      THR  22   2.762 -13.306   0.717
  190   3HG2  THR  22          3HG2      THR  22   2.579 -13.240   2.470
  191    H    ILE  23           H        ILE  23   1.379  -8.621   1.795
  192    HA   ILE  23           HA       ILE  23   2.514  -6.339   0.687
  193    HB   ILE  23           HB       ILE  23   1.642  -6.751   3.552
  194   1HG1  ILE  23          1HG1      ILE  23   0.144  -5.658   1.158
  195   2HG1  ILE  23          2HG1      ILE  23  -0.127  -7.228   1.907
  196   1HG2  ILE  23          1HG2      ILE  23   2.166  -4.233   1.983
  197   2HG2  ILE  23          2HG2      ILE  23   1.334  -4.279   3.537
  198   3HG2  ILE  23          3HG2      ILE  23   3.016  -4.795   3.423
  199   1HD1  ILE  23          1HD1      ILE  23  -0.798  -6.089   3.982
  200   2HD1  ILE  23          2HD1      ILE  23  -0.599  -4.536   3.168
  201   3HD1  ILE  23          3HD1      ILE  23  -1.825  -5.676   2.610
  202    H    GLU  24           H        GLU  24   3.661  -8.364   3.352
  203    HA   GLU  24           HA       GLU  24   5.853  -6.764   4.098
  204   1HB   GLU  24          1HB       GLU  24   6.715  -8.791   5.193
  205   2HB   GLU  24          2HB       GLU  24   5.009  -8.545   5.534
  206   1HG   GLU  24          1HG       GLU  24   4.429 -10.218   3.854
  207   2HG   GLU  24          2HG       GLU  24   6.138 -10.465   3.511
  208    H    ASN  25           H        ASN  25   5.400  -9.069   1.525
  209    HA   ASN  25           HA       ASN  25   8.147  -9.487   0.930
  210   1HB   ASN  25          1HB       ASN  25   6.252 -10.984   0.225
  211   2HB   ASN  25          2HB       ASN  25   5.806  -9.761  -0.960
  212   1HD2  ASN  25          2HD2      ASN  25   7.344 -12.588  -0.616
  213   2HD2  ASN  25          1HD2      ASN  25   8.473 -12.488  -1.918
  214    H    VAL  26           H        VAL  26   5.655  -7.396  -0.532
  215    HA   VAL  26           HA       VAL  26   7.329  -6.244  -2.470
  216    HB   VAL  26           HB       VAL  26   5.657  -4.466  -2.648
  217   1HG1  VAL  26          1HG1      VAL  26   5.378  -6.920  -3.484
  218   2HG1  VAL  26          2HG1      VAL  26   4.072  -6.959  -2.299
  219   3HG1  VAL  26          3HG1      VAL  26   4.040  -5.777  -3.608
  220   1HG2  VAL  26          1HG2      VAL  26   5.222  -4.798   0.003
  221   2HG2  VAL  26          2HG2      VAL  26   4.131  -3.946  -1.089
  222   3HG2  VAL  26          3HG2      VAL  26   3.829  -5.634  -0.681
  223    H    LYS  27           H        LYS  27   6.547  -5.255   0.833
  224    HA   LYS  27           HA       LYS  27   7.866  -2.779   0.818
  225   1HB   LYS  27          1HB       LYS  27   7.447  -4.693   3.124
  226   2HB   LYS  27          2HB       LYS  27   7.892  -2.999   3.276
  227   1HG   LYS  27          1HG       LYS  27   5.784  -2.323   2.301
  228   2HG   LYS  27          2HG       LYS  27   5.340  -4.010   2.040
  229   1HD   LYS  27          1HD       LYS  27   4.229  -3.175   4.017
  230   2HD   LYS  27          2HD       LYS  27   5.433  -4.381   4.478
  231   1HE   LYS  27          1HE       LYS  27   6.995  -2.596   5.069
  232   2HE   LYS  27          2HE       LYS  27   5.797  -1.390   4.604
  233   1HZ   LYS  27          1HZ       LYS  27   4.328  -2.579   6.324
  234   2HZ   LYS  27          2HZ       LYS  27   5.777  -3.213   6.918
  235   3HZ   LYS  27          3HZ       LYS  27   5.540  -1.538   6.879
  236    H    ALA  28           H        ALA  28   8.997  -6.050   1.404
  237    HA   ALA  28           HA       ALA  28  11.541  -5.457   2.406
  238   1HB   ALA  28          1HB       ALA  28  12.120  -7.765   1.499
  239   2HB   ALA  28          2HB       ALA  28  10.798  -7.662   2.663
  240   3HB   ALA  28          3HB       ALA  28  10.447  -7.838   0.943
  241    H    LYS  29           H        LYS  29  10.362  -5.682  -0.917
  242    HA   LYS  29           HA       LYS  29  12.865  -5.661  -2.213
  243   1HB   LYS  29          1HB       LYS  29  10.358  -4.365  -3.285
  244   2HB   LYS  29          2HB       LYS  29  11.681  -5.068  -4.199
  245   1HG   LYS  29          1HG       LYS  29  11.045  -7.292  -3.311
  246   2HG   LYS  29          2HG       LYS  29   9.648  -6.532  -2.541
  247   1HD   LYS  29          1HD       LYS  29   8.860  -5.779  -4.742
  248   2HD   LYS  29          2HD       LYS  29  10.245  -6.564  -5.502
  249   1HE   LYS  29          1HE       LYS  29   8.307  -7.980  -5.711
  250   2HE   LYS  29          2HE       LYS  29   9.465  -8.729  -4.614
  251   1HZ   LYS  29          1HZ       LYS  29   8.162  -7.911  -2.747
  252   2HZ   LYS  29          2HZ       LYS  29   7.045  -7.210  -3.807
  253   3HZ   LYS  29          3HZ       LYS  29   7.223  -8.891  -3.754
  254    H    ILE  30           H        ILE  30  10.707  -3.119  -1.100
  255    HA   ILE  30           HA       ILE  30  12.006  -0.904  -2.152
  256    HB   ILE  30           HB       ILE  30  10.570  -1.131   0.495
  257   1HG1  ILE  30          1HG1      ILE  30   9.596  -0.308  -2.252
  258   2HG1  ILE  30          2HG1      ILE  30   9.180  -1.799  -1.413
  259   1HG2  ILE  30          1HG2      ILE  30  11.472   1.250  -1.116
  260   2HG2  ILE  30          2HG2      ILE  30  10.199   1.353   0.103
  261   3HG2  ILE  30          3HG2      ILE  30  11.829   0.870   0.570
  262   1HD1  ILE  30          1HD1      ILE  30   8.528   0.920  -0.322
  263   2HD1  ILE  30          2HD1      ILE  30   7.445   0.012  -1.378
  264   3HD1  ILE  30          3HD1      ILE  30   7.898  -0.645   0.194
  265    H    GLN  31           H        GLN  31  12.793  -2.932   0.588
  266    HA   GLN  31           HA       GLN  31  14.711  -1.261   1.827
  267   1HB   GLN  31          1HB       GLN  31  14.759  -4.283   1.692
  268   2HB   GLN  31          2HB       GLN  31  15.518  -3.264   2.907
  269   1HG   GLN  31          1HG       GLN  31  13.365  -2.602   3.758
  270   2HG   GLN  31          2HG       GLN  31  12.553  -3.505   2.482
  271   1HE2  GLN  31          2HE2      GLN  31  13.570  -3.586   5.613
  272   2HE2  GLN  31          1HE2      GLN  31  13.530  -5.291   5.887
  273    H    ASP  32           H        ASP  32  14.951  -3.898  -0.508
  274    HA   ASP  32           HA       ASP  32  17.696  -3.711  -1.016
  275   1HB   ASP  32          1HB       ASP  32  16.325  -5.630  -1.731
  276   2HB   ASP  32          2HB       ASP  32  15.481  -4.596  -2.879
  277    H    LYS  33           H        LYS  33  14.929  -1.993  -2.174
  278    HA   LYS  33           HA       LYS  33  16.159  -0.621  -4.328
  279   1HB   LYS  33          1HB       LYS  33  13.644  -0.123  -2.735
  280   2HB   LYS  33          2HB       LYS  33  14.126   0.885  -4.095
  281   1HG   LYS  33          1HG       LYS  33  13.580  -2.075  -4.212
  282   2HG   LYS  33          2HG       LYS  33  12.474  -0.802  -4.729
  283   1HD   LYS  33          1HD       LYS  33  15.212  -1.315  -5.891
  284   2HD   LYS  33          2HD       LYS  33  13.684  -1.809  -6.620
  285   1HE   LYS  33          1HE       LYS  33  12.997   0.535  -6.772
  286   2HE   LYS  33          2HE       LYS  33  14.526   1.028  -6.046
  287   1HZ   LYS  33          1HZ       LYS  33  15.251  -0.553  -8.151
  288   2HZ   LYS  33          2HZ       LYS  33  13.950   0.342  -8.755
  289   3HZ   LYS  33          3HZ       LYS  33  15.298   1.136  -8.111
  290    H    GLU  34           H        GLU  34  15.857  -0.018  -0.893
  291    HA   GLU  34           HA       GLU  34  17.684   2.250  -1.177
  292   1HB   GLU  34          1HB       GLU  34  15.086   2.318   0.360
  293   2HB   GLU  34          2HB       GLU  34  16.358   3.515   0.537
  294   1HG   GLU  34          1HG       GLU  34  14.952   2.908  -2.052
  295   2HG   GLU  34          2HG       GLU  34  14.499   4.208  -0.950
  296    H    GLY  35           H        GLY  35  15.859   0.703   1.501
  297   1HA   GLY  35          1HA       GLY  35  18.343   0.610   3.038
  298   2HA   GLY  35          2HA       GLY  35  17.598  -0.931   2.654
  299    H    ILE  36           H        ILE  36  15.783   1.978   3.383
  300    HA   ILE  36           HA       ILE  36  15.474   1.857   6.075
  301    HB   ILE  36           HB       ILE  36  12.979   2.597   5.444
  302   1HG1  ILE  36          1HG1      ILE  36  13.059   3.821   3.281
  303   2HG1  ILE  36          2HG1      ILE  36  14.621   3.089   2.943
  304   1HG2  ILE  36          1HG2      ILE  36  15.513   3.859   5.884
  305   2HG2  ILE  36          2HG2      ILE  36  14.549   4.818   4.761
  306   3HG2  ILE  36          3HG2      ILE  36  13.899   4.399   6.344
  307   1HD1  ILE  36          1HD1      ILE  36  12.554   1.140   3.550
  308   2HD1  ILE  36          2HD1      ILE  36  12.202   2.134   2.136
  309   3HD1  ILE  36          3HD1      ILE  36  13.702   1.208   2.213
  310    HA   PRO  37           HA       PRO  37  13.637  -1.977   7.292
  311   1HB   PRO  37          1HB       PRO  37  12.361  -0.140   9.272
  312   2HB   PRO  37          2HB       PRO  37  13.181  -1.682   9.544
  313   1HG   PRO  37          1HG       PRO  37  14.418   0.589  10.103
  314   2HG   PRO  37          2HG       PRO  37  15.300  -0.730   9.310
  315   1HD   PRO  37          1HD       PRO  37  14.236   1.805   8.153
  316   2HD   PRO  37          2HD       PRO  37  15.723   0.924   7.761
  317    HA   PRO  38           HA       PRO  38   9.570  -2.020   5.552
  318   1HB   PRO  38          1HB       PRO  38   8.822  -4.121   7.464
  319   2HB   PRO  38          2HB       PRO  38   8.963  -4.203   5.708
  320   1HG   PRO  38          1HG       PRO  38  10.732  -5.412   7.334
  321   2HG   PRO  38          2HG       PRO  38  11.209  -4.711   5.777
  322   1HD   PRO  38          1HD       PRO  38  11.549  -3.604   8.539
  323   2HD   PRO  38          2HD       PRO  38  12.682  -3.586   7.170
  324    H    ASP  39           H        ASP  39   9.701  -2.179   9.108
  325    HA   ASP  39           HA       ASP  39   7.053  -1.515   9.638
  326   1HB   ASP  39          1HB       ASP  39   7.847  -0.778  11.853
  327   2HB   ASP  39          2HB       ASP  39   8.552  -2.319  11.381
  328    H    GLN  40           H        GLN  40   9.834   0.572   9.018
  329    HA   GLN  40           HA       GLN  40   8.621   3.016   9.643
  330   1HB   GLN  40          1HB       GLN  40  10.790   2.389   7.639
  331   2HB   GLN  40          2HB       GLN  40  10.355   4.010   8.154
  332   1HG   GLN  40          1HG       GLN  40  11.068   3.569  10.388
  333   2HG   GLN  40          2HG       GLN  40  11.307   1.859  10.025
  334   1HE2  GLN  40          2HE2      GLN  40  12.275   3.337   7.322
  335   2HE2  GLN  40          1HE2      GLN  40  13.954   3.551   7.657
  336    H    GLN  41           H        GLN  41   8.750   1.172   6.645
  337    HA   GLN  41           HA       GLN  41   7.568   3.008   4.917
  338   1HB   GLN  41          1HB       GLN  41   7.347  -0.008   4.896
  339   2HB   GLN  41          2HB       GLN  41   6.998   1.051   3.535
  340   1HG   GLN  41          1HG       GLN  41   9.284   1.723   3.383
  341   2HG   GLN  41          2HG       GLN  41   9.683   0.880   4.877
  342   1HE2  GLN  41          2HE2      GLN  41  10.805  -0.877   4.505
  343   2HE2  GLN  41          1HE2      GLN  41  10.588  -1.973   3.188
  344    H    ARG  42           H        ARG  42   5.463   3.442   4.310
  345    HA   ARG  42           HA       ARG  42   3.325   2.162   5.828
  346   1HB   ARG  42          1HB       ARG  42   3.690   5.135   5.483
  347   2HB   ARG  42          2HB       ARG  42   2.222   4.387   6.092
  348   1HG   ARG  42          1HG       ARG  42   3.522   3.448   7.971
  349   2HG   ARG  42          2HG       ARG  42   4.941   4.312   7.379
  350   1HD   ARG  42          1HD       ARG  42   3.775   6.435   7.647
  351   2HD   ARG  42          2HD       ARG  42   2.334   5.586   8.199
  352    HE   ARG  42           HE       ARG  42   3.260   5.556  10.274
  353   1HH1  ARG  42          1HH1      ARG  42   5.845   5.776   7.947
  354   2HH1  ARG  42          2HH1      ARG  42   7.090   5.846   9.147
  355   1HH2  ARG  42          1HH2      ARG  42   4.894   5.648  11.858
  356   2HH2  ARG  42          2HH2      ARG  42   6.551   5.772  11.370
  357    H    LEU  43           H        LEU  43   2.094   1.211   4.352
  358    HA   LEU  43           HA       LEU  43   1.888   2.210   1.668
  359   1HB   LEU  43          1HB       LEU  43   0.622   0.277   1.181
  360   2HB   LEU  43          2HB       LEU  43   1.877  -0.223   2.291
  361    HG   LEU  43           HG       LEU  43  -1.030   0.219   2.976
  362   1HD1  LEU  43          1HD1      LEU  43   1.372  -0.187   4.664
  363   2HD1  LEU  43          2HD1      LEU  43  -0.106   0.718   4.989
  364   3HD1  LEU  43          3HD1      LEU  43  -0.106  -1.042   5.110
  365   1HD2  LEU  43          1HD2      LEU  43   0.658  -2.196   2.474
  366   2HD2  LEU  43          2HD2      LEU  43  -0.740  -2.286   3.546
  367   3HD2  LEU  43          3HD2      LEU  43  -0.950  -1.807   1.861
  368    H    ILE  44           H        ILE  44   0.210   3.274   0.716
  369    HA   ILE  44           HA       ILE  44  -2.150   3.883   2.354
  370    HB   ILE  44           HB       ILE  44  -0.415   5.893   0.933
  371   1HG1  ILE  44          1HG1      ILE  44  -1.392   5.694   3.791
  372   2HG1  ILE  44          2HG1      ILE  44   0.235   5.315   3.239
  373   1HG2  ILE  44          1HG2      ILE  44  -2.736   6.340   0.358
  374   2HG2  ILE  44          2HG2      ILE  44  -3.181   6.298   2.066
  375   3HG2  ILE  44          3HG2      ILE  44  -2.119   7.570   1.462
  376   1HD1  ILE  44          1HD1      ILE  44   0.017   7.827   2.331
  377   2HD1  ILE  44          2HD1      ILE  44  -1.038   7.914   3.741
  378   3HD1  ILE  44          3HD1      ILE  44   0.641   7.410   3.926
  379    H    PHE  45           H        PHE  45  -3.819   3.111   1.251
  380    HA   PHE  45           HA       PHE  45  -3.762   2.924  -1.637
  381   1HB   PHE  45          1HB       PHE  45  -5.982   2.181   0.280
  382   2HB   PHE  45          2HB       PHE  45  -5.870   1.725  -1.416
  383    HD1  PHE  45           HD1      PHE  45  -3.884   1.464   1.734
  384    HD2  PHE  45           HD2      PHE  45  -5.071  -0.365  -1.921
  385    HE1  PHE  45           HE1      PHE  45  -2.664  -0.575   2.364
  386    HE2  PHE  45           HE2      PHE  45  -3.853  -2.409  -1.295
  387    HZ   PHE  45           HZ       PHE  45  -2.647  -2.517   0.850
  388    H    ALA  46           H        ALA  46  -5.185   3.964  -3.063
  389    HA   ALA  46           HA       ALA  46  -7.099   5.883  -2.067
  390   1HB   ALA  46          1HB       ALA  46  -6.001   7.811  -2.373
  391   2HB   ALA  46          2HB       ALA  46  -5.222   7.246  -3.851
  392   3HB   ALA  46          3HB       ALA  46  -4.546   6.819  -2.279
  393    H    GLY  47           H        GLY  47  -8.766   5.939  -3.414
  394   1HA   GLY  47          1HA       GLY  47 -10.059   5.458  -5.255
  395   2HA   GLY  47          2HA       GLY  47  -8.714   4.527  -5.889
  396    H    LYS  48           H        LYS  48 -10.687   6.724  -6.865
  397    HA   LYS  48           HA       LYS  48  -8.976   7.814  -8.847
  398   1HB   LYS  48          1HB       LYS  48 -11.380   7.366  -9.204
  399   2HB   LYS  48          2HB       LYS  48 -11.773   8.656  -8.076
  400   1HG   LYS  48          1HG       LYS  48 -12.012   9.418 -10.360
  401   2HG   LYS  48          2HG       LYS  48 -10.696  10.278  -9.559
  402   1HD   LYS  48          1HD       LYS  48 -10.043   9.661 -11.814
  403   2HD   LYS  48          2HD       LYS  48  -9.077   8.775 -10.635
  404   1HE   LYS  48          1HE       LYS  48  -9.781   7.317 -12.456
  405   2HE   LYS  48          2HE       LYS  48 -10.502   6.814 -10.928
  406   1HZ   LYS  48          1HZ       LYS  48 -12.111   8.670 -12.437
  407   2HZ   LYS  48          2HZ       LYS  48 -11.860   7.191 -13.219
  408   3HZ   LYS  48          3HZ       LYS  48 -12.551   7.227 -11.675
  409    H    GLN  49           H        GLN  49  -7.350   8.737  -7.415
  410    HA   GLN  49           HA       GLN  49  -7.906  10.989  -5.802
  411   1HB   GLN  49          1HB       GLN  49  -5.345  10.233  -7.230
  412   2HB   GLN  49          2HB       GLN  49  -5.479  11.435  -5.954
  413   1HG   GLN  49          1HG       GLN  49  -6.189   9.692  -4.393
  414   2HG   GLN  49          2HG       GLN  49  -6.033   8.490  -5.674
  415   1HE2  GLN  49          2HE2      GLN  49  -4.241   7.364  -5.572
  416   2HE2  GLN  49          1HE2      GLN  49  -2.716   7.915  -4.978
  417    H    LEU  50           H        LEU  50  -9.046  12.570  -6.729
  418    HA   LEU  50           HA       LEU  50  -9.215  13.377  -9.310
  419   1HB   LEU  50          1HB       LEU  50  -9.351  15.041  -6.807
  420   2HB   LEU  50          2HB       LEU  50  -9.718  15.696  -8.390
  421    HG   LEU  50           HG       LEU  50 -11.762  15.107  -7.211
  422   1HD1  LEU  50          1HD1      LEU  50 -10.677  13.278  -5.849
  423   2HD1  LEU  50          2HD1      LEU  50 -12.294  12.936  -6.464
  424   3HD1  LEU  50          3HD1      LEU  50 -10.883  12.233  -7.256
  425   1HD2  LEU  50          1HD2      LEU  50 -11.016  14.171  -9.780
  426   2HD2  LEU  50          2HD2      LEU  50 -12.078  12.969  -9.046
  427   3HD2  LEU  50          3HD2      LEU  50 -12.613  14.642  -9.200
  428    H    GLU  51           H        GLU  51  -7.169  13.139 -10.283
  429    HA   GLU  51           HA       GLU  51  -4.826  14.464  -9.604
  430   1HB   GLU  51          1HB       GLU  51  -5.803  13.872 -12.403
  431   2HB   GLU  51          2HB       GLU  51  -4.136  14.146 -11.920
  432   1HG   GLU  51          1HG       GLU  51  -4.199  12.125 -10.558
  433   2HG   GLU  51          2HG       GLU  51  -5.870  11.849 -11.046
  434    H1   GLY  -1           H1       GLY  -1  -5.543  -9.650  13.477
  435    H2   GLY  -1           H2       GLY  -1  -6.980  -8.799  13.741
  436    H3   GLY  -1           H3       GLY  -1  -6.181  -8.671  12.255
  437   1HA   GLY  -1          1HA       GLY  -1  -5.360  -7.576  14.876
  438   2HA   GLY  -1          2HA       GLY  -1  -5.676  -6.695  13.391
  439    H    SER   0           H        SER   0  -3.783  -5.759  12.908
  440    HA   SER   0           HA       SER   0  -1.250  -6.903  13.429
  441   1HB   SER   0          1HB       SER   0  -1.847  -8.407  11.591
  442   2HB   SER   0          2HB       SER   0  -2.180  -7.021  10.550
  443    HG   SER   0           HG       SER   0   0.331  -7.639  11.722
  444    H    MET   1           H        MET   1  -2.989  -4.788  11.157
  445    HA   MET   1           HA       MET   1  -1.755  -2.438  12.107
  446   1HB   MET   1          1HB       MET   1  -0.321  -1.878  10.212
  447   2HB   MET   1          2HB       MET   1   0.226  -3.362  10.980
  448   1HG   MET   1          1HG       MET   1  -0.794  -4.684   9.229
  449   2HG   MET   1          2HG       MET   1  -1.446  -3.228   8.480
  450   1HE   MET   1          1HE       MET   1  -0.613  -3.933   6.308
  451   2HE   MET   1          2HE       MET   1   1.065  -3.917   5.763
  452   3HE   MET   1          3HE       MET   1   0.445  -5.300   6.662
  453    H    GLN   2           H        GLN   2  -3.272  -0.953  11.771
  454    HA   GLN   2           HA       GLN   2  -5.360  -1.320   9.868
  455   1HB   GLN   2          1HB       GLN   2  -6.091   0.947  10.624
  456   2HB   GLN   2          2HB       GLN   2  -5.867  -0.202  11.933
  457   1HG   GLN   2          1HG       GLN   2  -3.679   0.787  12.418
  458   2HG   GLN   2          2HG       GLN   2  -3.930   1.954  11.121
  459   1HE2  GLN   2          2HE2      GLN   2  -4.516   3.864  11.827
  460   2HE2  GLN   2          1HE2      GLN   2  -5.497   4.189  13.210
  461    H    ILE   3           H        ILE   3  -5.070  -1.031   7.755
  462    HA   ILE   3           HA       ILE   3  -2.951   0.529   6.666
  463    HB   ILE   3           HB       ILE   3  -4.000   0.033   4.473
  464   1HG1  ILE   3          1HG1      ILE   3  -6.057  -1.435   6.135
  465   2HG1  ILE   3          2HG1      ILE   3  -6.350   0.052   5.242
  466   1HG2  ILE   3          1HG2      ILE   3  -3.395  -2.119   6.452
  467   2HG2  ILE   3          2HG2      ILE   3  -3.880  -2.538   4.810
  468   3HG2  ILE   3          3HG2      ILE   3  -2.441  -1.556   5.080
  469   1HD1  ILE   3          1HD1      ILE   3  -5.570  -2.589   4.035
  470   2HD1  ILE   3          2HD1      ILE   3  -7.191  -1.895   4.054
  471   3HD1  ILE   3          3HD1      ILE   3  -5.901  -1.100   3.151
  472    H    PHE   4           H        PHE   4  -2.918   2.567   5.934
  473    HA   PHE   4           HA       PHE   4  -5.275   4.221   6.366
  474   1HB   PHE   4          1HB       PHE   4  -2.441   4.952   5.591
  475   2HB   PHE   4          2HB       PHE   4  -3.728   6.113   5.876
  476    HD1  PHE   4           HD1      PHE   4  -2.375   3.131   7.685
  477    HD2  PHE   4           HD2      PHE   4  -3.534   7.222   7.853
  478    HE1  PHE   4           HE1      PHE   4  -1.794   3.193  10.074
  479    HE2  PHE   4           HE2      PHE   4  -2.955   7.292  10.243
  480    HZ   PHE   4           HZ       PHE   4  -2.083   5.276  11.356
  481    H    VAL   5           H        VAL   5  -6.610   4.800   4.768
  482    HA   VAL   5           HA       VAL   5  -5.612   5.114   2.065
  483    HB   VAL   5           HB       VAL   5  -6.120   2.921   1.681
  484   1HG1  VAL   5          1HG1      VAL   5  -7.745   4.675   0.483
  485   2HG1  VAL   5          2HG1      VAL   5  -7.776   2.942   0.153
  486   3HG1  VAL   5          3HG1      VAL   5  -8.947   3.650   1.266
  487   1HG2  VAL   5          1HG2      VAL   5  -7.796   3.199   4.022
  488   2HG2  VAL   5          2HG2      VAL   5  -8.544   2.199   2.776
  489   3HG2  VAL   5          3HG2      VAL   5  -6.946   1.787   3.395
  490    H    LYS   6           H        LYS   6  -6.578   6.727   1.037
  491    HA   LYS   6           HA       LYS   6  -8.713   8.156   2.367
  492   1HB   LYS   6          1HB       LYS   6  -7.211   8.756  -0.187
  493   2HB   LYS   6          2HB       LYS   6  -8.372   9.834   0.575
  494   1HG   LYS   6          1HG       LYS   6  -6.943  10.004   2.538
  495   2HG   LYS   6          2HG       LYS   6  -5.786   8.898   1.799
  496   1HD   LYS   6          1HD       LYS   6  -5.406  10.478  -0.013
  497   2HD   LYS   6          2HD       LYS   6  -6.603  11.577   0.678
  498   1HE   LYS   6          1HE       LYS   6  -5.234  11.821   2.680
  499   2HE   LYS   6          2HE       LYS   6  -4.044  10.703   2.014
  500   1HZ   LYS   6          1HZ       LYS   6  -4.219  12.506   0.053
  501   2HZ   LYS   6          2HZ       LYS   6  -4.505  13.494   1.398
  502   3HZ   LYS   6          3HZ       LYS   6  -3.082  12.583   1.303
  503    H    THR   7           H        THR   7 -10.814   8.151   1.824
  504    HA   THR   7           HA       THR   7 -11.753   6.277  -0.124
  505    HB   THR   7           HB       THR   7 -14.012   7.078   0.478
  506    HG1  THR   7           HG1      THR   7 -13.936   9.150   1.041
  507   1HG2  THR   7          1HG2      THR   7 -12.061   6.332   2.627
  508   2HG2  THR   7          2HG2      THR   7 -13.757   6.617   3.016
  509   3HG2  THR   7          3HG2      THR   7 -13.315   5.350   1.871
  510    H    LEU   8           H        LEU   8 -14.039   7.758  -1.044
  511    HA   LEU   8           HA       LEU   8 -12.788   9.098  -3.286
  512   1HB   LEU   8          1HB       LEU   8 -15.706   8.548  -2.735
  513   2HB   LEU   8          2HB       LEU   8 -15.046   9.151  -4.242
  514    HG   LEU   8           HG       LEU   8 -15.511   6.824  -4.529
  515   1HD1  LEU   8          1HD1      LEU   8 -13.105   7.902  -5.076
  516   2HD1  LEU   8          2HD1      LEU   8 -12.626   6.527  -4.082
  517   3HD1  LEU   8          3HD1      LEU   8 -13.586   6.270  -5.539
  518   1HD2  LEU   8          1HD2      LEU   8 -15.261   6.495  -1.923
  519   2HD2  LEU   8          2HD2      LEU   8 -15.087   5.156  -3.058
  520   3HD2  LEU   8          3HD2      LEU   8 -13.655   5.947  -2.401
  521    H    THR   9           H        THR   9 -15.185   9.898  -0.781
  522    HA   THR   9           HA       THR   9 -15.426  12.620  -1.565
  523    HB   THR   9           HB       THR   9 -17.233  11.592  -0.342
  524    HG1  THR   9           HG1      THR   9 -16.997  13.173   1.645
  525   1HG2  THR   9          1HG2      THR   9 -15.728  10.061   0.996
  526   2HG2  THR   9          2HG2      THR   9 -15.440  11.426   2.073
  527   3HG2  THR   9          3HG2      THR   9 -17.070  10.781   1.883
  528    H    GLY  10           H        GLY  10 -13.604  10.992   1.024
  529   1HA   GLY  10          1HA       GLY  10 -12.427  13.506   1.872
  530   2HA   GLY  10          2HA       GLY  10 -11.330  12.423   1.029
  531    H    LYS  11           H        LYS  11 -13.923  11.438   3.201
  532    HA   LYS  11           HA       LYS  11 -12.606  11.249   5.601
  533   1HB   LYS  11          1HB       LYS  11 -14.991  10.782   5.349
  534   2HB   LYS  11          2HB       LYS  11 -14.625   9.307   4.467
  535   1HG   LYS  11          1HG       LYS  11 -13.455   8.469   6.509
  536   2HG   LYS  11          2HG       LYS  11 -14.061   9.888   7.364
  537   1HD   LYS  11          1HD       LYS  11 -16.365   9.202   6.807
  538   2HD   LYS  11          2HD       LYS  11 -15.720   7.749   6.038
  539   1HE   LYS  11          1HE       LYS  11 -14.752   7.044   8.163
  540   2HE   LYS  11          2HE       LYS  11 -15.375   8.501   8.938
  541   1HZ   LYS  11          1HZ       LYS  11 -17.383   6.973   7.553
  542   2HZ   LYS  11          2HZ       LYS  11 -16.657   6.130   8.828
  543   3HZ   LYS  11          3HZ       LYS  11 -17.403   7.620   9.115
  544    H    THR  12           H        THR  12 -11.040  10.041   6.443
  545    HA   THR  12           HA       THR  12  -9.660   8.130   4.768
  546    HB   THR  12           HB       THR  12  -9.085   8.866   7.636
  547    HG1  THR  12           HG1      THR  12  -7.410   9.942   5.785
  548   1HG2  THR  12          1HG2      THR  12  -7.635   7.316   5.536
  549   2HG2  THR  12          2HG2      THR  12  -6.709   8.228   6.729
  550   3HG2  THR  12          3HG2      THR  12  -7.827   6.971   7.254
  551    H    ILE  13           H        ILE  13  -9.542   5.930   5.083
  552    HA   ILE  13           HA       ILE  13 -11.327   4.849   7.159
  553    HB   ILE  13           HB       ILE  13 -11.533   2.839   5.635
  554   1HG1  ILE  13          1HG1      ILE  13 -10.494   4.818   3.593
  555   2HG1  ILE  13          2HG1      ILE  13  -9.604   3.418   4.181
  556   1HG2  ILE  13          1HG2      ILE  13 -12.750   5.493   5.390
  557   2HG2  ILE  13          2HG2      ILE  13 -13.001   4.431   3.999
  558   3HG2  ILE  13          3HG2      ILE  13 -13.500   3.909   5.609
  559   1HD1  ILE  13          1HD1      ILE  13 -11.719   2.121   3.348
  560   2HD1  ILE  13          2HD1      ILE  13 -11.928   3.553   2.341
  561   3HD1  ILE  13          3HD1      ILE  13 -10.445   2.604   2.228
  562    H    THR  14           H        THR  14 -10.534   3.488   8.580
  563    HA   THR  14           HA       THR  14  -7.811   2.450   8.161
  564    HB   THR  14           HB       THR  14  -7.955   2.177  10.760
  565    HG1  THR  14           HG1      THR  14  -9.332   4.467  11.016
  566   1HG2  THR  14          1HG2      THR  14  -7.559   4.837   9.396
  567   2HG2  THR  14          2HG2      THR  14  -7.053   4.469  11.045
  568   3HG2  THR  14          3HG2      THR  14  -6.335   3.601   9.687
  569    H    LEU  15           H        LEU  15  -7.416   0.317   8.382
  570    HA   LEU  15           HA       LEU  15  -9.211  -1.458   9.705
  571   1HB   LEU  15          1HB       LEU  15 -10.079  -2.678   7.886
  572   2HB   LEU  15          2HB       LEU  15 -10.350  -0.994   7.489
  573    HG   LEU  15           HG       LEU  15  -8.074  -1.292   6.162
  574   1HD1  LEU  15          1HD1      LEU  15 -10.682  -1.053   5.479
  575   2HD1  LEU  15          2HD1      LEU  15  -9.362  -1.182   4.318
  576   3HD1  LEU  15          3HD1      LEU  15 -10.293  -2.613   4.758
  577   1HD2  LEU  15          1HD2      LEU  15  -8.455  -3.871   7.106
  578   2HD2  LEU  15          2HD2      LEU  15  -8.993  -3.936   5.428
  579   3HD2  LEU  15          3HD2      LEU  15  -7.365  -3.373   5.811
  580    H    GLU  16           H        GLU  16  -7.907  -2.841  10.650
  581    HA   GLU  16           HA       GLU  16  -5.194  -3.152   9.899
  582   1HB   GLU  16          1HB       GLU  16  -4.997  -4.611  11.779
  583   2HB   GLU  16          2HB       GLU  16  -6.054  -3.286  12.234
  584   1HG   GLU  16          1HG       GLU  16  -6.934  -6.056  11.455
  585   2HG   GLU  16          2HG       GLU  16  -6.850  -5.414  13.090
  586    H    VAL  17           H        VAL  17  -4.096  -4.915   9.087
  587    HA   VAL  17           HA       VAL  17  -5.556  -7.259   8.189
  588    HB   VAL  17           HB       VAL  17  -4.570  -7.047   5.870
  589   1HG1  VAL  17          1HG1      VAL  17  -3.028  -5.157   6.627
  590   2HG1  VAL  17          2HG1      VAL  17  -3.809  -5.001   5.054
  591   3HG1  VAL  17          3HG1      VAL  17  -4.435  -4.112   6.442
  592   1HG2  VAL  17          1HG2      VAL  17  -6.685  -5.099   6.744
  593   2HG2  VAL  17          2HG2      VAL  17  -6.353  -5.531   5.067
  594   3HG2  VAL  17          3HG2      VAL  17  -6.922  -6.758   6.198
  595    H    GLU  18           H        GLU  18  -4.283  -9.047   7.956
  596    HA   GLU  18           HA       GLU  18  -1.751  -9.034   9.223
  597   1HB   GLU  18          1HB       GLU  18  -2.963 -11.205   7.504
  598   2HB   GLU  18          2HB       GLU  18  -1.668 -11.401   8.674
  599   1HG   GLU  18          1HG       GLU  18  -4.469 -10.542   9.351
  600   2HG   GLU  18          2HG       GLU  18  -3.861 -12.191   9.482
  601    HA   PRO  19           HA       PRO  19   1.032  -7.956   5.963
  602   1HB   PRO  19          1HB       PRO  19   3.084  -9.705   6.614
  603   2HB   PRO  19          2HB       PRO  19   2.844  -8.112   7.325
  604   1HG   PRO  19          1HG       PRO  19   2.082 -10.792   8.386
  605   2HG   PRO  19          2HG       PRO  19   2.714  -9.381   9.251
  606   1HD   PRO  19          1HD       PRO  19   0.117 -10.024   9.347
  607   2HD   PRO  19          2HD       PRO  19   0.646  -8.329   9.301
  608    H    SER  20           H        SER  20   0.507 -11.361   6.678
  609    HA   SER  20           HA       SER  20   1.511 -12.411   4.272
  610   1HB   SER  20          1HB       SER  20   1.172 -13.769   6.275
  611   2HB   SER  20          2HB       SER  20  -0.571 -13.541   6.151
  612    HG   SER  20           HG       SER  20   1.120 -14.906   4.331
  613    H    ASP  21           H        ASP  21  -1.608 -11.081   5.145
  614    HA   ASP  21           HA       ASP  21  -3.195 -12.097   3.111
  615   1HB   ASP  21          1HB       ASP  21  -3.256  -9.428   4.516
  616   2HB   ASP  21          2HB       ASP  21  -4.480  -9.913   3.350
  617    H    THR  22           H        THR  22  -3.343 -11.791   0.989
  618    HA   THR  22           HA       THR  22  -1.321 -10.481  -0.458
  619    HB   THR  22           HB       THR  22  -2.725 -10.892  -2.454
  620    HG1  THR  22           HG1      THR  22  -4.629 -12.326  -1.078
  621   1HG2  THR  22          1HG2      THR  22  -1.287 -12.661  -1.343
  622   2HG2  THR  22          2HG2      THR  22  -2.777 -13.303  -0.653
  623   3HG2  THR  22          3HG2      THR  22  -2.567 -13.252  -2.403
  624    H    ILE  23           H        ILE  23  -1.349  -8.623  -1.731
  625    HA   ILE  23           HA       ILE  23  -2.488  -6.339  -0.641
  626    HB   ILE  23           HB       ILE  23  -1.593  -6.766  -3.497
  627   1HG1  ILE  23          1HG1      ILE  23  -0.124  -5.648  -1.096
  628   2HG1  ILE  23          2HG1      ILE  23   0.158  -7.225  -1.827
  629   1HG2  ILE  23          1HG2      ILE  23  -2.135  -4.234  -1.954
  630   2HG2  ILE  23          2HG2      ILE  23  -1.297  -4.296  -3.504
  631   3HG2  ILE  23          3HG2      ILE  23  -2.978  -4.812  -3.391
  632   1HD1  ILE  23          1HD1      ILE  23   0.824  -6.079  -3.916
  633   2HD1  ILE  23          2HD1      ILE  23   0.666  -4.537  -3.076
  634   3HD1  ILE  23          3HD1      ILE  23   1.866  -5.714  -2.541
  635    H    GLU  24           H        GLU  24  -3.634  -8.367  -3.305
  636    HA   GLU  24           HA       GLU  24  -5.816  -6.758  -4.061
  637   1HB   GLU  24          1HB       GLU  24  -6.681  -8.786  -5.156
  638   2HB   GLU  24          2HB       GLU  24  -4.975  -8.537  -5.496
  639   1HG   GLU  24          1HG       GLU  24  -4.394 -10.209  -3.816
  640   2HG   GLU  24          2HG       GLU  24  -6.103 -10.460  -3.476
  641    H    ASN  25           H        ASN  25  -5.382  -9.072  -1.491
  642    HA   ASN  25           HA       ASN  25  -8.132  -9.478  -0.906
  643   1HB   ASN  25          1HB       ASN  25  -6.248 -10.985  -0.197
  644   2HB   ASN  25          2HB       ASN  25  -5.797  -9.766   0.990
  645   1HD2  ASN  25          2HD2      ASN  25  -7.350 -12.583   0.642
  646   2HD2  ASN  25          1HD2      ASN  25  -8.481 -12.479   1.941
  647    H    VAL  26           H        VAL  26  -5.635  -7.406   0.574
  648    HA   VAL  26           HA       VAL  26  -7.311  -6.247   2.504
  649    HB   VAL  26           HB       VAL  26  -5.628  -4.478   2.693
  650   1HG1  VAL  26          1HG1      VAL  26  -5.368  -6.969   3.499
  651   2HG1  VAL  26          2HG1      VAL  26  -4.017  -6.950   2.364
  652   3HG1  VAL  26          3HG1      VAL  26  -4.063  -5.800   3.701
  653   1HG2  VAL  26          1HG2      VAL  26  -5.176  -4.825   0.044
  654   2HG2  VAL  26          2HG2      VAL  26  -4.094  -3.968   1.141
  655   3HG2  VAL  26          3HG2      VAL  26  -3.790  -5.659   0.745
  656    H    LYS  27           H        LYS  27  -6.521  -5.271  -0.800
  657    HA   LYS  27           HA       LYS  27  -7.818  -2.780  -0.785
  658   1HB   LYS  27          1HB       LYS  27  -7.391  -4.693  -3.089
  659   2HB   LYS  27          2HB       LYS  27  -7.839  -3.000  -3.245
  660   1HG   LYS  27          1HG       LYS  27  -5.738  -2.317  -2.266
  661   2HG   LYS  27          2HG       LYS  27  -5.292  -4.002  -1.993
  662   1HD   LYS  27          1HD       LYS  27  -4.171  -3.176  -3.967
  663   2HD   LYS  27          2HD       LYS  27  -5.368  -4.387  -4.430
  664   1HE   LYS  27          1HE       LYS  27  -6.930  -2.610  -5.042
  665   2HE   LYS  27          2HE       LYS  27  -5.739  -1.398  -4.575
  666   1HZ   LYS  27          1HZ       LYS  27  -4.256  -2.608  -6.277
  667   2HZ   LYS  27          2HZ       LYS  27  -5.711  -3.224  -6.884
  668   3HZ   LYS  27          3HZ       LYS  27  -5.451  -1.552  -6.841
  669    H    ALA  28           H        ALA  28  -8.970  -6.039  -1.417
  670    HA   ALA  28           HA       ALA  28 -11.497  -5.427  -2.432
  671   1HB   ALA  28          1HB       ALA  28 -12.107  -7.729  -1.540
  672   2HB   ALA  28          2HB       ALA  28 -10.445  -7.817  -0.955
  673   3HB   ALA  28          3HB       ALA  28 -10.764  -7.635  -2.681
  674    H    LYS  29           H        LYS  29 -10.357  -5.635   0.901
  675    HA   LYS  29           HA       LYS  29 -12.876  -5.612   2.169
  676   1HB   LYS  29          1HB       LYS  29 -10.372  -4.320   3.259
  677   2HB   LYS  29          2HB       LYS  29 -11.711  -5.005   4.167
  678   1HG   LYS  29          1HG       LYS  29 -11.089  -7.242   3.294
  679   2HG   LYS  29          2HG       LYS  29  -9.675  -6.498   2.538
  680   1HD   LYS  29          1HD       LYS  29  -8.906  -5.745   4.746
  681   2HD   LYS  29          2HD       LYS  29 -10.307  -6.514   5.492
  682   1HE   LYS  29          1HE       LYS  29  -8.386  -7.948   5.729
  683   2HE   LYS  29          2HE       LYS  29  -9.539  -8.689   4.619
  684   1HZ   LYS  29          1HZ       LYS  29  -8.205  -7.896   2.766
  685   2HZ   LYS  29          2HZ       LYS  29  -7.098  -7.192   3.833
  686   3HZ   LYS  29          3HZ       LYS  29  -7.283  -8.874   3.793
  687    H    ILE  30           H        ILE  30 -10.714  -3.072   1.056
  688    HA   ILE  30           HA       ILE  30 -12.018  -0.850   2.089
  689    HB   ILE  30           HB       ILE  30 -10.569  -1.106  -0.549
  690   1HG1  ILE  30          1HG1      ILE  30  -9.624  -0.246   2.195
  691   2HG1  ILE  30          2HG1      ILE  30  -9.192  -1.737   1.370
  692   1HG2  ILE  30          1HG2      ILE  30 -11.479   1.302   1.015
  693   2HG2  ILE  30          2HG2      ILE  30 -10.211   1.381  -0.209
  694   3HG2  ILE  30          3HG2      ILE  30 -11.842   0.888  -0.661
  695   1HD1  ILE  30          1HD1      ILE  30  -8.542   0.979   0.274
  696   2HD1  ILE  30          2HD1      ILE  30  -7.463   0.076   1.336
  697   3HD1  ILE  30          3HD1      ILE  30  -7.907  -0.584  -0.239
  698    H    GLN  31           H        GLN  31 -12.788  -2.894  -0.642
  699    HA   GLN  31           HA       GLN  31 -14.711  -1.242  -1.895
  700   1HB   GLN  31          1HB       GLN  31 -14.729  -4.262  -1.746
  701   2HB   GLN  31          2HB       GLN  31 -15.505  -3.265  -2.962
  702   1HG   GLN  31          1HG       GLN  31 -13.367  -2.580  -3.828
  703   2HG   GLN  31          2HG       GLN  31 -12.535  -3.456  -2.544
  704   1HE2  GLN  31          2HE2      GLN  31 -13.547  -3.587  -5.673
  705   2HE2  GLN  31          1HE2      GLN  31 -13.485  -5.293  -5.928
  706    H    ASP  32           H        ASP  32 -14.950  -3.868   0.455
  707    HA   ASP  32           HA       ASP  32 -17.701  -3.683   0.944
  708   1HB   ASP  32          1HB       ASP  32 -16.322  -5.603   1.663
  709   2HB   ASP  32          2HB       ASP  32 -15.507  -4.569   2.833
  710    H    LYS  33           H        LYS  33 -14.948  -1.946   2.097
  711    HA   LYS  33           HA       LYS  33 -16.174  -0.604   4.270
  712   1HB   LYS  33          1HB       LYS  33 -13.675  -0.079   2.668
  713   2HB   LYS  33          2HB       LYS  33 -14.159   0.928   4.028
  714   1HG   LYS  33          1HG       LYS  33 -13.588  -2.028   4.142
  715   2HG   LYS  33          2HG       LYS  33 -12.497  -0.743   4.666
  716   1HD   LYS  33          1HD       LYS  33 -15.232  -1.292   5.817
  717   2HD   LYS  33          2HD       LYS  33 -13.701  -1.769   6.551
  718   1HE   LYS  33          1HE       LYS  33 -13.047   0.583   6.713
  719   2HE   LYS  33          2HE       LYS  33 -14.575   1.060   5.977
  720   1HZ   LYS  33          1HZ       LYS  33 -15.302  -0.530   8.072
  721   2HZ   LYS  33          2HZ       LYS  33 -14.010   0.370   8.689
  722   3HZ   LYS  33          3HZ       LYS  33 -15.358   1.160   8.039
  723    H    GLU  34           H        GLU  34 -15.918   0.058   0.838
  724    HA   GLU  34           HA       GLU  34 -17.763   2.306   1.191
  725   1HB   GLU  34          1HB       GLU  34 -15.179   2.430  -0.367
  726   2HB   GLU  34          2HB       GLU  34 -16.460   3.624  -0.499
  727   1HG   GLU  34          1HG       GLU  34 -15.031   2.958   2.063
  728   2HG   GLU  34          2HG       GLU  34 -14.582   4.280   0.987
  729    H    GLY  35           H        GLY  35 -15.953   0.644  -1.409
  730   1HA   GLY  35          1HA       GLY  35 -18.512   0.409  -2.867
  731   2HA   GLY  35          2HA       GLY  35 -17.374  -0.924  -2.774
  732    H    ILE  36           H        ILE  36 -14.990   0.519  -3.139
  733    HA   ILE  36           HA       ILE  36 -15.330   1.621  -5.846
  734    HB   ILE  36           HB       ILE  36 -12.691   2.039  -4.732
  735   1HG1  ILE  36          1HG1      ILE  36 -13.532   3.854  -3.116
  736   2HG1  ILE  36          2HG1      ILE  36 -15.064   2.990  -3.136
  737   1HG2  ILE  36          1HG2      ILE  36 -14.782   3.497  -6.176
  738   2HG2  ILE  36          2HG2      ILE  36 -13.763   4.494  -5.138
  739   3HG2  ILE  36          3HG2      ILE  36 -13.031   3.496  -6.396
  740   1HD1  ILE  36          1HD1      ILE  36 -13.016   1.104  -2.641
  741   2HD1  ILE  36          2HD1      ILE  36 -12.767   2.484  -1.572
  742   3HD1  ILE  36          3HD1      ILE  36 -14.312   1.635  -1.569
  743    HA   PRO  37           HA       PRO  37 -13.440  -1.978  -7.603
  744   1HB   PRO  37          1HB       PRO  37 -12.195   0.023  -9.431
  745   2HB   PRO  37          2HB       PRO  37 -13.084  -1.452  -9.817
  746   1HG   PRO  37          1HG       PRO  37 -14.235   0.927 -10.099
  747   2HG   PRO  37          2HG       PRO  37 -15.152  -0.453  -9.466
  748   1HD   PRO  37          1HD       PRO  37 -14.008   1.891  -8.014
  749   2HD   PRO  37          2HD       PRO  37 -15.518   1.007  -7.720
  750    HA   PRO  38           HA       PRO  38  -9.458  -2.088  -5.668
  751   1HB   PRO  38          1HB       PRO  38  -8.792  -4.189  -7.641
  752   2HB   PRO  38          2HB       PRO  38  -8.808  -4.265  -5.877
  753   1HG   PRO  38          1HG       PRO  38 -10.701  -5.467  -7.335
  754   2HG   PRO  38          2HG       PRO  38 -11.075  -4.699  -5.781
  755   1HD   PRO  38          1HD       PRO  38 -11.571  -3.703  -8.558
  756   2HD   PRO  38          2HD       PRO  38 -12.599  -3.579  -7.115
  757    H    ASP  39           H        ASP  39  -9.603  -2.156  -9.215
  758    HA   ASP  39           HA       ASP  39  -6.928  -1.500  -9.708
  759   1HB   ASP  39          1HB       ASP  39  -7.709  -0.772 -11.937
  760   2HB   ASP  39          2HB       ASP  39  -8.379  -2.332 -11.474
  761    H    GLN  40           H        GLN  40  -9.746   0.544  -9.102
  762    HA   GLN  40           HA       GLN  40  -8.522   2.993  -9.723
  763   1HB   GLN  40          1HB       GLN  40 -10.795   2.388  -7.831
  764   2HB   GLN  40          2HB       GLN  40 -10.344   4.000  -8.363
  765   1HG   GLN  40          1HG       GLN  40 -10.820   3.375 -10.675
  766   2HG   GLN  40          2HG       GLN  40 -11.271   1.757 -10.143
  767   1HE2  GLN  40          2HE2      GLN  40 -12.288   3.676  -7.735
  768   2HE2  GLN  40          1HE2      GLN  40 -13.899   3.998  -8.261
  769    H    GLN  41           H        GLN  41  -8.680   1.118  -6.752
  770    HA   GLN  41           HA       GLN  41  -7.587   3.011  -4.994
  771   1HB   GLN  41          1HB       GLN  41  -7.376  -0.006  -4.929
  772   2HB   GLN  41          2HB       GLN  41  -7.032   1.066  -3.577
  773   1HG   GLN  41          1HG       GLN  41  -9.313   1.756  -3.455
  774   2HG   GLN  41          2HG       GLN  41  -9.704   0.903  -4.945
  775   1HE2  GLN  41          2HE2      GLN  41 -10.847  -0.837  -4.569
  776   2HE2  GLN  41          1HE2      GLN  41 -10.653  -1.925  -3.241
  777    H    ARG  42           H        ARG  42  -5.471   3.417  -4.315
  778    HA   ARG  42           HA       ARG  42  -3.322   2.122  -5.802
  779   1HB   ARG  42          1HB       ARG  42  -3.665   5.103  -5.502
  780   2HB   ARG  42          2HB       ARG  42  -2.208   4.329  -6.108
  781   1HG   ARG  42          1HG       ARG  42  -3.534   3.379  -7.967
  782   2HG   ARG  42          2HG       ARG  42  -4.932   4.285  -7.385
  783   1HD   ARG  42          1HD       ARG  42  -3.716   6.377  -7.691
  784   2HD   ARG  42          2HD       ARG  42  -2.299   5.484  -8.237
  785    HE   ARG  42           HE       ARG  42  -3.235   5.445 -10.305
  786   1HH1  ARG  42          1HH1      ARG  42  -5.803   5.764  -7.970
  787   2HH1  ARG  42          2HH1      ARG  42  -7.052   5.854  -9.166
  788   1HH2  ARG  42          1HH2      ARG  42  -4.873   5.565 -11.884
  789   2HH2  ARG  42          2HH2      ARG  42  -6.523   5.741 -11.390
  790    H    LEU  43           H        LEU  43  -2.000   1.250  -4.356
  791    HA   LEU  43           HA       LEU  43  -1.844   2.265  -1.669
  792   1HB   LEU  43          1HB       LEU  43   0.041   0.452  -1.574
  793   2HB   LEU  43          2HB       LEU  43  -1.647  -0.005  -1.590
  794    HG   LEU  43           HG       LEU  43  -1.503  -0.548  -3.967
  795   1HD1  LEU  43          1HD1      LEU  43   1.021   0.876  -3.763
  796   2HD1  LEU  43          2HD1      LEU  43   1.172  -0.688  -4.564
  797   3HD1  LEU  43          3HD1      LEU  43   0.032   0.511  -5.176
  798   1HD2  LEU  43          1HD2      LEU  43   0.468  -1.797  -2.089
  799   2HD2  LEU  43          2HD2      LEU  43  -1.103  -2.401  -2.617
  800   3HD2  LEU  43          3HD2      LEU  43   0.262  -2.397  -3.734
  801    H    ILE  44           H        ILE  44  -0.082   3.195  -0.655
  802    HA   ILE  44           HA       ILE  44   2.211   3.955  -2.305
  803    HB   ILE  44           HB       ILE  44   0.451   5.916  -0.839
  804   1HG1  ILE  44          1HG1      ILE  44   1.344   5.751  -3.725
  805   2HG1  ILE  44          2HG1      ILE  44  -0.254   5.326  -3.124
  806   1HG2  ILE  44          1HG2      ILE  44   2.832   6.349  -0.376
  807   2HG2  ILE  44          2HG2      ILE  44   3.134   6.430  -2.113
  808   3HG2  ILE  44          3HG2      ILE  44   2.090   7.626  -1.343
  809   1HD1  ILE  44          1HD1      ILE  44  -0.107   7.828  -2.215
  810   2HD1  ILE  44          2HD1      ILE  44   0.944   7.967  -3.624
  811   3HD1  ILE  44          3HD1      ILE  44  -0.719   7.414  -3.817
  812    H    PHE  45           H        PHE  45   3.833   3.094  -1.187
  813    HA   PHE  45           HA       PHE  45   3.773   2.936   1.696
  814   1HB   PHE  45          1HB       PHE  45   5.986   2.164  -0.217
  815   2HB   PHE  45          2HB       PHE  45   5.875   1.719   1.483
  816    HD1  PHE  45           HD1      PHE  45   3.853   1.464  -1.647
  817    HD2  PHE  45           HD2      PHE  45   5.082  -0.369   1.991
  818    HE1  PHE  45           HE1      PHE  45   2.611  -0.570  -2.258
  819    HE2  PHE  45           HE2      PHE  45   3.844  -2.407   1.385
  820    HZ   PHE  45           HZ       PHE  45   2.607  -2.510  -0.742
  821    H    ALA  46           H        ALA  46   5.157   3.990   3.127
  822    HA   ALA  46           HA       ALA  46   7.114   5.877   2.148
  823   1HB   ALA  46          1HB       ALA  46   6.027   7.817   2.416
  824   2HB   ALA  46          2HB       ALA  46   5.220   7.275   3.886
  825   3HB   ALA  46          3HB       ALA  46   4.565   6.837   2.307
  826    H    GLY  47           H        GLY  47   8.757   5.906   3.525
  827   1HA   GLY  47          1HA       GLY  47  10.007   5.432   5.394
  828   2HA   GLY  47          2HA       GLY  47   8.641   4.518   6.006
  829    H    LYS  48           H        LYS  48  10.615   6.678   7.030
  830    HA   LYS  48           HA       LYS  48   8.872   7.801   8.962
  831   1HB   LYS  48          1HB       LYS  48  11.248   7.320   9.401
  832   2HB   LYS  48          2HB       LYS  48  11.707   8.576   8.259
  833   1HG   LYS  48          1HG       LYS  48  11.908   9.395  10.518
  834   2HG   LYS  48          2HG       LYS  48  10.612  10.251   9.682
  835   1HD   LYS  48          1HD       LYS  48   9.920   9.688  11.937
  836   2HD   LYS  48          2HD       LYS  48   8.965   8.780  10.766
  837   1HE   LYS  48          1HE       LYS  48   9.640   7.366  12.634
  838   2HE   LYS  48          2HE       LYS  48  10.368   6.818  11.125
  839   1HZ   LYS  48          1HZ       LYS  48  11.972   8.700  12.619
  840   2HZ   LYS  48          2HZ       LYS  48  11.718   7.224  13.408
  841   3HZ   LYS  48          3HZ       LYS  48  12.418   7.252  11.868
  842    H    GLN  49           H        GLN  49   7.304   8.757   7.479
  843    HA   GLN  49           HA       GLN  49   7.946  10.991   5.872
  844   1HB   GLN  49          1HB       GLN  49   5.335  10.312   7.248
  845   2HB   GLN  49          2HB       GLN  49   5.529  11.479   5.948
  846   1HG   GLN  49          1HG       GLN  49   6.217   9.691   4.439
  847   2HG   GLN  49          2HG       GLN  49   6.033   8.519   5.743
  848   1HE2  GLN  49          2HE2      GLN  49   4.227   7.413   5.650
  849   2HE2  GLN  49          1HE2      GLN  49   2.714   7.970   5.028
  850    H    LEU  50           H        LEU  50   8.890  12.747   6.674
  851    HA   LEU  50           HA       LEU  50   9.072  13.507   9.314
  852   1HB   LEU  50          1HB       LEU  50   9.232  15.156   6.803
  853   2HB   LEU  50          2HB       LEU  50   9.548  15.832   8.388
  854    HG   LEU  50           HG       LEU  50  11.628  15.270   7.249
  855   1HD1  LEU  50          1HD1      LEU  50  10.634  13.394   5.900
  856   2HD1  LEU  50          2HD1      LEU  50  12.224  13.076   6.591
  857   3HD1  LEU  50          3HD1      LEU  50  10.784  12.386   7.339
  858   1HD2  LEU  50          1HD2      LEU  50  10.850  14.373   9.826
  859   2HD2  LEU  50          2HD2      LEU  50  11.962  13.190   9.140
  860   3HD2  LEU  50          3HD2      LEU  50  12.444  14.881   9.269
  861    H    GLU  51           H        GLU  51   6.931  13.159  10.143
  862    HA   GLU  51           HA       GLU  51   4.759  14.842   9.360
  863   1HB   GLU  51          1HB       GLU  51   3.666  13.953  11.424
  864   2HB   GLU  51          2HB       GLU  51   4.254  12.710  10.330
  865   1HG   GLU  51          1HG       GLU  51   6.229  12.410  11.737
  866   2HG   GLU  51          2HG       GLU  51   5.619  13.641  12.841

  No H/Q in entry =         866
  Start of MODEL    4
    1    H1   GLY  -1           H1       GLY  -1   3.643  -4.486 -17.000
    2    H2   GLY  -1           H2       GLY  -1   5.250  -4.528 -17.526
    3    H3   GLY  -1           H3       GLY  -1   4.061  -5.380 -18.374
    4   1HA   GLY  -1          1HA       GLY  -1   5.660  -6.572 -16.678
    5   2HA   GLY  -1          2HA       GLY  -1   4.000  -7.089 -16.916
    6    H    SER   0           H        SER   0   3.326  -7.737 -14.966
    7    HA   SER   0           HA       SER   0   2.630  -7.631 -12.805
    8   1HB   SER   0          1HB       SER   0   5.067  -7.819 -12.422
    9   2HB   SER   0          2HB       SER   0   5.195  -6.062 -12.435
   10    HG   SER   0           HG       SER   0   3.308  -6.649 -10.714
   11    H    MET   1           H        MET   1   3.803  -5.003 -11.329
   12    HA   MET   1           HA       MET   1   2.215  -2.915 -12.442
   13   1HB   MET   1          1HB       MET   1   0.654  -2.707 -10.504
   14   2HB   MET   1          2HB       MET   1   0.363  -4.119 -11.509
   15   1HG   MET   1          1HG       MET   1   1.405  -5.554  -9.902
   16   2HG   MET   1          2HG       MET   1   1.925  -4.175  -8.939
   17   1HE   MET   1          1HE       MET   1   0.397  -2.406  -8.318
   18   2HE   MET   1          2HE       MET   1  -1.348  -2.448  -8.575
   19   3HE   MET   1          3HE       MET   1  -0.674  -2.922  -7.015
   20    H    GLN   2           H        GLN   2   3.407  -1.196 -12.066
   21    HA   GLN   2           HA       GLN   2   5.403  -1.072 -10.060
   22   1HB   GLN   2          1HB       GLN   2   5.696   1.256 -10.828
   23   2HB   GLN   2          2HB       GLN   2   5.665   0.110 -12.162
   24   1HG   GLN   2          1HG       GLN   2   3.297   0.690 -12.551
   25   2HG   GLN   2          2HG       GLN   2   3.417   1.906 -11.280
   26   1HE2  GLN   2          2HE2      GLN   2   3.702   3.875 -12.007
   27   2HE2  GLN   2          1HE2      GLN   2   4.540   4.325 -13.450
   28    H    ILE   3           H        ILE   3   5.399  -0.172  -8.083
   29    HA   ILE   3           HA       ILE   3   2.853   0.912  -7.094
   30    HB   ILE   3           HB       ILE   3   3.545   0.267  -4.864
   31   1HG1  ILE   3          1HG1      ILE   3   6.056  -0.822  -6.154
   32   2HG1  ILE   3          2HG1      ILE   3   5.978   0.635  -5.172
   33   1HG2  ILE   3          1HG2      ILE   3   2.387  -1.399  -6.200
   34   2HG2  ILE   3          2HG2      ILE   3   3.925  -1.981  -6.835
   35   3HG2  ILE   3          3HG2      ILE   3   3.551  -2.167  -5.121
   36   1HD1  ILE   3          1HD1      ILE   3   4.837  -1.614  -3.780
   37   2HD1  ILE   3          2HD1      ILE   3   6.490  -1.944  -4.304
   38   3HD1  ILE   3          3HD1      ILE   3   6.148  -0.533  -3.302
   39    H    PHE   4           H        PHE   4   2.805   2.818  -5.934
   40    HA   PHE   4           HA       PHE   4   5.087   4.577  -6.352
   41   1HB   PHE   4          1HB       PHE   4   2.299   5.125  -5.309
   42   2HB   PHE   4          2HB       PHE   4   3.537   6.355  -5.524
   43    HD1  PHE   4           HD1      PHE   4   3.123   7.697  -7.320
   44    HD2  PHE   4           HD2      PHE   4   2.236   3.545  -7.624
   45    HE1  PHE   4           HE1      PHE   4   2.401   8.025  -9.650
   46    HE2  PHE   4           HE2      PHE   4   1.517   3.865  -9.955
   47    HZ   PHE   4           HZ       PHE   4   1.599   6.107 -10.970
   48    H    VAL   5           H        VAL   5   6.485   5.146  -4.793
   49    HA   VAL   5           HA       VAL   5   5.730   4.932  -1.986
   50    HB   VAL   5           HB       VAL   5   8.056   3.393  -3.152
   51   1HG1  VAL   5          1HG1      VAL   5   7.823   4.586  -0.607
   52   2HG1  VAL   5          2HG1      VAL   5   7.611   2.849  -0.388
   53   3HG1  VAL   5          3HG1      VAL   5   9.062   3.468  -1.176
   54   1HG2  VAL   5          1HG2      VAL   5   5.352   2.660  -2.259
   55   2HG2  VAL   5          2HG2      VAL   5   6.429   1.860  -3.406
   56   3HG2  VAL   5          3HG2      VAL   5   6.652   1.622  -1.673
   57    H    LYS   6           H        LYS   6   6.563   6.565  -0.850
   58    HA   LYS   6           HA       LYS   6   8.436   8.363  -2.138
   59   1HB   LYS   6          1HB       LYS   6   7.050   8.554   0.542
   60   2HB   LYS   6          2HB       LYS   6   8.012   9.825  -0.197
   61   1HG   LYS   6          1HG       LYS   6   6.427   9.952  -2.050
   62   2HG   LYS   6          2HG       LYS   6   5.463   8.674  -1.311
   63   1HD   LYS   6          1HD       LYS   6   5.086  10.090   0.647
   64   2HD   LYS   6          2HD       LYS   6   6.051  11.368  -0.089
   65   1HE   LYS   6          1HE       LYS   6   4.460  11.500  -1.943
   66   2HE   LYS   6          2HE       LYS   6   3.494  10.225  -1.204
   67   1HZ   LYS   6          1HZ       LYS   6   4.035  12.430   0.561
   68   2HZ   LYS   6          2HZ       LYS   6   3.143  12.872  -0.808
   69   3HZ   LYS   6          3HZ       LYS   6   2.572  11.654   0.217
   70    H    THR   7           H        THR   7  10.562   8.412  -1.779
   71    HA   THR   7           HA       THR   7  11.782   6.519  -0.022
   72    HB   THR   7           HB       THR   7  13.922   7.551  -0.725
   73    HG1  THR   7           HG1      THR   7  12.393   9.640  -1.236
   74   1HG2  THR   7          1HG2      THR   7  12.591   5.851  -2.117
   75   2HG2  THR   7          2HG2      THR   7  12.196   7.217  -3.161
   76   3HG2  THR   7          3HG2      THR   7  13.879   6.745  -2.925
   77    H    LEU   8           H        LEU   8  14.012   8.127   0.854
   78    HA   LEU   8           HA       LEU   8  12.915   9.066   3.323
   79   1HB   LEU   8          1HB       LEU   8  15.726   9.349   2.262
   80   2HB   LEU   8          2HB       LEU   8  15.221   9.596   3.921
   81    HG   LEU   8           HG       LEU   8  15.271   6.984   2.409
   82   1HD1  LEU   8          1HD1      LEU   8  16.998   8.302   4.405
   83   2HD1  LEU   8          2HD1      LEU   8  16.692   6.581   4.637
   84   3HD1  LEU   8          3HD1      LEU   8  17.404   7.153   3.130
   85   1HD2  LEU   8          1HD2      LEU   8  13.342   7.502   4.140
   86   2HD2  LEU   8          2HD2      LEU   8  14.142   5.933   4.074
   87   3HD2  LEU   8          3HD2      LEU   8  14.616   7.114   5.295
   88    H    THR   9           H        THR   9  14.608  10.651   0.623
   89    HA   THR   9           HA       THR   9  14.259  13.274   1.689
   90    HB   THR   9           HB       THR   9  15.066  14.066  -0.498
   91    HG1  THR   9           HG1      THR   9  15.382  11.390  -1.330
   92   1HG2  THR   9          1HG2      THR   9  16.585  13.102   1.333
   93   2HG2  THR   9          2HG2      THR   9  16.735  11.692   0.282
   94   3HG2  THR   9          3HG2      THR   9  17.264  13.277  -0.286
   95    H    GLY  10           H        GLY  10  12.641  11.434  -0.896
   96   1HA   GLY  10          1HA       GLY  10  10.775  13.600  -1.373
   97   2HA   GLY  10          2HA       GLY  10  10.089  12.215  -0.543
   98    H    LYS  11           H        LYS  11  12.605  11.966  -2.967
   99    HA   LYS  11           HA       LYS  11  11.232  11.713  -5.306
  100   1HB   LYS  11          1HB       LYS  11  13.670  11.580  -5.151
  101   2HB   LYS  11          2HB       LYS  11  13.549   9.999  -4.395
  102   1HG   LYS  11          1HG       LYS  11  12.459   9.156  -6.462
  103   2HG   LYS  11          2HG       LYS  11  12.772  10.724  -7.210
  104   1HD   LYS  11          1HD       LYS  11  15.183  10.404  -6.812
  105   2HD   LYS  11          2HD       LYS  11  14.842   8.811  -6.133
  106   1HE   LYS  11          1HE       LYS  11  15.562   8.632  -8.453
  107   2HE   LYS  11          2HE       LYS  11  13.891   8.099  -8.267
  108   1HZ   LYS  11          1HZ       LYS  11  14.394  10.893  -8.995
  109   2HZ   LYS  11          2HZ       LYS  11  14.584   9.708 -10.187
  110   3HZ   LYS  11          3HZ       LYS  11  13.094   9.891  -9.404
  111    H    THR  12           H        THR  12   9.801  10.368  -6.177
  112    HA   THR  12           HA       THR  12   8.827   8.129  -4.615
  113    HB   THR  12           HB       THR  12   7.875   9.161  -7.292
  114    HG1  THR  12           HG1      THR  12   6.101   9.796  -5.582
  115   1HG2  THR  12          1HG2      THR  12   7.318   6.755  -6.566
  116   2HG2  THR  12          2HG2      THR  12   6.293   7.510  -5.346
  117   3HG2  THR  12          3HG2      THR  12   5.985   7.800  -7.057
  118    H    ILE  13           H        ILE  13   9.125   6.010  -5.063
  119    HA   ILE  13           HA       ILE  13  10.912   5.358  -7.293
  120    HB   ILE  13           HB       ILE  13  11.036   3.100  -6.111
  121   1HG1  ILE  13          1HG1      ILE  13   9.865   4.749  -3.867
  122   2HG1  ILE  13          2HG1      ILE  13   9.067   3.408  -4.683
  123   1HG2  ILE  13          1HG2      ILE  13  12.277   5.645  -5.367
  124   2HG2  ILE  13          2HG2      ILE  13  12.442   4.343  -4.184
  125   3HG2  ILE  13          3HG2      ILE  13  13.002   4.106  -5.840
  126   1HD1  ILE  13          1HD1      ILE  13  11.706   2.859  -3.483
  127   2HD1  ILE  13          2HD1      ILE  13  10.357   3.137  -2.381
  128   3HD1  ILE  13          3HD1      ILE  13  10.265   1.848  -3.580
  129    H    THR  14           H        THR  14  10.234   4.261  -8.998
  130    HA   THR  14           HA       THR  14   7.519   3.170  -8.982
  131    HB   THR  14           HB       THR  14   9.313   3.150 -11.396
  132    HG1  THR  14           HG1      THR  14   9.148   5.264 -11.626
  133   1HG2  THR  14          1HG2      THR  14   6.417   2.995 -10.788
  134   2HG2  THR  14          2HG2      THR  14   6.879   3.840 -12.266
  135   3HG2  THR  14          3HG2      THR  14   7.359   2.161 -12.024
  136    H    LEU  15           H        LEU  15   7.324   1.074  -8.432
  137    HA   LEU  15           HA       LEU  15   9.373  -0.802  -9.347
  138   1HB   LEU  15          1HB       LEU  15  10.212  -0.274  -7.220
  139   2HB   LEU  15          2HB       LEU  15   8.614  -0.209  -6.506
  140    HG   LEU  15           HG       LEU  15   9.610  -2.841  -7.510
  141   1HD1  LEU  15          1HD1      LEU  15  11.170  -1.357  -5.805
  142   2HD1  LEU  15          2HD1      LEU  15  10.182  -2.315  -4.702
  143   3HD1  LEU  15          3HD1      LEU  15  11.165  -3.116  -5.929
  144   1HD2  LEU  15          1HD2      LEU  15   7.388  -1.870  -6.057
  145   2HD2  LEU  15          2HD2      LEU  15   7.777  -3.540  -6.467
  146   3HD2  LEU  15          3HD2      LEU  15   8.356  -2.847  -4.953
  147    H    GLU  16           H        GLU  16   8.364  -2.322 -10.435
  148    HA   GLU  16           HA       GLU  16   5.583  -2.908 -10.076
  149   1HB   GLU  16          1HB       GLU  16   5.890  -4.501 -11.899
  150   2HB   GLU  16          2HB       GLU  16   6.632  -2.957 -12.297
  151   1HG   GLU  16          1HG       GLU  16   8.826  -3.855 -11.727
  152   2HG   GLU  16          2HG       GLU  16   8.087  -5.400 -11.310
  153    H    VAL  17           H        VAL  17   4.641  -4.766  -9.272
  154    HA   VAL  17           HA       VAL  17   6.123  -7.036  -8.420
  155    HB   VAL  17           HB       VAL  17   6.782  -5.402  -6.656
  156   1HG1  VAL  17          1HG1      VAL  17   6.100  -8.038  -6.406
  157   2HG1  VAL  17          2HG1      VAL  17   6.956  -7.079  -5.199
  158   3HG1  VAL  17          3HG1      VAL  17   5.209  -7.285  -5.084
  159   1HG2  VAL  17          1HG2      VAL  17   3.831  -5.431  -6.075
  160   2HG2  VAL  17          2HG2      VAL  17   5.048  -4.867  -4.930
  161   3HG2  VAL  17          3HG2      VAL  17   4.843  -4.042  -6.475
  162    H    GLU  18           H        GLU  18   4.795  -8.753  -8.097
  163    HA   GLU  18           HA       GLU  18   2.217  -8.757  -9.050
  164   1HB   GLU  18          1HB       GLU  18   3.338 -10.677  -7.005
  165   2HB   GLU  18          2HB       GLU  18   1.992 -10.981  -8.096
  166   1HG   GLU  18          1HG       GLU  18   3.508 -10.775 -10.008
  167   2HG   GLU  18          2HG       GLU  18   4.853 -10.507  -8.900
  168    HA   PRO  19           HA       PRO  19  -0.335  -7.004  -5.876
  169   1HB   PRO  19          1HB       PRO  19  -2.689  -8.192  -6.543
  170   2HB   PRO  19          2HB       PRO  19  -2.000  -6.851  -7.453
  171   1HG   PRO  19          1HG       PRO  19  -1.867  -9.785  -8.016
  172   2HG   PRO  19          2HG       PRO  19  -2.220  -8.455  -9.130
  173   1HD   PRO  19          1HD       PRO  19   0.214  -9.573  -9.025
  174   2HD   PRO  19          2HD       PRO  19   0.007  -7.830  -9.280
  175    H    SER  20           H        SER  20  -0.675 -10.476  -6.537
  176    HA   SER  20           HA       SER  20  -1.825 -11.169  -4.061
  177   1HB   SER  20          1HB       SER  20  -0.165 -12.875  -5.933
  178   2HB   SER  20          2HB       SER  20  -1.199 -13.478  -4.641
  179    HG   SER  20           HG       SER  20  -1.995 -13.259  -6.987
  180    H    ASP  21           H        ASP  21   1.396 -10.432  -5.007
  181    HA   ASP  21           HA       ASP  21   2.919 -11.818  -3.150
  182   1HB   ASP  21          1HB       ASP  21   3.880 -10.479  -4.980
  183   2HB   ASP  21          2HB       ASP  21   3.353  -9.003  -4.178
  184    H    THR  22           H        THR  22   3.230 -11.673  -1.010
  185    HA   THR  22           HA       THR  22   1.449 -10.338   0.653
  186    HB   THR  22           HB       THR  22   3.002 -10.861   2.506
  187    HG1  THR  22           HG1      THR  22   4.752 -11.144   0.378
  188   1HG2  THR  22          1HG2      THR  22   1.435 -12.546   1.402
  189   2HG2  THR  22          2HG2      THR  22   2.877 -13.207   0.630
  190   3HG2  THR  22          3HG2      THR  22   2.744 -13.196   2.390
  191    H    ILE  23           H        ILE  23   1.500  -8.489   1.842
  192    HA   ILE  23           HA       ILE  23   2.707  -6.216   0.803
  193    HB   ILE  23           HB       ILE  23   1.791  -6.636   3.653
  194   1HG1  ILE  23          1HG1      ILE  23   0.295  -5.556   1.251
  195   2HG1  ILE  23          2HG1      ILE  23   0.045  -7.139   1.980
  196   1HG2  ILE  23          1HG2      ILE  23   3.120  -4.456   2.472
  197   2HG2  ILE  23          2HG2      ILE  23   1.435  -3.975   2.664
  198   3HG2  ILE  23          3HG2      ILE  23   2.358  -4.529   4.060
  199   1HD1  ILE  23          1HD1      ILE  23  -0.266  -4.670   3.628
  200   2HD1  ILE  23          2HD1      ILE  23  -1.562  -5.201   2.554
  201   3HD1  ILE  23          3HD1      ILE  23  -0.993  -6.263   3.843
  202    H    GLU  24           H        GLU  24   3.830  -8.425   3.294
  203    HA   GLU  24           HA       GLU  24   5.957  -6.869   4.274
  204   1HB   GLU  24          1HB       GLU  24   6.833  -8.971   5.178
  205   2HB   GLU  24          2HB       GLU  24   5.108  -8.819   5.467
  206   1HG   GLU  24          1HG       GLU  24   4.668 -10.309   3.574
  207   2HG   GLU  24          2HG       GLU  24   6.401 -10.478   3.318
  208    H    ASN  25           H        ASN  25   5.740  -9.101   1.548
  209    HA   ASN  25           HA       ASN  25   8.546  -9.099   1.015
  210   1HB   ASN  25          1HB       ASN  25   6.192  -9.953  -0.667
  211   2HB   ASN  25          2HB       ASN  25   7.869 -10.168  -1.147
  212   1HD2  ASN  25          2HD2      ASN  25   7.851 -10.473   2.111
  213   2HD2  ASN  25          1HD2      ASN  25   7.665 -12.183   2.244
  214    H    VAL  26           H        VAL  26   5.761  -7.496  -0.545
  215    HA   VAL  26           HA       VAL  26   7.137  -6.202  -2.570
  216    HB   VAL  26           HB       VAL  26   5.335  -4.514  -2.554
  217   1HG1  VAL  26          1HG1      VAL  26   5.158  -7.219  -3.119
  218   2HG1  VAL  26          2HG1      VAL  26   3.682  -6.858  -2.223
  219   3HG1  VAL  26          3HG1      VAL  26   4.072  -5.949  -3.684
  220   1HG2  VAL  26          1HG2      VAL  26   5.003  -4.321  -0.154
  221   2HG2  VAL  26          2HG2      VAL  26   3.489  -4.712  -0.969
  222   3HG2  VAL  26          3HG2      VAL  26   4.373  -5.967  -0.102
  223    H    LYS  27           H        LYS  27   6.613  -5.179   0.777
  224    HA   LYS  27           HA       LYS  27   7.905  -2.659   0.485
  225   1HB   LYS  27          1HB       LYS  27   7.382  -4.294   2.975
  226   2HB   LYS  27          2HB       LYS  27   7.878  -2.607   2.950
  227   1HG   LYS  27          1HG       LYS  27   5.805  -2.014   1.800
  228   2HG   LYS  27          2HG       LYS  27   5.308  -3.707   1.831
  229   1HD   LYS  27          1HD       LYS  27   5.838  -1.986   4.251
  230   2HD   LYS  27          2HD       LYS  27   4.248  -2.414   3.625
  231   1HE   LYS  27          1HE       LYS  27   4.735  -4.782   4.022
  232   2HE   LYS  27          2HE       LYS  27   6.319  -4.346   4.659
  233   1HZ   LYS  27          1HZ       LYS  27   4.007  -3.058   5.879
  234   2HZ   LYS  27          2HZ       LYS  27   4.220  -4.705   6.204
  235   3HZ   LYS  27          3HZ       LYS  27   5.443  -3.603   6.588
  236    H    ALA  28           H        ALA  28   8.936  -5.871   1.499
  237    HA   ALA  28           HA       ALA  28  11.469  -5.269   2.482
  238   1HB   ALA  28          1HB       ALA  28  11.378  -7.757   0.967
  239   2HB   ALA  28          2HB       ALA  28  11.676  -7.484   2.684
  240   3HB   ALA  28          3HB       ALA  28  10.021  -7.564   2.077
  241    H    LYS  29           H        LYS  29  10.343  -5.649  -0.825
  242    HA   LYS  29           HA       LYS  29  12.897  -5.725  -2.046
  243   1HB   LYS  29          1HB       LYS  29  10.848  -6.483  -3.188
  244   2HB   LYS  29          2HB       LYS  29  10.238  -4.835  -3.189
  245   1HG   LYS  29          1HG       LYS  29  12.020  -4.130  -4.651
  246   2HG   LYS  29          2HG       LYS  29  12.748  -5.738  -4.585
  247   1HD   LYS  29          1HD       LYS  29  10.751  -6.683  -5.638
  248   2HD   LYS  29          2HD       LYS  29  10.023  -5.079  -5.700
  249   1HE   LYS  29          1HE       LYS  29  11.843  -4.310  -7.143
  250   2HE   LYS  29          2HE       LYS  29  12.567  -5.915  -7.084
  251   1HZ   LYS  29          1HZ       LYS  29   9.797  -5.839  -7.926
  252   2HZ   LYS  29          2HZ       LYS  29  10.888  -5.108  -8.992
  253   3HZ   LYS  29          3HZ       LYS  29  11.095  -6.728  -8.547
  254    H    ILE  30           H        ILE  30  10.676  -3.140  -1.161
  255    HA   ILE  30           HA       ILE  30  11.966  -1.002  -2.430
  256    HB   ILE  30           HB       ILE  30  10.535  -0.928   0.231
  257   1HG1  ILE  30          1HG1      ILE  30   9.425  -0.531  -2.556
  258   2HG1  ILE  30          2HG1      ILE  30   9.169  -1.957  -1.561
  259   1HG2  ILE  30          1HG2      ILE  30  11.275   1.199  -1.765
  260   2HG2  ILE  30          2HG2      ILE  30  10.038   1.438  -0.529
  261   3HG2  ILE  30          3HG2      ILE  30  11.704   1.103  -0.057
  262   1HD1  ILE  30          1HD1      ILE  30   8.369   0.758  -0.599
  263   2HD1  ILE  30          2HD1      ILE  30   7.324  -0.193  -1.654
  264   3HD1  ILE  30          3HD1      ILE  30   7.792  -0.823  -0.075
  265    H    GLN  31           H        GLN  31  12.551  -2.672   0.583
  266    HA   GLN  31           HA       GLN  31  14.455  -0.963   1.735
  267   1HB   GLN  31          1HB       GLN  31  13.464  -2.715   3.042
  268   2HB   GLN  31          2HB       GLN  31  13.992  -3.941   1.899
  269   1HG   GLN  31          1HG       GLN  31  16.323  -3.469   2.517
  270   2HG   GLN  31          2HG       GLN  31  15.745  -2.321   3.724
  271   1HE2  GLN  31          2HE2      GLN  31  15.497  -3.079   5.695
  272   2HE2  GLN  31          1HE2      GLN  31  15.274  -4.736   6.128
  273    H    ASP  32           H        ASP  32  14.769  -3.837  -0.298
  274    HA   ASP  32           HA       ASP  32  17.552  -3.789  -0.590
  275   1HB   ASP  32          1HB       ASP  32  16.175  -5.732  -1.184
  276   2HB   ASP  32          2HB       ASP  32  15.431  -4.817  -2.487
  277    H    LYS  33           H        LYS  33  14.949  -2.125  -2.162
  278    HA   LYS  33           HA       LYS  33  16.398  -1.051  -4.348
  279   1HB   LYS  33          1HB       LYS  33  13.786  -0.335  -3.031
  280   2HB   LYS  33          2HB       LYS  33  14.420   0.575  -4.398
  281   1HG   LYS  33          1HG       LYS  33  13.803  -2.373  -4.394
  282   2HG   LYS  33          2HG       LYS  33  12.776  -1.111  -5.070
  283   1HD   LYS  33          1HD       LYS  33  15.585  -1.742  -5.967
  284   2HD   LYS  33          2HD       LYS  33  14.111  -2.246  -6.796
  285   1HE   LYS  33          1HE       LYS  33  13.500   0.099  -7.134
  286   2HE   LYS  33          2HE       LYS  33  14.972   0.603  -6.306
  287   1HZ   LYS  33          1HZ       LYS  33  16.139  -0.800  -8.093
  288   2HZ   LYS  33          2HZ       LYS  33  14.684  -0.673  -8.946
  289   3HZ   LYS  33          3HZ       LYS  33  15.543   0.722  -8.526
  290    H    GLU  34           H        GLU  34  15.761   0.045  -1.064
  291    HA   GLU  34           HA       GLU  34  17.712   2.199  -1.482
  292   1HB   GLU  34          1HB       GLU  34  15.081   2.491  -0.021
  293   2HB   GLU  34          2HB       GLU  34  16.346   3.708  -0.077
  294   1HG   GLU  34          1HG       GLU  34  14.850   2.654  -2.466
  295   2HG   GLU  34          2HG       GLU  34  14.506   4.168  -1.632
  296    H    GLY  35           H        GLY  35  15.710   0.918   1.203
  297   1HA   GLY  35          1HA       GLY  35  17.950   1.134   3.013
  298   2HA   GLY  35          2HA       GLY  35  17.551  -0.518   2.577
  299    H    ILE  36           H        ILE  36  15.299   2.164   3.087
  300    HA   ILE  36           HA       ILE  36  14.591   1.862   5.680
  301    HB   ILE  36           HB       ILE  36  12.119   2.213   4.635
  302   1HG1  ILE  36          1HG1      ILE  36  12.363   3.633   2.621
  303   2HG1  ILE  36          2HG1      ILE  36  14.080   3.262   2.573
  304   1HG2  ILE  36          1HG2      ILE  36  14.308   3.898   5.547
  305   2HG2  ILE  36          2HG2      ILE  36  13.175   4.738   4.487
  306   3HG2  ILE  36          3HG2      ILE  36  12.591   3.941   5.948
  307   1HD1  ILE  36          1HD1      ILE  36  12.179   0.992   2.527
  308   2HD1  ILE  36          2HD1      ILE  36  12.329   1.987   1.078
  309   3HD1  ILE  36          3HD1      ILE  36  13.748   1.177   1.743
  310    HA   PRO  37           HA       PRO  37  13.335  -2.381   6.294
  311   1HB   PRO  37          1HB       PRO  37  11.807  -0.893   8.394
  312   2HB   PRO  37          2HB       PRO  37  12.715  -2.404   8.539
  313   1HG   PRO  37          1HG       PRO  37  13.773  -0.148   9.421
  314   2HG   PRO  37          2HG       PRO  37  14.777  -1.298   8.516
  315   1HD   PRO  37          1HD       PRO  37  13.606   1.296   7.636
  316   2HD   PRO  37          2HD       PRO  37  15.142   0.538   7.177
  317    HA   PRO  38           HA       PRO  38   9.426  -2.541   4.188
  318   1HB   PRO  38          1HB       PRO  38   8.485  -4.899   5.272
  319   2HB   PRO  38          2HB       PRO  38   9.610  -4.796   3.917
  320   1HG   PRO  38          1HG       PRO  38  10.169  -5.279   6.813
  321   2HG   PRO  38          2HG       PRO  38  10.903  -6.037   5.389
  322   1HD   PRO  38          1HD       PRO  38  12.172  -4.114   6.759
  323   2HD   PRO  38          2HD       PRO  38  12.301  -4.228   4.992
  324    H    ASP  39           H        ASP  39   9.507  -3.153   7.677
  325    HA   ASP  39           HA       ASP  39   6.765  -2.800   8.164
  326   1HB   ASP  39          1HB       ASP  39   7.450  -2.421  10.526
  327   2HB   ASP  39          2HB       ASP  39   8.168  -3.863   9.815
  328    H    GLN  40           H        GLN  40   9.429  -0.497   7.988
  329    HA   GLN  40           HA       GLN  40   8.093   1.710   9.071
  330   1HB   GLN  40          1HB       GLN  40  10.336   1.552   7.066
  331   2HB   GLN  40          2HB       GLN  40   9.765   3.062   7.756
  332   1HG   GLN  40          1HG       GLN  40  10.352   2.287   9.984
  333   2HG   GLN  40          2HG       GLN  40  10.885   0.745   9.317
  334   1HE2  GLN  40          2HE2      GLN  40  11.702   2.906   7.045
  335   2HE2  GLN  40          1HE2      GLN  40  13.311   3.288   7.538
  336    H    GLN  41           H        GLN  41   8.130   0.394   5.809
  337    HA   GLN  41           HA       GLN  41   7.038   2.474   4.363
  338   1HB   GLN  41          1HB       GLN  41   6.417  -0.473   4.092
  339   2HB   GLN  41          2HB       GLN  41   6.093   0.746   2.871
  340   1HG   GLN  41          1HG       GLN  41   8.815  -0.011   3.906
  341   2HG   GLN  41          2HG       GLN  41   8.108  -0.541   2.379
  342   1HE2  GLN  41          2HE2      GLN  41  10.347   1.410   3.505
  343   2HE2  GLN  41          1HE2      GLN  41  10.251   2.720   2.385
  344    H    ARG  42           H        ARG  42   5.207   3.593   4.551
  345    HA   ARG  42           HA       ARG  42   3.120   2.653   6.289
  346   1HB   ARG  42          1HB       ARG  42   3.438   5.230   4.763
  347   2HB   ARG  42          2HB       ARG  42   2.086   4.880   5.830
  348   1HG   ARG  42          1HG       ARG  42   3.643   4.653   7.710
  349   2HG   ARG  42          2HG       ARG  42   4.981   5.053   6.633
  350   1HD   ARG  42          1HD       ARG  42   2.620   6.829   7.238
  351   2HD   ARG  42          2HD       ARG  42   4.236   6.999   7.926
  352    HE   ARG  42           HE       ARG  42   4.457   7.029   5.139
  353   1HH1  ARG  42          1HH1      ARG  42   3.151   8.977   7.715
  354   2HH1  ARG  42          2HH1      ARG  42   3.356  10.471   6.862
  355   1HH2  ARG  42          1HH2      ARG  42   4.730   8.991   4.009
  356   2HH2  ARG  42          2HH2      ARG  42   4.253  10.479   4.756
  357    H    LEU  43           H        LEU  43   1.396   1.535   5.636
  358    HA   LEU  43           HA       LEU  43   0.888   1.049   2.879
  359   1HB   LEU  43          1HB       LEU  43  -0.607   0.392   5.403
  360   2HB   LEU  43          2HB       LEU  43  -1.281   0.030   3.826
  361    HG   LEU  43           HG       LEU  43   0.652  -1.403   3.329
  362   1HD1  LEU  43          1HD1      LEU  43   2.263  -0.187   4.783
  363   2HD1  LEU  43          2HD1      LEU  43   1.489  -0.932   6.182
  364   3HD1  LEU  43          3HD1      LEU  43   2.298  -1.940   4.983
  365   1HD2  LEU  43          1HD2      LEU  43  -1.401  -2.300   4.396
  366   2HD2  LEU  43          2HD2      LEU  43   0.054  -3.231   4.748
  367   3HD2  LEU  43          3HD2      LEU  43  -0.607  -2.135   5.961
  368    H    ILE  44           H        ILE  44  -0.186   2.264   1.491
  369    HA   ILE  44           HA       ILE  44  -2.394   3.936   2.421
  370    HB   ILE  44           HB       ILE  44  -0.128   5.029   0.752
  371   1HG1  ILE  44          1HG1      ILE  44  -0.975   5.678   3.588
  372   2HG1  ILE  44          2HG1      ILE  44   0.462   4.770   3.133
  373   1HG2  ILE  44          1HG2      ILE  44  -2.721   6.235   1.692
  374   2HG2  ILE  44          2HG2      ILE  44  -1.367   7.192   1.090
  375   3HG2  ILE  44          3HG2      ILE  44  -2.162   6.026   0.033
  376   1HD1  ILE  44          1HD1      ILE  44   0.378   7.315   1.795
  377   2HD1  ILE  44          2HD1      ILE  44   0.267   7.497   3.546
  378   3HD1  ILE  44          3HD1      ILE  44   1.624   6.622   2.835
  379    H    PHE  45           H        PHE  45  -4.065   3.951   1.040
  380    HA   PHE  45           HA       PHE  45  -3.616   3.169  -1.749
  381   1HB   PHE  45          1HB       PHE  45  -5.684   1.951   0.093
  382   2HB   PHE  45          2HB       PHE  45  -5.631   1.704  -1.650
  383    HD1  PHE  45           HD1      PHE  45  -3.607   1.253   1.437
  384    HD2  PHE  45           HD2      PHE  45  -4.392  -0.038  -2.541
  385    HE1  PHE  45           HE1      PHE  45  -2.076  -0.645   1.756
  386    HE2  PHE  45           HE2      PHE  45  -2.863  -1.940  -2.228
  387    HZ   PHE  45           HZ       PHE  45  -1.704  -2.246  -0.078
  388    H    ALA  46           H        ALA  46  -5.151   3.962  -3.244
  389    HA   ALA  46           HA       ALA  46  -7.331   5.611  -2.258
  390   1HB   ALA  46          1HB       ALA  46  -5.610   7.237  -2.120
  391   2HB   ALA  46          2HB       ALA  46  -4.969   6.792  -3.702
  392   3HB   ALA  46          3HB       ALA  46  -6.532   7.598  -3.579
  393    H    GLY  47           H        GLY  47  -9.013   5.566  -3.601
  394   1HA   GLY  47          1HA       GLY  47 -10.306   5.054  -5.424
  395   2HA   GLY  47          2HA       GLY  47  -9.045   3.921  -5.877
  396    H    LYS  48           H        LYS  48  -9.050   4.307  -8.048
  397    HA   LYS  48           HA       LYS  48  -7.557   6.524  -9.005
  398   1HB   LYS  48          1HB       LYS  48  -9.211   4.509 -10.533
  399   2HB   LYS  48          2HB       LYS  48  -8.043   5.614 -11.241
  400   1HG   LYS  48          1HG       LYS  48  -7.423   3.431  -9.260
  401   2HG   LYS  48          2HG       LYS  48  -7.128   3.368 -10.997
  402   1HD   LYS  48          1HD       LYS  48  -5.895   5.357  -9.093
  403   2HD   LYS  48          2HD       LYS  48  -5.094   3.917  -9.722
  404   1HE   LYS  48          1HE       LYS  48  -6.127   6.228 -11.364
  405   2HE   LYS  48          2HE       LYS  48  -4.438   5.918 -10.962
  406   1HZ   LYS  48          1HZ       LYS  48  -5.024   3.615 -12.070
  407   2HZ   LYS  48          2HZ       LYS  48  -6.171   4.560 -12.880
  408   3HZ   LYS  48          3HZ       LYS  48  -4.527   4.943 -12.990
  409    H    GLN  49           H        GLN  49  -8.883   8.199  -8.040
  410    HA   GLN  49           HA       GLN  49 -11.474   8.781  -9.029
  411   1HB   GLN  49          1HB       GLN  49 -10.321   9.683  -6.914
  412   2HB   GLN  49          2HB       GLN  49  -9.494  10.806  -7.984
  413   1HG   GLN  49          1HG       GLN  49 -11.405  11.869  -6.987
  414   2HG   GLN  49          2HG       GLN  49 -11.660  11.677  -8.721
  415   1HE2  GLN  49          2HE2      GLN  49 -13.600  11.025  -9.262
  416   2HE2  GLN  49          1HE2      GLN  49 -14.657  10.049  -8.305
  417    H    LEU  50           H        LEU  50 -11.567   8.777 -11.216
  418    HA   LEU  50           HA       LEU  50  -9.747   9.498 -13.087
  419   1HB   LEU  50          1HB       LEU  50 -12.715  10.013 -13.246
  420   2HB   LEU  50          2HB       LEU  50 -11.621  10.017 -14.614
  421    HG   LEU  50           HG       LEU  50 -12.670   7.929 -14.708
  422   1HD1  LEU  50          1HD1      LEU  50 -10.053   7.558 -13.268
  423   2HD1  LEU  50          2HD1      LEU  50 -10.925   6.280 -14.115
  424   3HD1  LEU  50          3HD1      LEU  50 -10.309   7.668 -15.011
  425   1HD2  LEU  50          1HD2      LEU  50 -13.656   8.066 -12.436
  426   2HD2  LEU  50          2HD2      LEU  50 -13.058   6.467 -12.872
  427   3HD2  LEU  50          3HD2      LEU  50 -12.120   7.491 -11.787
  428    H    GLU  51           H        GLU  51  -8.544  11.253 -12.181
  429    HA   GLU  51           HA       GLU  51  -9.132  13.730 -13.384
  430   1HB   GLU  51          1HB       GLU  51  -9.546  15.130 -11.433
  431   2HB   GLU  51          2HB       GLU  51 -10.803  13.914 -11.591
  432   1HG   GLU  51          1HG       GLU  51  -9.727  12.572  -9.858
  433   2HG   GLU  51          2HG       GLU  51  -8.466  13.794  -9.699
  434    H1   GLY  -1           H1       GLY  -1  -3.769  -4.418  17.059
  435    H2   GLY  -1           H2       GLY  -1  -5.385  -4.491  17.552
  436    H3   GLY  -1           H3       GLY  -1  -4.194  -5.304  18.437
  437   1HA   GLY  -1          1HA       GLY  -1  -5.721  -6.576  16.748
  438   2HA   GLY  -1          2HA       GLY  -1  -4.039  -7.020  16.984
  439    H    SER   0           H        SER   0  -3.349  -7.661  15.039
  440    HA   SER   0           HA       SER   0  -2.672  -7.557  12.873
  441   1HB   SER   0          1HB       SER   0  -5.100  -7.806  12.488
  442   2HB   SER   0          2HB       SER   0  -5.275  -6.053  12.503
  443    HG   SER   0           HG       SER   0  -3.370  -6.601  10.778
  444    H    MET   1           H        MET   1  -3.913  -4.950  11.397
  445    HA   MET   1           HA       MET   1  -2.368  -2.828  12.498
  446   1HB   MET   1          1HB       MET   1  -0.798  -2.607  10.562
  447   2HB   MET   1          2HB       MET   1  -0.484  -3.996  11.593
  448   1HG   MET   1          1HG       MET   1  -1.507  -5.475  10.000
  449   2HG   MET   1          2HG       MET   1  -2.008  -4.116   9.001
  450   1HE   MET   1          1HE       MET   1  -0.466  -2.352   8.389
  451   2HE   MET   1          2HE       MET   1   1.275  -2.391   8.674
  452   3HE   MET   1          3HE       MET   1   0.626  -2.891   7.112
  453    H    GLN   2           H        GLN   2  -3.633  -1.155  12.117
  454    HA   GLN   2           HA       GLN   2  -5.593  -1.075  10.078
  455   1HB   GLN   2          1HB       GLN   2  -5.940   1.255  10.824
  456   2HB   GLN   2          2HB       GLN   2  -5.910   0.120  12.165
  457   1HG   GLN   2          1HG       GLN   2  -3.578   0.746  12.617
  458   2HG   GLN   2          2HG       GLN   2  -3.657   1.920  11.305
  459   1HE2  GLN   2          2HE2      GLN   2  -3.916   3.906  11.991
  460   2HE2  GLN   2          1HE2      GLN   2  -4.822   4.404  13.375
  461    H    ILE   3           H        ILE   3  -5.510  -0.326   8.055
  462    HA   ILE   3           HA       ILE   3  -2.983   0.834   7.121
  463    HB   ILE   3           HB       ILE   3  -3.668   0.202   4.873
  464   1HG1  ILE   3          1HG1      ILE   3  -6.141  -0.961   6.166
  465   2HG1  ILE   3          2HG1      ILE   3  -6.106   0.499   5.182
  466   1HG2  ILE   3          1HG2      ILE   3  -3.968  -2.053   6.847
  467   2HG2  ILE   3          2HG2      ILE   3  -3.607  -2.232   5.130
  468   3HG2  ILE   3          3HG2      ILE   3  -2.453  -1.428   6.194
  469   1HD1  ILE   3          1HD1      ILE   3  -4.885  -1.657   3.752
  470   2HD1  ILE   3          2HD1      ILE   3  -6.481  -2.138   4.330
  471   3HD1  ILE   3          3HD1      ILE   3  -6.303  -0.693   3.334
  472    H    PHE   4           H        PHE   4  -2.906   2.752   5.991
  473    HA   PHE   4           HA       PHE   4  -5.183   4.522   6.366
  474   1HB   PHE   4          1HB       PHE   4  -2.381   5.050   5.348
  475   2HB   PHE   4          2HB       PHE   4  -3.613   6.287   5.549
  476    HD1  PHE   4           HD1      PHE   4  -3.210   7.636   7.340
  477    HD2  PHE   4           HD2      PHE   4  -2.327   3.485   7.669
  478    HE1  PHE   4           HE1      PHE   4  -2.493   7.976   9.668
  479    HE2  PHE   4           HE2      PHE   4  -1.613   3.819   9.999
  480    HZ   PHE   4           HZ       PHE   4  -1.694   6.066  11.001
  481    H    VAL   5           H        VAL   5  -6.556   5.102   4.787
  482    HA   VAL   5           HA       VAL   5  -5.759   4.881   1.991
  483    HB   VAL   5           HB       VAL   5  -8.132   3.378   3.111
  484   1HG1  VAL   5          1HG1      VAL   5  -7.813   4.547   0.568
  485   2HG1  VAL   5          2HG1      VAL   5  -7.599   2.809   0.362
  486   3HG1  VAL   5          3HG1      VAL   5  -9.073   3.434   1.103
  487   1HG2  VAL   5          1HG2      VAL   5  -5.414   2.593   2.286
  488   2HG2  VAL   5          2HG2      VAL   5  -6.517   1.839   3.438
  489   3HG2  VAL   5          3HG2      VAL   5  -6.724   1.561   1.709
  490    H    LYS   6           H        LYS   6  -6.527   6.547   0.864
  491    HA   LYS   6           HA       LYS   6  -8.409   8.360   2.104
  492   1HB   LYS   6          1HB       LYS   6  -6.994   8.506  -0.564
  493   2HB   LYS   6          2HB       LYS   6  -7.964   9.792   0.139
  494   1HG   LYS   6          1HG       LYS   6  -6.402   9.941   2.016
  495   2HG   LYS   6          2HG       LYS   6  -5.427   8.658   1.299
  496   1HD   LYS   6          1HD       LYS   6  -5.033  10.056  -0.669
  497   2HD   LYS   6          2HD       LYS   6  -6.014  11.338   0.042
  498   1HE   LYS   6          1HE       LYS   6  -4.444  11.498   1.912
  499   2HE   LYS   6          2HE       LYS   6  -3.462  10.221   1.196
  500   1HZ   LYS   6          1HZ       LYS   6  -4.002  12.410  -0.593
  501   2HZ   LYS   6          2HZ       LYS   6  -3.116  12.863   0.777
  502   3HZ   LYS   6          3HZ       LYS   6  -2.539  11.639  -0.238
  503    H    THR   7           H        THR   7 -10.532   8.415   1.728
  504    HA   THR   7           HA       THR   7 -11.743   6.504  -0.017
  505    HB   THR   7           HB       THR   7 -13.885   7.552   0.656
  506    HG1  THR   7           HG1      THR   7 -12.371   9.642   1.151
  507   1HG2  THR   7          1HG2      THR   7 -12.573   5.851   2.066
  508   2HG2  THR   7          2HG2      THR   7 -12.183   7.219   3.109
  509   3HG2  THR   7          3HG2      THR   7 -13.865   6.753   2.859
  510    H    LEU   8           H        LEU   8 -13.963   8.083  -0.909
  511    HA   LEU   8           HA       LEU   8 -12.895   8.997  -3.397
  512   1HB   LEU   8          1HB       LEU   8 -15.685   9.135  -2.255
  513   2HB   LEU   8          2HB       LEU   8 -15.264   9.550  -3.906
  514    HG   LEU   8           HG       LEU   8 -14.751   6.818  -2.743
  515   1HD1  LEU   8          1HD1      LEU   8 -14.256   8.125  -5.277
  516   2HD1  LEU   8          2HD1      LEU   8 -13.644   6.592  -4.656
  517   3HD1  LEU   8          3HD1      LEU   8 -15.212   6.654  -5.459
  518   1HD2  LEU   8          1HD2      LEU   8 -17.252   8.018  -3.695
  519   2HD2  LEU   8          2HD2      LEU   8 -16.845   6.453  -4.398
  520   3HD2  LEU   8          3HD2      LEU   8 -16.980   6.624  -2.649
  521    H    THR   9           H        THR   9 -14.573  10.603  -0.698
  522    HA   THR   9           HA       THR   9 -14.255  13.214  -1.816
  523    HB   THR   9           HB       THR   9 -15.064  14.037   0.361
  524    HG1  THR   9           HG1      THR   9 -15.382  11.372   1.227
  525   1HG2  THR   9          1HG2      THR   9 -16.580  13.053  -1.459
  526   2HG2  THR   9          2HG2      THR   9 -16.729  11.652  -0.398
  527   3HG2  THR   9          3HG2      THR   9 -17.263  13.238   0.156
  528    H    GLY  10           H        GLY  10 -12.633  11.422   0.797
  529   1HA   GLY  10          1HA       GLY  10 -10.777  13.603   1.249
  530   2HA   GLY  10          2HA       GLY  10 -10.084  12.209   0.439
  531    H    LYS  11           H        LYS  11 -12.608  11.967   2.849
  532    HA   LYS  11           HA       LYS  11 -11.239  11.751   5.199
  533   1HB   LYS  11          1HB       LYS  11 -13.675  11.613   5.047
  534   2HB   LYS  11          2HB       LYS  11 -13.553  10.029   4.299
  535   1HG   LYS  11          1HG       LYS  11 -12.440   9.215   6.380
  536   2HG   LYS  11          2HG       LYS  11 -12.806  10.779   7.114
  537   1HD   LYS  11          1HD       LYS  11 -15.204  10.388   6.676
  538   2HD   LYS  11          2HD       LYS  11 -14.802   8.794   6.030
  539   1HE   LYS  11          1HE       LYS  11 -15.558   8.638   8.343
  540   2HE   LYS  11          2HE       LYS  11 -13.873   8.143   8.188
  541   1HZ   LYS  11          1HZ       LYS  11 -14.444  10.936   8.862
  542   2HZ   LYS  11          2HZ       LYS  11 -14.635   9.770  10.071
  543   3HZ   LYS  11          3HZ       LYS  11 -13.135   9.965   9.313
  544    H    THR  12           H        THR  12  -9.812  10.423   6.090
  545    HA   THR  12           HA       THR  12  -8.794   8.181   4.573
  546    HB   THR  12           HB       THR  12  -7.966   9.153   7.310
  547    HG1  THR  12           HG1      THR  12  -6.147   9.803   5.555
  548   1HG2  THR  12          1HG2      THR  12  -7.336   6.794   6.569
  549   2HG2  THR  12          2HG2      THR  12  -6.325   7.568   5.351
  550   3HG2  THR  12          3HG2      THR  12  -6.015   7.852   7.064
  551    H    ILE  13           H        ILE  13  -8.874   6.019   5.185
  552    HA   ILE  13           HA       ILE  13 -10.738   5.408   7.383
  553    HB   ILE  13           HB       ILE  13 -11.296   3.320   6.137
  554   1HG1  ILE  13          1HG1      ILE  13  -9.888   4.712   3.849
  555   2HG1  ILE  13          2HG1      ILE  13  -9.268   3.302   4.705
  556   1HG2  ILE  13          1HG2      ILE  13 -12.038   6.055   5.429
  557   2HG2  ILE  13          2HG2      ILE  13 -12.409   4.855   4.186
  558   3HG2  ILE  13          3HG2      ILE  13 -13.049   4.661   5.819
  559   1HD1  ILE  13          1HD1      ILE  13 -11.975   3.014   3.611
  560   2HD1  ILE  13          2HD1      ILE  13 -10.683   3.192   2.423
  561   3HD1  ILE  13          3HD1      ILE  13 -10.617   1.890   3.610
  562    H    THR  14           H        THR  14 -10.049   4.135   8.946
  563    HA   THR  14           HA       THR  14  -7.457   2.799   8.623
  564    HB   THR  14           HB       THR  14  -7.859   2.477  11.219
  565    HG1  THR  14           HG1      THR  14  -8.932   4.942  11.365
  566   1HG2  THR  14          1HG2      THR  14  -6.336   4.171   9.653
  567   2HG2  THR  14          2HG2      THR  14  -7.132   5.258  10.795
  568   3HG2  THR  14          3HG2      THR  14  -6.160   3.913  11.389
  569    H    LEU  15           H        LEU  15  -7.350   0.648   8.495
  570    HA   LEU  15           HA       LEU  15  -9.398  -1.000   9.699
  571   1HB   LEU  15          1HB       LEU  15 -10.186  -2.037   7.730
  572   2HB   LEU  15          2HB       LEU  15 -10.245  -0.313   7.417
  573    HG   LEU  15           HG       LEU  15  -7.847  -0.827   6.358
  574   1HD1  LEU  15          1HD1      LEU  15  -8.561  -3.358   6.996
  575   2HD1  LEU  15          2HD1      LEU  15  -9.160  -3.239   5.342
  576   3HD1  LEU  15          3HD1      LEU  15  -7.459  -2.925   5.686
  577   1HD2  LEU  15          1HD2      LEU  15 -10.596  -0.855   5.271
  578   2HD2  LEU  15          2HD2      LEU  15  -9.245   0.224   4.923
  579   3HD2  LEU  15          3HD2      LEU  15  -9.294  -1.386   4.208
  580    H    GLU  16           H        GLU  16  -8.378  -2.583  10.666
  581    HA   GLU  16           HA       GLU  16  -5.642  -3.160  10.175
  582   1HB   GLU  16          1HB       GLU  16  -5.953  -4.888  11.932
  583   2HB   GLU  16          2HB       GLU  16  -6.500  -3.288  12.415
  584   1HG   GLU  16          1HG       GLU  16  -8.809  -3.935  11.953
  585   2HG   GLU  16          2HG       GLU  16  -8.260  -5.541  11.474
  586    H    VAL  17           H        VAL  17  -4.675  -4.828   9.191
  587    HA   VAL  17           HA       VAL  17  -6.093  -7.175   8.321
  588    HB   VAL  17           HB       VAL  17  -5.255  -6.835   5.906
  589   1HG1  VAL  17          1HG1      VAL  17  -7.668  -6.723   6.922
  590   2HG1  VAL  17          2HG1      VAL  17  -7.534  -5.020   6.488
  591   3HG1  VAL  17          3HG1      VAL  17  -7.365  -6.261   5.249
  592   1HG2  VAL  17          1HG2      VAL  17  -5.343  -3.979   6.852
  593   2HG2  VAL  17          2HG2      VAL  17  -3.942  -4.852   6.232
  594   3HG2  VAL  17          3HG2      VAL  17  -5.291  -4.476   5.161
  595    H    GLU  18           H        GLU  18  -4.743  -8.875   8.069
  596    HA   GLU  18           HA       GLU  18  -2.197  -8.829   9.147
  597   1HB   GLU  18          1HB       GLU  18  -3.301 -10.793   7.132
  598   2HB   GLU  18          2HB       GLU  18  -1.919 -11.070   8.183
  599   1HG   GLU  18          1HG       GLU  18  -3.355 -10.906  10.139
  600   2HG   GLU  18          2HG       GLU  18  -4.745 -10.586   9.101
  601    HA   PRO  19           HA       PRO  19   0.387  -7.051   6.016
  602   1HB   PRO  19          1HB       PRO  19   2.738  -8.265   6.701
  603   2HB   PRO  19          2HB       PRO  19   2.055  -6.901   7.581
  604   1HG   PRO  19          1HG       PRO  19   1.886  -9.821   8.196
  605   2HG   PRO  19          2HG       PRO  19   2.248  -8.468   9.280
  606   1HD   PRO  19          1HD       PRO  19  -0.191  -9.551   9.198
  607   2HD   PRO  19          2HD       PRO  19   0.018  -7.802   9.389
  608    H    SER  20           H        SER  20   0.693 -10.526   6.652
  609    HA   SER  20           HA       SER  20   1.851 -11.219   4.177
  610   1HB   SER  20          1HB       SER  20   0.184 -12.894   6.071
  611   2HB   SER  20          2HB       SER  20   1.156 -13.530   4.746
  612    HG   SER  20           HG       SER  20   1.989 -13.225   7.128
  613    H    ASP  21           H        ASP  21  -1.355 -10.421   5.103
  614    HA   ASP  21           HA       ASP  21  -2.893 -11.805   3.246
  615   1HB   ASP  21          1HB       ASP  21  -3.844 -10.450   5.074
  616   2HB   ASP  21          2HB       ASP  21  -3.311  -8.982   4.259
  617    H    THR  22           H        THR  22  -3.215 -11.654   1.108
  618    HA   THR  22           HA       THR  22  -1.419 -10.331  -0.555
  619    HB   THR  22           HB       THR  22  -2.959 -10.871  -2.412
  620    HG1  THR  22           HG1      THR  22  -4.723 -11.149  -0.288
  621   1HG2  THR  22          1HG2      THR  22  -1.405 -12.552  -1.283
  622   2HG2  THR  22          2HG2      THR  22  -2.853 -13.202  -0.517
  623   3HG2  THR  22          3HG2      THR  22  -2.709 -13.206  -2.274
  624    H    ILE  23           H        ILE  23  -1.473  -8.489  -1.757
  625    HA   ILE  23           HA       ILE  23  -2.689  -6.214  -0.730
  626    HB   ILE  23           HB       ILE  23  -1.762  -6.643  -3.575
  627   1HG1  ILE  23          1HG1      ILE  23  -0.272  -5.555  -1.173
  628   2HG1  ILE  23          2HG1      ILE  23  -0.023  -7.143  -1.892
  629   1HG2  ILE  23          1HG2      ILE  23  -3.095  -4.461  -2.405
  630   2HG2  ILE  23          2HG2      ILE  23  -1.409  -3.979  -2.591
  631   3HG2  ILE  23          3HG2      ILE  23  -2.325  -4.537  -3.990
  632   1HD1  ILE  23          1HD1      ILE  23   0.298  -4.681  -3.550
  633   2HD1  ILE  23          2HD1      ILE  23   1.590  -5.213  -2.472
  634   3HD1  ILE  23          3HD1      ILE  23   1.021  -6.278  -3.757
  635    H    GLU  24           H        GLU  24  -3.793  -8.431  -3.224
  636    HA   GLU  24           HA       GLU  24  -5.924  -6.884  -4.211
  637   1HB   GLU  24          1HB       GLU  24  -6.810  -9.030  -5.071
  638   2HB   GLU  24          2HB       GLU  24  -5.109  -8.795  -5.444
  639   1HG   GLU  24          1HG       GLU  24  -4.491 -10.281  -3.619
  640   2HG   GLU  24          2HG       GLU  24  -6.190 -10.498  -3.209
  641    H    ASN  25           H        ASN  25  -5.710  -9.112  -1.482
  642    HA   ASN  25           HA       ASN  25  -8.518  -9.138  -0.967
  643   1HB   ASN  25          1HB       ASN  25  -6.163  -9.943   0.740
  644   2HB   ASN  25          2HB       ASN  25  -7.842 -10.173   1.213
  645   1HD2  ASN  25          2HD2      ASN  25  -7.804 -10.511  -2.041
  646   2HD2  ASN  25          1HD2      ASN  25  -7.598 -12.220  -2.155
  647    H    VAL  26           H        VAL  26  -5.775  -7.489   0.626
  648    HA   VAL  26           HA       VAL  26  -7.203  -6.195   2.614
  649    HB   VAL  26           HB       VAL  26  -5.425  -4.458   2.580
  650   1HG1  VAL  26          1HG1      VAL  26  -5.256  -7.129   3.278
  651   2HG1  VAL  26          2HG1      VAL  26  -3.757  -6.814   2.404
  652   3HG1  VAL  26          3HG1      VAL  26  -4.184  -5.833   3.808
  653   1HG2  VAL  26          1HG2      VAL  26  -4.406  -6.011   0.211
  654   2HG2  VAL  26          2HG2      VAL  26  -5.003  -4.352   0.198
  655   3HG2  VAL  26          3HG2      VAL  26  -3.518  -4.747   1.063
  656    H    LYS  27           H        LYS  27  -6.638  -5.194  -0.732
  657    HA   LYS  27           HA       LYS  27  -7.974  -2.691  -0.481
  658   1HB   LYS  27          1HB       LYS  27  -7.373  -4.335  -2.947
  659   2HB   LYS  27          2HB       LYS  27  -7.907  -2.660  -2.947
  660   1HG   LYS  27          1HG       LYS  27  -5.871  -2.006  -1.769
  661   2HG   LYS  27          2HG       LYS  27  -5.335  -3.688  -1.765
  662   1HD   LYS  27          1HD       LYS  27  -5.851  -2.009  -4.218
  663   2HD   LYS  27          2HD       LYS  27  -4.266  -2.401  -3.555
  664   1HE   LYS  27          1HE       LYS  27  -4.699  -4.781  -3.934
  665   2HE   LYS  27          2HE       LYS  27  -6.280  -4.385  -4.602
  666   1HZ   LYS  27          1HZ       LYS  27  -3.959  -3.080  -5.796
  667   2HZ   LYS  27          2HZ       LYS  27  -4.168  -4.728  -6.119
  668   3HZ   LYS  27          3HZ       LYS  27  -5.385  -3.625  -6.523
  669    H    ALA  28           H        ALA  28  -8.932  -5.929  -1.478
  670    HA   ALA  28           HA       ALA  28 -11.468  -5.366  -2.499
  671   1HB   ALA  28          1HB       ALA  28 -11.624  -7.581  -2.730
  672   2HB   ALA  28          2HB       ALA  28 -11.342  -7.870  -1.013
  673   3HB   ALA  28          3HB       ALA  28  -9.976  -7.636  -2.104
  674    H    LYS  29           H        LYS  29 -10.330  -5.538   0.785
  675    HA   LYS  29           HA       LYS  29 -12.923  -5.735   1.984
  676   1HB   LYS  29          1HB       LYS  29 -10.937  -6.519   3.179
  677   2HB   LYS  29          2HB       LYS  29 -10.249  -4.902   3.139
  678   1HG   LYS  29          1HG       LYS  29 -12.006  -4.079   4.581
  679   2HG   LYS  29          2HG       LYS  29 -12.790  -5.662   4.566
  680   1HD   LYS  29          1HD       LYS  29 -10.808  -6.641   5.631
  681   2HD   LYS  29          2HD       LYS  29 -10.044  -5.052   5.658
  682   1HE   LYS  29          1HE       LYS  29 -11.837  -4.212   7.090
  683   2HE   LYS  29          2HE       LYS  29 -12.610  -5.796   7.057
  684   1HZ   LYS  29          1HZ       LYS  29  -9.834  -5.760   7.908
  685   2HZ   LYS  29          2HZ       LYS  29 -10.931  -5.023   8.963
  686   3HZ   LYS  29          3HZ       LYS  29 -11.143  -6.641   8.517
  687    H    ILE  30           H        ILE  30 -10.765  -3.181   0.985
  688    HA   ILE  30           HA       ILE  30 -11.962  -1.047   2.350
  689    HB   ILE  30           HB       ILE  30 -10.592  -0.913  -0.336
  690   1HG1  ILE  30          1HG1      ILE  30  -9.426  -0.676   2.451
  691   2HG1  ILE  30          2HG1      ILE  30  -9.202  -2.047   1.372
  692   1HG2  ILE  30          1HG2      ILE  30 -11.208   1.140   1.781
  693   2HG2  ILE  30          2HG2      ILE  30 -10.034   1.405   0.491
  694   3HG2  ILE  30          3HG2      ILE  30 -11.729   1.126   0.097
  695   1HD1  ILE  30          1HD1      ILE  30  -8.396   0.689   0.498
  696   2HD1  ILE  30          2HD1      ILE  30  -7.355  -0.256   1.562
  697   3HD1  ILE  30          3HD1      ILE  30  -7.791  -0.882  -0.027
  698    H    GLN  31           H        GLN  31 -12.701  -2.488  -0.828
  699    HA   GLN  31           HA       GLN  31 -14.633  -0.553  -1.562
  700   1HB   GLN  31          1HB       GLN  31 -15.343  -2.071  -3.262
  701   2HB   GLN  31          2HB       GLN  31 -13.603  -2.258  -3.122
  702   1HG   GLN  31          1HG       GLN  31 -13.924  -4.268  -1.789
  703   2HG   GLN  31          2HG       GLN  31 -15.668  -4.077  -1.917
  704   1HE2  GLN  31          2HE2      GLN  31 -14.565  -3.038  -4.782
  705   2HE2  GLN  31          1HE2      GLN  31 -14.620  -4.510  -5.679
  706    H    ASP  32           H        ASP  32 -14.768  -3.621   0.170
  707    HA   ASP  32           HA       ASP  32 -17.538  -3.746   0.554
  708   1HB   ASP  32          1HB       ASP  32 -15.992  -5.617   1.078
  709   2HB   ASP  32          2HB       ASP  32 -15.349  -4.687   2.427
  710    H    LYS  33           H        LYS  33 -14.963  -2.025   2.096
  711    HA   LYS  33           HA       LYS  33 -16.439  -1.010   4.309
  712   1HB   LYS  33          1HB       LYS  33 -13.800  -0.291   3.045
  713   2HB   LYS  33          2HB       LYS  33 -14.451   0.608   4.411
  714   1HG   LYS  33          1HG       LYS  33 -13.859  -2.344   4.392
  715   2HG   LYS  33          2HG       LYS  33 -12.818  -1.098   5.078
  716   1HD   LYS  33          1HD       LYS  33 -15.640  -1.700   5.959
  717   2HD   LYS  33          2HD       LYS  33 -14.175  -2.219   6.794
  718   1HE   LYS  33          1HE       LYS  33 -13.542   0.119   7.139
  719   2HE   LYS  33          2HE       LYS  33 -15.006   0.638   6.303
  720   1HZ   LYS  33          1HZ       LYS  33 -16.190  -0.765   8.085
  721   2HZ   LYS  33          2HZ       LYS  33 -14.740  -0.634   8.947
  722   3HZ   LYS  33          3HZ       LYS  33 -15.596   0.759   8.515
  723    H    GLU  34           H        GLU  34 -15.807   0.065   1.030
  724    HA   GLU  34           HA       GLU  34 -17.724   2.250   1.438
  725   1HB   GLU  34          1HB       GLU  34 -15.075   2.521   0.008
  726   2HB   GLU  34          2HB       GLU  34 -16.332   3.745   0.040
  727   1HG   GLU  34          1HG       GLU  34 -14.869   2.695   2.451
  728   2HG   GLU  34          2HG       GLU  34 -14.518   4.209   1.618
  729    H    GLY  35           H        GLY  35 -15.711   0.949  -1.234
  730   1HA   GLY  35          1HA       GLY  35 -17.929   1.211  -3.063
  731   2HA   GLY  35          2HA       GLY  35 -17.566  -0.450  -2.636
  732    H    ILE  36           H        ILE  36 -15.174   2.100  -3.003
  733    HA   ILE  36           HA       ILE  36 -14.470   1.865  -5.630
  734    HB   ILE  36           HB       ILE  36 -11.999   2.050  -4.379
  735   1HG1  ILE  36          1HG1      ILE  36 -12.419   3.759  -2.602
  736   2HG1  ILE  36          2HG1      ILE  36 -14.134   3.378  -2.697
  737   1HG2  ILE  36          1HG2      ILE  36 -13.960   3.896  -5.592
  738   2HG2  ILE  36          2HG2      ILE  36 -12.617   4.608  -4.696
  739   3HG2  ILE  36          3HG2      ILE  36 -12.297   3.525  -6.054
  740   1HD1  ILE  36          1HD1      ILE  36 -12.309   1.106  -2.245
  741   2HD1  ILE  36          2HD1      ILE  36 -12.485   2.264  -0.926
  742   3HD1  ILE  36          3HD1      ILE  36 -13.904   1.439  -1.570
  743    HA   PRO  37           HA       PRO  37 -13.269  -2.382  -6.260
  744   1HB   PRO  37          1HB       PRO  37 -11.756  -0.996  -8.434
  745   2HB   PRO  37          2HB       PRO  37 -12.766  -2.444  -8.520
  746   1HG   PRO  37          1HG       PRO  37 -13.695  -0.131  -9.408
  747   2HG   PRO  37          2HG       PRO  37 -14.747  -1.208  -8.468
  748   1HD   PRO  37          1HD       PRO  37 -13.360   1.298  -7.624
  749   2HD   PRO  37          2HD       PRO  37 -14.961   0.689  -7.168
  750    HA   PRO  38           HA       PRO  38  -9.348  -2.578  -4.200
  751   1HB   PRO  38          1HB       PRO  38  -8.432  -4.937  -5.323
  752   2HB   PRO  38          2HB       PRO  38  -9.516  -4.830  -3.934
  753   1HG   PRO  38          1HG       PRO  38 -10.161  -5.313  -6.810
  754   2HG   PRO  38          2HG       PRO  38 -10.865  -6.055  -5.363
  755   1HD   PRO  38          1HD       PRO  38 -12.153  -4.130  -6.709
  756   2HD   PRO  38          2HD       PRO  38 -12.228  -4.224  -4.937
  757    H    ASP  39           H        ASP  39  -9.411  -3.218  -7.692
  758    HA   ASP  39           HA       ASP  39  -6.664  -2.837  -8.149
  759   1HB   ASP  39          1HB       ASP  39  -7.294  -2.551 -10.519
  760   2HB   ASP  39          2HB       ASP  39  -8.081  -3.945  -9.787
  761    H    GLN  40           H        GLN  40  -9.368  -0.564  -8.067
  762    HA   GLN  40           HA       GLN  40  -8.035   1.631  -9.173
  763   1HB   GLN  40          1HB       GLN  40 -10.310   1.514  -7.198
  764   2HB   GLN  40          2HB       GLN  40  -9.749   3.001  -7.946
  765   1HG   GLN  40          1HG       GLN  40 -10.239   2.025 -10.162
  766   2HG   GLN  40          2HG       GLN  40 -10.899   0.605  -9.355
  767   1HE2  GLN  40          2HE2      GLN  40 -11.652   3.052  -7.357
  768   2HE2  GLN  40          1HE2      GLN  40 -13.207   3.478  -7.971
  769    H    GLN  41           H        GLN  41  -8.087   0.378  -5.892
  770    HA   GLN  41           HA       GLN  41  -7.034   2.538  -4.510
  771   1HB   GLN  41          1HB       GLN  41  -6.343  -0.357  -4.004
  772   2HB   GLN  41          2HB       GLN  41  -6.315   0.957  -2.838
  773   1HG   GLN  41          1HG       GLN  41  -8.744  -0.207  -4.176
  774   2HG   GLN  41          2HG       GLN  41  -8.265  -0.409  -2.492
  775   1HE2  GLN  41          2HE2      GLN  41  -9.462   0.740  -1.183
  776   2HE2  GLN  41          1HE2      GLN  41 -10.106   2.313  -1.492
  777    H    ARG  42           H        ARG  42  -5.165   3.588  -4.611
  778    HA   ARG  42           HA       ARG  42  -3.061   2.589  -6.294
  779   1HB   ARG  42          1HB       ARG  42  -3.344   5.187  -4.793
  780   2HB   ARG  42          2HB       ARG  42  -2.005   4.801  -5.865
  781   1HG   ARG  42          1HG       ARG  42  -3.562   4.605  -7.739
  782   2HG   ARG  42          2HG       ARG  42  -4.901   5.004  -6.661
  783   1HD   ARG  42          1HD       ARG  42  -2.535   6.778  -7.247
  784   2HD   ARG  42          2HD       ARG  42  -4.142   6.950  -7.954
  785    HE   ARG  42           HE       ARG  42  -4.390   6.975  -5.167
  786   1HH1  ARG  42          1HH1      ARG  42  -3.072   8.930  -7.732
  787   2HH1  ARG  42          2HH1      ARG  42  -3.287  10.423  -6.880
  788   1HH2  ARG  42          1HH2      ARG  42  -4.678   8.935  -4.037
  789   2HH2  ARG  42          2HH2      ARG  42  -4.200  10.425  -4.780
  790    H    LEU  43           H        LEU  43  -1.332   1.501  -5.610
  791    HA   LEU  43           HA       LEU  43  -0.888   1.019  -2.835
  792   1HB   LEU  43          1HB       LEU  43   0.644   0.332  -5.329
  793   2HB   LEU  43          2HB       LEU  43   1.291  -0.020  -3.739
  794    HG   LEU  43           HG       LEU  43  -0.653  -1.442  -3.261
  795   1HD1  LEU  43          1HD1      LEU  43  -2.225  -0.208  -4.765
  796   2HD1  LEU  43          2HD1      LEU  43  -1.453  -1.016  -6.131
  797   3HD1  LEU  43          3HD1      LEU  43  -2.295  -1.966  -4.907
  798   1HD2  LEU  43          1HD2      LEU  43   1.411  -2.350  -4.303
  799   2HD2  LEU  43          2HD2      LEU  43  -0.044  -3.283  -4.653
  800   3HD2  LEU  43          3HD2      LEU  43   0.626  -2.201  -5.875
  801    H    ILE  44           H        ILE  44   0.188   2.237  -1.439
  802    HA   ILE  44           HA       ILE  44   2.400   3.898  -2.373
  803    HB   ILE  44           HB       ILE  44   0.129   5.006  -0.724
  804   1HG1  ILE  44          1HG1      ILE  44   0.998   5.631  -3.558
  805   2HG1  ILE  44          2HG1      ILE  44  -0.448   4.733  -3.105
  806   1HG2  ILE  44          1HG2      ILE  44   2.728   6.205  -1.658
  807   2HG2  ILE  44          2HG2      ILE  44   1.373   7.165  -1.064
  808   3HG2  ILE  44          3HG2      ILE  44   2.163   6.003   0.001
  809   1HD1  ILE  44          1HD1      ILE  44  -0.406   7.260  -1.766
  810   2HD1  ILE  44          2HD1      ILE  44  -0.197   7.478  -3.504
  811   3HD1  ILE  44          3HD1      ILE  44  -1.597   6.600  -2.887
  812    H    PHE  45           H        PHE  45   4.067   3.929  -0.997
  813    HA   PHE  45           HA       PHE  45   3.629   3.179   1.803
  814   1HB   PHE  45          1HB       PHE  45   5.695   1.940  -0.029
  815   2HB   PHE  45          2HB       PHE  45   5.633   1.704   1.715
  816    HD1  PHE  45           HD1      PHE  45   3.637   1.228  -1.385
  817    HD2  PHE  45           HD2      PHE  45   4.371  -0.018   2.617
  818    HE1  PHE  45           HE1      PHE  45   2.103  -0.668  -1.699
  819    HE2  PHE  45           HE2      PHE  45   2.839  -1.919   2.309
  820    HZ   PHE  45           HZ       PHE  45   1.703  -2.246   0.149
  821    H    ALA  46           H        ALA  46   5.167   4.008   3.279
  822    HA   ALA  46           HA       ALA  46   7.330   5.652   2.238
  823   1HB   ALA  46          1HB       ALA  46   6.530   7.642   3.568
  824   2HB   ALA  46          2HB       ALA  46   4.971   6.827   3.685
  825   3HB   ALA  46          3HB       ALA  46   5.618   7.273   2.106
  826    H    GLY  47           H        GLY  47   9.024   5.752   3.582
  827   1HA   GLY  47          1HA       GLY  47  10.358   5.310   5.393
  828   2HA   GLY  47          2HA       GLY  47   9.174   4.094   5.843
  829    H    LYS  48           H        LYS  48   9.104   4.444   8.003
  830    HA   LYS  48           HA       LYS  48   7.528   6.618   8.954
  831   1HB   LYS  48          1HB       LYS  48   9.117   4.541  10.468
  832   2HB   LYS  48          2HB       LYS  48   7.962   5.648  11.193
  833   1HG   LYS  48          1HG       LYS  48   7.309   3.568   9.115
  834   2HG   LYS  48          2HG       LYS  48   7.029   3.411  10.849
  835   1HD   LYS  48          1HD       LYS  48   5.807   5.512   9.061
  836   2HD   LYS  48          2HD       LYS  48   4.990   4.060   9.641
  837   1HE   LYS  48          1HE       LYS  48   6.084   6.284  11.360
  838   2HE   LYS  48          2HE       LYS  48   4.384   6.012  10.977
  839   1HZ   LYS  48          1HZ       LYS  48   4.986   3.652  11.978
  840   2HZ   LYS  48          2HZ       LYS  48   6.125   4.576  12.823
  841   3HZ   LYS  48          3HZ       LYS  48   4.478   4.939  12.949
  842    H    GLN  49           H        GLN  49   8.933   8.361   8.114
  843    HA   GLN  49           HA       GLN  49  11.470   8.861   9.264
  844   1HB   GLN  49          1HB       GLN  49   9.432  10.665   7.957
  845   2HB   GLN  49          2HB       GLN  49  10.950  11.280   8.591
  846   1HG   GLN  49          1HG       GLN  49  10.733   9.134   6.502
  847   2HG   GLN  49          2HG       GLN  49  10.967  10.845   6.158
  848   1HE2  GLN  49          2HE2      GLN  49  12.592  10.487   8.915
  849   2HE2  GLN  49          1HE2      GLN  49  14.154  10.066   8.315
  850    H    LEU  50           H        LEU  50  11.842   9.200  11.332
  851    HA   LEU  50           HA       LEU  50   9.907   9.607  13.283
  852   1HB   LEU  50          1HB       LEU  50  12.864  10.194  13.320
  853   2HB   LEU  50          2HB       LEU  50  11.845  10.311  14.739
  854    HG   LEU  50           HG       LEU  50  13.073   8.206  14.722
  855   1HD1  LEU  50          1HD1      LEU  50  11.719   7.779  12.074
  856   2HD1  LEU  50          2HD1      LEU  50  13.447   7.795  12.422
  857   3HD1  LEU  50          3HD1      LEU  50  12.440   6.477  13.018
  858   1HD2  LEU  50          1HD2      LEU  50  10.861   8.247  15.738
  859   2HD2  LEU  50          2HD2      LEU  50  10.138   7.803  14.192
  860   3HD2  LEU  50          3HD2      LEU  50  11.212   6.676  15.021
  861    H    GLU  51           H        GLU  51   8.598  11.291  12.357
  862    HA   GLU  51           HA       GLU  51   9.036  13.808  13.547
  863   1HB   GLU  51          1HB       GLU  51   9.296  15.186  11.510
  864   2HB   GLU  51          2HB       GLU  51  10.681  14.145  11.799
  865   1HG   GLU  51          1HG       GLU  51   9.866  12.579  10.116
  866   2HG   GLU  51          2HG       GLU  51   8.464  13.611   9.834

  No H/Q in entry =         866
  Start of MODEL    5
    1    H1   GLY  -1           H1       GLY  -1   4.855  -8.649 -14.916
    2    H2   GLY  -1           H2       GLY  -1   4.511  -9.226 -16.468
    3    H3   GLY  -1           H3       GLY  -1   5.746  -8.091 -16.241
    4   1HA   GLY  -1          1HA       GLY  -1   3.232  -7.493 -16.995
    5   2HA   GLY  -1          2HA       GLY  -1   4.361  -6.363 -16.267
    6    H    SER   0           H        SER   0   4.439  -7.218 -13.668
    7    HA   SER   0           HA       SER   0   1.903  -7.701 -12.522
    8   1HB   SER   0          1HB       SER   0   3.002  -7.050 -10.386
    9   2HB   SER   0          2HB       SER   0   3.934  -8.231 -11.306
   10    HG   SER   0           HG       SER   0   5.470  -6.817 -10.978
   11    H    MET   1           H        MET   1   3.016  -5.143 -10.730
   12    HA   MET   1           HA       MET   1   1.718  -3.032 -12.219
   13   1HB   MET   1          1HB       MET   1   0.118  -2.544 -10.339
   14   2HB   MET   1          2HB       MET   1  -0.246  -3.990 -11.270
   15   1HG   MET   1          1HG       MET   1   0.576  -5.406  -9.552
   16   2HG   MET   1          2HG       MET   1   1.257  -4.042  -8.668
   17   1HE   MET   1          1HE       MET   1  -0.052  -2.067  -8.191
   18   2HE   MET   1          2HE       MET   1  -1.811  -1.938  -8.160
   19   3HE   MET   1          3HE       MET   1  -0.942  -2.485  -6.726
   20    H    GLN   2           H        GLN   2   2.911  -1.290 -11.928
   21    HA   GLN   2           HA       GLN   2   4.920  -1.047  -9.982
   22   1HB   GLN   2          1HB       GLN   2   5.129   1.273 -10.784
   23   2HB   GLN   2          2HB       GLN   2   5.051   0.122 -12.109
   24   1HG   GLN   2          1HG       GLN   2   2.699   0.668 -12.452
   25   2HG   GLN   2          2HG       GLN   2   2.771   1.818 -11.118
   26   1HE2  GLN   2          2HE2      GLN   2   2.923   3.832 -11.755
   27   2HE2  GLN   2          1HE2      GLN   2   3.735   4.401 -13.167
   28    H    ILE   3           H        ILE   3   5.011  -0.015  -8.056
   29    HA   ILE   3           HA       ILE   3   2.479   1.027  -6.974
   30    HB   ILE   3           HB       ILE   3   3.265   0.388  -4.752
   31   1HG1  ILE   3          1HG1      ILE   3   5.650  -0.781  -6.199
   32   2HG1  ILE   3          2HG1      ILE   3   5.677   0.622  -5.138
   33   1HG2  ILE   3          1HG2      ILE   3   3.352  -1.850  -6.766
   34   2HG2  ILE   3          2HG2      ILE   3   3.180  -2.070  -5.025
   35   3HG2  ILE   3          3HG2      ILE   3   1.929  -1.222  -5.936
   36   1HD1  ILE   3          1HD1      ILE   3   4.520  -1.663  -3.818
   37   2HD1  ILE   3          2HD1      ILE   3   6.137  -2.012  -4.429
   38   3HD1  ILE   3          3HD1      ILE   3   5.881  -0.649  -3.339
   39    H    PHE   4           H        PHE   4   2.603   2.824  -5.531
   40    HA   PHE   4           HA       PHE   4   4.748   4.654  -6.229
   41   1HB   PHE   4          1HB       PHE   4   2.243   5.070  -4.579
   42   2HB   PHE   4          2HB       PHE   4   3.389   6.335  -4.999
   43    HD1  PHE   4           HD1      PHE   4   2.655   7.747  -6.630
   44    HD2  PHE   4           HD2      PHE   4   1.571   3.636  -6.847
   45    HE1  PHE   4           HE1      PHE   4   1.414   8.187  -8.707
   46    HE2  PHE   4           HE2      PHE   4   0.330   4.071  -8.926
   47    HZ   PHE   4           HZ       PHE   4   0.251   6.348  -9.859
   48    H    VAL   5           H        VAL   5   6.395   5.181  -4.921
   49    HA   VAL   5           HA       VAL   5   6.228   4.538  -2.072
   50    HB   VAL   5           HB       VAL   5   8.518   3.623  -3.819
   51   1HG1  VAL   5          1HG1      VAL   5   9.230   4.273  -1.578
   52   2HG1  VAL   5          2HG1      VAL   5   8.010   3.212  -0.875
   53   3HG1  VAL   5          3HG1      VAL   5   9.346   2.526  -1.798
   54   1HG2  VAL   5          1HG2      VAL   5   6.055   2.295  -2.911
   55   2HG2  VAL   5          2HG2      VAL   5   7.086   1.954  -4.300
   56   3HG2  VAL   5          3HG2      VAL   5   7.541   1.370  -2.699
   57    H    LYS   6           H        LYS   6   7.823   5.594  -0.782
   58    HA   LYS   6           HA       LYS   6   9.332   7.741  -2.061
   59   1HB   LYS   6          1HB       LYS   6   7.387   8.155   0.217
   60   2HB   LYS   6          2HB       LYS   6   8.502   9.370  -0.390
   61   1HG   LYS   6          1HG       LYS   6   7.379   9.472  -2.483
   62   2HG   LYS   6          2HG       LYS   6   6.393   8.065  -2.088
   63   1HD   LYS   6          1HD       LYS   6   5.344   9.336  -0.263
   64   2HD   LYS   6          2HD       LYS   6   6.301  10.748  -0.715
   65   1HE   LYS   6          1HE       LYS   6   5.219  10.903  -2.830
   66   2HE   LYS   6          2HE       LYS   6   4.433   9.341  -2.608
   67   1HZ   LYS   6          1HZ       LYS   6   3.859  11.268  -0.542
   68   2HZ   LYS   6          2HZ       LYS   6   3.295  11.710  -2.074
   69   3HZ   LYS   6          3HZ       LYS   6   2.815  10.242  -1.388
   70    H    THR   7           H        THR   7  11.344   7.711  -1.328
   71    HA   THR   7           HA       THR   7  12.144   6.050   0.829
   72    HB   THR   7           HB       THR   7  14.390   6.888   0.449
   73    HG1  THR   7           HG1      THR   7  13.709   9.123   0.106
   74   1HG2  THR   7          1HG2      THR   7  12.666   6.105  -1.826
   75   2HG2  THR   7          2HG2      THR   7  14.263   6.736  -2.229
   76   3HG2  THR   7          3HG2      THR   7  14.111   5.327  -1.178
   77    H    LEU   8           H        LEU   8  14.177   7.740   1.973
   78    HA   LEU   8           HA       LEU   8  12.686   8.824   4.128
   79   1HB   LEU   8          1HB       LEU   8  15.603   9.226   3.465
   80   2HB   LEU   8          2HB       LEU   8  14.845   9.565   5.006
   81    HG   LEU   8           HG       LEU   8  14.238   7.040   5.016
   82   1HD1  LEU   8          1HD1      LEU   8  16.929   8.253   5.471
   83   2HD1  LEU   8          2HD1      LEU   8  15.731   7.713   6.646
   84   3HD1  LEU   8          3HD1      LEU   8  16.670   6.530   5.738
   85   1HD2  LEU   8          1HD2      LEU   8  16.095   7.260   2.719
   86   2HD2  LEU   8          2HD2      LEU   8  16.298   5.889   3.809
   87   3HD2  LEU   8          3HD2      LEU   8  14.756   6.147   2.993
   88    H    THR   9           H        THR   9  14.541  10.310   1.482
   89    HA   THR   9           HA       THR   9  13.754  12.974   2.294
   90    HB   THR   9           HB       THR   9  15.971  12.638   1.315
   91    HG1  THR   9           HG1      THR   9  14.372  14.546   0.768
   92   1HG2  THR   9          1HG2      THR   9  14.720  10.922  -0.429
   93   2HG2  THR   9          2HG2      THR   9  15.053  12.328  -1.442
   94   3HG2  THR   9          3HG2      THR   9  16.372  11.522  -0.590
   95    H    GLY  10           H        GLY  10  11.695  10.986   1.498
   96   1HA   GLY  10          1HA       GLY  10   9.934  12.672   0.145
   97   2HA   GLY  10          2HA       GLY  10   9.722  10.938   0.334
   98    H    LYS  11           H        LYS  11  12.074  10.161  -1.101
   99    HA   LYS  11           HA       LYS  11  11.977  11.305  -3.724
  100   1HB   LYS  11          1HB       LYS  11  14.047  10.332  -2.889
  101   2HB   LYS  11          2HB       LYS  11  13.268   8.765  -2.713
  102   1HG   LYS  11          1HG       LYS  11  12.874   8.801  -5.197
  103   2HG   LYS  11          2HG       LYS  11  13.922  10.221  -5.260
  104   1HD   LYS  11          1HD       LYS  11  14.693   7.499  -4.211
  105   2HD   LYS  11          2HD       LYS  11  15.159   8.175  -5.773
  106   1HE   LYS  11          1HE       LYS  11  15.888   9.297  -3.070
  107   2HE   LYS  11          2HE       LYS  11  16.960   8.388  -4.135
  108   1HZ   LYS  11          1HZ       LYS  11  15.795  10.575  -5.512
  109   2HZ   LYS  11          2HZ       LYS  11  16.569  11.114  -4.109
  110   3HZ   LYS  11          3HZ       LYS  11  17.429  10.222  -5.260
  111    H    THR  12           H        THR  12  10.688  10.761  -5.384
  112    HA   THR  12           HA       THR  12   8.613   8.826  -5.024
  113    HB   THR  12           HB       THR  12   9.430  10.299  -7.538
  114    HG1  THR  12           HG1      THR  12   7.929  11.001  -5.304
  115   1HG2  THR  12          1HG2      THR  12   7.874   8.136  -7.516
  116   2HG2  THR  12          2HG2      THR  12   6.661   9.335  -7.068
  117   3HG2  THR  12          3HG2      THR  12   7.558   9.508  -8.577
  118    H    ILE  13           H        ILE  13   8.490   6.758  -5.735
  119    HA   ILE  13           HA       ILE  13  10.392   5.773  -7.697
  120    HB   ILE  13           HB       ILE  13  11.799   5.288  -5.958
  121   1HG1  ILE  13          1HG1      ILE  13   9.940   2.929  -6.231
  122   2HG1  ILE  13          2HG1      ILE  13  11.474   3.201  -7.050
  123   1HG2  ILE  13          1HG2      ILE  13   9.609   5.797  -4.353
  124   2HG2  ILE  13          2HG2      ILE  13  10.051   4.133  -3.961
  125   3HG2  ILE  13          3HG2      ILE  13  11.246   5.425  -3.811
  126   1HD1  ILE  13          1HD1      ILE  13  12.619   2.979  -4.868
  127   2HD1  ILE  13          2HD1      ILE  13  11.064   2.576  -4.138
  128   3HD1  ILE  13          3HD1      ILE  13  11.761   1.523  -5.369
  129    H    THR  14           H        THR  14   9.602   4.219  -8.918
  130    HA   THR  14           HA       THR  14   6.956   3.137  -8.279
  131    HB   THR  14           HB       THR  14   7.181   2.269 -10.726
  132    HG1  THR  14           HG1      THR  14   9.077   4.397 -10.735
  133   1HG2  THR  14          1HG2      THR  14   6.001   4.467  -9.596
  134   2HG2  THR  14          2HG2      THR  14   6.964   5.180 -10.891
  135   3HG2  THR  14          3HG2      THR  14   5.777   3.930 -11.261
  136    H    LEU  15           H        LEU  15   6.522   0.900  -8.412
  137    HA   LEU  15           HA       LEU  15   8.709  -0.950  -8.804
  138   1HB   LEU  15          1HB       LEU  15   9.204  -0.455  -6.560
  139   2HB   LEU  15          2HB       LEU  15   7.514  -0.377  -6.115
  140    HG   LEU  15           HG       LEU  15   7.307  -2.782  -6.250
  141   1HD1  LEU  15          1HD1      LEU  15   9.675  -1.824  -4.662
  142   2HD1  LEU  15          2HD1      LEU  15   7.995  -1.939  -4.133
  143   3HD1  LEU  15          3HD1      LEU  15   8.923  -3.405  -4.454
  144   1HD2  LEU  15          1HD2      LEU  15   9.711  -2.572  -7.794
  145   2HD2  LEU  15          2HD2      LEU  15   9.935  -3.702  -6.459
  146   3HD2  LEU  15          3HD2      LEU  15   8.615  -3.939  -7.603
  147    H    GLU  16           H        GLU  16   7.794  -2.414 -10.080
  148    HA   GLU  16           HA       GLU  16   4.975  -2.982  -9.957
  149   1HB   GLU  16          1HB       GLU  16   5.429  -4.477 -11.867
  150   2HB   GLU  16          2HB       GLU  16   6.054  -2.855 -12.125
  151   1HG   GLU  16          1HG       GLU  16   8.296  -3.623 -11.543
  152   2HG   GLU  16          2HG       GLU  16   7.670  -5.249 -11.282
  153    H    VAL  17           H        VAL  17   4.008  -4.621  -8.981
  154    HA   VAL  17           HA       VAL  17   5.370  -7.085  -8.355
  155    HB   VAL  17           HB       VAL  17   4.693  -6.941  -5.904
  156   1HG1  VAL  17          1HG1      VAL  17   6.901  -5.150  -6.911
  157   2HG1  VAL  17          2HG1      VAL  17   6.745  -5.740  -5.256
  158   3HG1  VAL  17          3HG1      VAL  17   7.017  -6.877  -6.577
  159   1HG2  VAL  17          1HG2      VAL  17   3.995  -4.250  -6.809
  160   2HG2  VAL  17          2HG2      VAL  17   3.450  -5.149  -5.393
  161   3HG2  VAL  17          3HG2      VAL  17   4.985  -4.280  -5.350
  162    H    GLU  18           H        GLU  18   3.962  -8.734  -8.431
  163    HA   GLU  18           HA       GLU  18   1.345  -8.405  -9.285
  164   1HB   GLU  18          1HB       GLU  18   1.043 -10.790  -8.804
  165   2HB   GLU  18          2HB       GLU  18   2.580 -10.484  -9.597
  166   1HG   GLU  18          1HG       GLU  18   3.717 -10.626  -7.433
  167   2HG   GLU  18          2HG       GLU  18   2.172 -10.961  -6.655
  168    HA   PRO  19           HA       PRO  19  -1.022  -7.248  -5.740
  169   1HB   PRO  19          1HB       PRO  19  -3.358  -8.556  -6.378
  170   2HB   PRO  19          2HB       PRO  19  -2.873  -7.001  -7.048
  171   1HG   PRO  19          1HG       PRO  19  -2.584  -9.736  -8.213
  172   2HG   PRO  19          2HG       PRO  19  -3.115  -8.236  -8.990
  173   1HD   PRO  19          1HD       PRO  19  -0.633  -9.136  -9.328
  174   2HD   PRO  19          2HD       PRO  19  -0.939  -7.401  -9.132
  175    H    SER  20           H        SER  20  -1.093 -10.633  -6.768
  176    HA   SER  20           HA       SER  20  -2.074 -11.713  -4.362
  177   1HB   SER  20          1HB       SER  20  -0.323 -12.985  -6.478
  178   2HB   SER  20          2HB       SER  20  -1.174 -13.863  -5.209
  179    HG   SER  20           HG       SER  20  -2.209 -12.509  -7.443
  180    H    ASP  21           H        ASP  21   1.011 -10.496  -5.253
  181    HA   ASP  21           HA       ASP  21   2.667 -11.952  -3.508
  182   1HB   ASP  21          1HB       ASP  21   3.496 -10.468  -5.330
  183   2HB   ASP  21          2HB       ASP  21   3.008  -9.072  -4.374
  184    H    THR  22           H        THR  22   3.090 -11.804  -1.379
  185    HA   THR  22           HA       THR  22   1.269 -10.506   0.335
  186    HB   THR  22           HB       THR  22   2.774 -11.190   2.168
  187    HG1  THR  22           HG1      THR  22   4.456 -12.275   0.148
  188   1HG2  THR  22          1HG2      THR  22   1.195 -12.766   0.773
  189   2HG2  THR  22          2HG2      THR  22   2.720 -13.519   0.306
  190   3HG2  THR  22          3HG2      THR  22   2.266 -13.426   2.008
  191    H    ILE  23           H        ILE  23   1.490  -8.746   1.692
  192    HA   ILE  23           HA       ILE  23   2.742  -6.477   0.695
  193    HB   ILE  23           HB       ILE  23   1.959  -6.986   3.569
  194   1HG1  ILE  23          1HG1      ILE  23   0.379  -5.773   1.288
  195   2HG1  ILE  23          2HG1      ILE  23   0.102  -7.361   1.992
  196   1HG2  ILE  23          1HG2      ILE  23   3.484  -5.008   3.015
  197   2HG2  ILE  23          2HG2      ILE  23   2.085  -4.323   2.187
  198   3HG2  ILE  23          3HG2      ILE  23   2.005  -4.670   3.915
  199   1HD1  ILE  23          1HD1      ILE  23  -0.034  -4.888   3.670
  200   2HD1  ILE  23          2HD1      ILE  23  -1.411  -5.425   2.708
  201   3HD1  ILE  23          3HD1      ILE  23  -0.749  -6.474   3.962
  202    H    GLU  24           H        GLU  24   3.893  -8.825   3.060
  203    HA   GLU  24           HA       GLU  24   6.106  -7.427   4.024
  204   1HB   GLU  24          1HB       GLU  24   7.021  -9.632   4.631
  205   2HB   GLU  24          2HB       GLU  24   5.330  -9.472   5.076
  206   1HG   GLU  24          1HG       GLU  24   4.687 -10.760   3.105
  207   2HG   GLU  24          2HG       GLU  24   6.383 -10.921   2.658
  208    H    ASN  25           H        ASN  25   5.703  -9.312   1.082
  209    HA   ASN  25           HA       ASN  25   8.479  -9.293   0.396
  210   1HB   ASN  25          1HB       ASN  25   5.986  -9.970  -1.157
  211   2HB   ASN  25          2HB       ASN  25   7.594 -10.032  -1.871
  212   1HD2  ASN  25          2HD2      ASN  25   8.236 -12.048  -2.012
  213   2HD2  ASN  25          1HD2      ASN  25   8.049 -13.268  -0.802
  214    H    VAL  26           H        VAL  26   5.643  -7.467  -0.779
  215    HA   VAL  26           HA       VAL  26   6.955  -5.964  -2.711
  216    HB   VAL  26           HB       VAL  26   5.166  -4.313  -2.500
  217   1HG1  VAL  26          1HG1      VAL  26   4.916  -6.953  -3.237
  218   2HG1  VAL  26          2HG1      VAL  26   3.520  -6.681  -2.194
  219   3HG1  VAL  26          3HG1      VAL  26   3.779  -5.656  -3.607
  220   1HG2  VAL  26          1HG2      VAL  26   5.071  -4.445   0.018
  221   2HG2  VAL  26          2HG2      VAL  26   3.520  -4.348  -0.816
  222   3HG2  VAL  26          3HG2      VAL  26   4.089  -5.896  -0.191
  223    H    LYS  27           H        LYS  27   6.590  -5.328   0.760
  224    HA   LYS  27           HA       LYS  27   7.871  -2.787   0.687
  225   1HB   LYS  27          1HB       LYS  27   7.557  -4.684   3.022
  226   2HB   LYS  27          2HB       LYS  27   7.992  -2.984   3.127
  227   1HG   LYS  27          1HG       LYS  27   5.776  -2.457   2.066
  228   2HG   LYS  27          2HG       LYS  27   5.362  -4.158   2.271
  229   1HD   LYS  27          1HD       LYS  27   6.094  -2.222   4.466
  230   2HD   LYS  27          2HD       LYS  27   4.478  -2.832   4.111
  231   1HE   LYS  27          1HE       LYS  27   6.832  -4.507   4.970
  232   2HE   LYS  27          2HE       LYS  27   5.509  -3.992   6.012
  233   1HZ   LYS  27          1HZ       LYS  27   4.777  -5.402   3.574
  234   2HZ   LYS  27          2HZ       LYS  27   5.532  -6.321   4.777
  235   3HZ   LYS  27          3HZ       LYS  27   4.099  -5.490   5.122
  236    H    ALA  28           H        ALA  28   8.962  -6.085   1.241
  237    HA   ALA  28           HA       ALA  28  11.538  -5.599   2.163
  238   1HB   ALA  28          1HB       ALA  28  10.519  -7.871   0.467
  239   2HB   ALA  28          2HB       ALA  28  12.077  -7.852   1.293
  240   3HB   ALA  28          3HB       ALA  28  10.582  -7.803   2.228
  241    H    LYS  29           H        LYS  29  10.340  -5.769  -1.169
  242    HA   LYS  29           HA       LYS  29  12.851  -5.605  -2.445
  243   1HB   LYS  29          1HB       LYS  29  10.234  -4.534  -3.520
  244   2HB   LYS  29          2HB       LYS  29  11.620  -5.101  -4.444
  245   1HG   LYS  29          1HG       LYS  29  11.238  -7.372  -3.551
  246   2HG   LYS  29          2HG       LYS  29   9.794  -6.765  -2.735
  247   1HD   LYS  29          1HD       LYS  29   8.811  -6.166  -4.879
  248   2HD   LYS  29          2HD       LYS  29  10.268  -6.705  -5.714
  249   1HE   LYS  29          1HE       LYS  29   9.893  -8.980  -4.862
  250   2HE   LYS  29          2HE       LYS  29   8.416  -8.431  -4.076
  251   1HZ   LYS  29          1HZ       LYS  29   8.540  -7.795  -6.879
  252   2HZ   LYS  29          2HZ       LYS  29   8.564  -9.458  -6.567
  253   3HZ   LYS  29          3HZ       LYS  29   7.292  -8.507  -5.986
  254    H    ILE  30           H        ILE  30  10.578  -3.214  -1.264
  255    HA   ILE  30           HA       ILE  30  11.701  -0.907  -2.345
  256    HB   ILE  30           HB       ILE  30  10.374  -1.261   0.346
  257   1HG1  ILE  30          1HG1      ILE  30   9.225  -0.416  -2.324
  258   2HG1  ILE  30          2HG1      ILE  30   8.995  -1.988  -1.568
  259   1HG2  ILE  30          1HG2      ILE  30  11.766   0.857  -0.080
  260   2HG2  ILE  30          2HG2      ILE  30  10.506   1.291  -1.235
  261   3HG2  ILE  30          3HG2      ILE  30  10.103   1.064   0.468
  262   1HD1  ILE  30          1HD1      ILE  30   7.850  -0.892   0.308
  263   2HD1  ILE  30          2HD1      ILE  30   8.030   0.658  -0.515
  264   3HD1  ILE  30          3HD1      ILE  30   7.048  -0.615  -1.239
  265    H    GLN  31           H        GLN  31  12.631  -2.878   0.402
  266    HA   GLN  31           HA       GLN  31  14.491  -1.134   1.596
  267   1HB   GLN  31          1HB       GLN  31  14.608  -4.157   1.473
  268   2HB   GLN  31          2HB       GLN  31  15.430  -3.130   2.635
  269   1HG   GLN  31          1HG       GLN  31  13.304  -2.443   3.572
  270   2HG   GLN  31          2HG       GLN  31  12.448  -3.410   2.373
  271   1HE2  GLN  31          2HE2      GLN  31  15.191  -5.061   3.139
  272   2HE2  GLN  31          1HE2      GLN  31  14.568  -6.091   4.377
  273    H    ASP  32           H        ASP  32  14.730  -3.570  -0.939
  274    HA   ASP  32           HA       ASP  32  17.502  -3.364  -1.370
  275   1HB   ASP  32          1HB       ASP  32  16.131  -5.242  -2.217
  276   2HB   ASP  32          2HB       ASP  32  15.338  -4.143  -3.338
  277    H    LYS  33           H        LYS  33  14.707  -1.711  -2.670
  278    HA   LYS  33           HA       LYS  33  16.198  -0.112  -4.523
  279   1HB   LYS  33          1HB       LYS  33  13.335  -0.044  -3.578
  280   2HB   LYS  33          2HB       LYS  33  13.981   1.094  -4.755
  281   1HG   LYS  33          1HG       LYS  33  14.614  -0.863  -6.174
  282   2HG   LYS  33          2HG       LYS  33  13.755  -1.893  -5.030
  283   1HD   LYS  33          1HD       LYS  33  11.688  -0.721  -5.473
  284   2HD   LYS  33          2HD       LYS  33  12.524   0.401  -6.547
  285   1HE   LYS  33          1HE       LYS  33  12.309  -2.576  -6.971
  286   2HE   LYS  33          2HE       LYS  33  11.307  -1.364  -7.768
  287   1HZ   LYS  33          1HZ       LYS  33  13.436  -0.393  -8.627
  288   2HZ   LYS  33          2HZ       LYS  33  14.225  -1.781  -8.067
  289   3HZ   LYS  33          3HZ       LYS  33  13.031  -1.910  -9.257
  290    H    GLU  34           H        GLU  34  16.193  -0.071  -1.309
  291    HA   GLU  34           HA       GLU  34  17.257   2.543  -1.114
  292   1HB   GLU  34          1HB       GLU  34  14.843   3.119  -1.192
  293   2HB   GLU  34          2HB       GLU  34  14.585   2.136   0.243
  294   1HG   GLU  34          1HG       GLU  34  14.724   4.536   0.741
  295   2HG   GLU  34          2HG       GLU  34  15.976   3.599   1.553
  296    H    GLY  35           H        GLY  35  15.538   1.743   1.727
  297   1HA   GLY  35          1HA       GLY  35  17.963   1.108   3.100
  298   2HA   GLY  35          2HA       GLY  35  16.975  -0.321   2.848
  299    H    ILE  36           H        ILE  36  14.445   0.509   3.298
  300    HA   ILE  36           HA       ILE  36  14.559   1.491   6.061
  301    HB   ILE  36           HB       ILE  36  12.215   2.322   5.713
  302   1HG1  ILE  36          1HG1      ILE  36  11.754   1.050   3.628
  303   2HG1  ILE  36          2HG1      ILE  36  11.421   2.769   3.476
  304   1HG2  ILE  36          1HG2      ILE  36  14.701   3.499   5.038
  305   2HG2  ILE  36          2HG2      ILE  36  13.477   4.114   3.927
  306   3HG2  ILE  36          3HG2      ILE  36  13.245   4.268   5.668
  307   1HD1  ILE  36          1HD1      ILE  36  13.726   2.951   2.416
  308   2HD1  ILE  36          2HD1      ILE  36  13.661   1.193   2.283
  309   3HD1  ILE  36          3HD1      ILE  36  12.445   2.182   1.477
  310    HA   PRO  37           HA       PRO  37  13.009  -2.465   7.338
  311   1HB   PRO  37          1HB       PRO  37  11.592  -0.678   9.277
  312   2HB   PRO  37          2HB       PRO  37  12.478  -2.178   9.578
  313   1HG   PRO  37          1HG       PRO  37  13.596   0.168  10.119
  314   2HG   PRO  37          2HG       PRO  37  14.552  -1.137   9.391
  315   1HD   PRO  37          1HD       PRO  37  13.480   1.345   8.151
  316   2HD   PRO  37          2HD       PRO  37  14.959   0.444   7.777
  317    HA   PRO  38           HA       PRO  38   9.055  -2.859   5.383
  318   1HB   PRO  38          1HB       PRO  38   8.425  -4.847   7.492
  319   2HB   PRO  38          2HB       PRO  38   8.422  -5.032   5.737
  320   1HG   PRO  38          1HG       PRO  38  10.357  -6.100   7.239
  321   2HG   PRO  38          2HG       PRO  38  10.697  -5.418   5.640
  322   1HD   PRO  38          1HD       PRO  38  11.232  -4.272   8.344
  323   2HD   PRO  38          2HD       PRO  38  12.204  -4.170   6.862
  324    H    ASP  39           H        ASP  39   9.207  -2.629   8.900
  325    HA   ASP  39           HA       ASP  39   6.496  -2.001   9.342
  326   1HB   ASP  39          1HB       ASP  39   8.931  -1.292  10.993
  327   2HB   ASP  39          2HB       ASP  39   7.262  -1.186  11.546
  328    H    GLN  40           H        GLN  40   9.335   0.003   8.695
  329    HA   GLN  40           HA       GLN  40   8.165   2.490   9.213
  330   1HB   GLN  40          1HB       GLN  40  10.412   1.705   7.363
  331   2HB   GLN  40          2HB       GLN  40   9.943   3.376   7.644
  332   1HG   GLN  40          1HG       GLN  40  10.382   3.054  10.051
  333   2HG   GLN  40          2HG       GLN  40  10.946   1.425   9.700
  334   1HE2  GLN  40          2HE2      GLN  40  11.969   2.843   7.061
  335   2HE2  GLN  40          1HE2      GLN  40  13.503   3.452   7.570
  336    H    GLN  41           H        GLN  41   8.133   0.473   6.337
  337    HA   GLN  41           HA       GLN  41   7.201   2.255   4.441
  338   1HB   GLN  41          1HB       GLN  41   6.166  -0.565   4.636
  339   2HB   GLN  41          2HB       GLN  41   6.490   0.380   3.190
  340   1HG   GLN  41          1HG       GLN  41   8.562  -0.682   5.094
  341   2HG   GLN  41          2HG       GLN  41   8.147  -1.375   3.529
  342   1HE2  GLN  41          2HE2      GLN  41   9.829  -1.054   2.271
  343   2HE2  GLN  41          1HE2      GLN  41  10.641   0.450   2.031
  344    H    ARG  42           H        ARG  42   5.416   3.457   4.308
  345    HA   ARG  42           HA       ARG  42   3.206   2.914   6.095
  346   1HB   ARG  42          1HB       ARG  42   3.785   5.256   4.292
  347   2HB   ARG  42          2HB       ARG  42   2.350   5.124   5.294
  348   1HG   ARG  42          1HG       ARG  42   3.771   5.051   7.293
  349   2HG   ARG  42          2HG       ARG  42   5.194   5.238   6.268
  350   1HD   ARG  42          1HD       ARG  42   4.519   7.376   7.232
  351   2HD   ARG  42          2HD       ARG  42   4.353   7.386   5.476
  352    HE   ARG  42           HE       ARG  42   1.901   6.639   6.604
  353   1HH1  ARG  42          1HH1      ARG  42   3.988   9.420   6.358
  354   2HH1  ARG  42          2HH1      ARG  42   2.691  10.562   6.468
  355   1HH2  ARG  42          1HH2      ARG  42   0.188   8.138   6.747
  356   2HH2  ARG  42          2HH2      ARG  42   0.533   9.834   6.691
  357    H    LEU  43           H        LEU  43   1.446   1.827   5.460
  358    HA   LEU  43           HA       LEU  43   1.056   1.280   2.647
  359   1HB   LEU  43          1HB       LEU  43  -0.659   0.477   4.998
  360   2HB   LEU  43          2HB       LEU  43  -0.801  -0.133   3.364
  361    HG   LEU  43           HG       LEU  43   1.256  -0.764   5.440
  362   1HD1  LEU  43          1HD1      LEU  43   1.712  -0.569   2.516
  363   2HD1  LEU  43          2HD1      LEU  43   2.836  -0.351   3.857
  364   3HD1  LEU  43          3HD1      LEU  43   2.364  -1.975   3.357
  365   1HD2  LEU  43          1HD2      LEU  43  -0.933  -2.072   4.580
  366   2HD2  LEU  43          2HD2      LEU  43   0.275  -2.725   3.475
  367   3HD2  LEU  43          3HD2      LEU  43   0.501  -2.878   5.218
  368    H    ILE  44           H        ILE  44  -0.313   2.299   1.323
  369    HA   ILE  44           HA       ILE  44  -2.471   3.921   2.447
  370    HB   ILE  44           HB       ILE  44  -0.471   5.020   0.471
  371   1HG1  ILE  44          1HG1      ILE  44  -0.968   5.790   3.356
  372   2HG1  ILE  44          2HG1      ILE  44   0.415   4.869   2.778
  373   1HG2  ILE  44          1HG2      ILE  44  -2.913   5.723   0.286
  374   2HG2  ILE  44          2HG2      ILE  44  -2.676   6.529   1.837
  375   3HG2  ILE  44          3HG2      ILE  44  -1.715   7.008   0.438
  376   1HD1  ILE  44          1HD1      ILE  44   0.788   6.934   1.241
  377   2HD1  ILE  44          2HD1      ILE  44  -0.216   7.755   2.438
  378   3HD1  ILE  44          3HD1      ILE  44   1.289   6.976   2.932
  379    H    PHE  45           H        PHE  45  -4.256   4.072   1.155
  380    HA   PHE  45           HA       PHE  45  -4.098   2.972  -1.563
  381   1HB   PHE  45          1HB       PHE  45  -6.194   2.219   0.489
  382   2HB   PHE  45          2HB       PHE  45  -6.183   1.708  -1.196
  383    HD1  PHE  45           HD1      PHE  45  -4.250   1.502   1.964
  384    HD2  PHE  45           HD2      PHE  45  -5.061  -0.222  -1.840
  385    HE1  PHE  45           HE1      PHE  45  -2.899  -0.463   2.572
  386    HE2  PHE  45           HE2      PHE  45  -3.715  -2.192  -1.239
  387    HZ   PHE  45           HZ       PHE  45  -2.632  -2.315   0.970
  388    H    ALA  46           H        ALA  46  -5.389   3.989  -3.059
  389    HA   ALA  46           HA       ALA  46  -7.461   5.821  -2.131
  390   1HB   ALA  46          1HB       ALA  46  -5.632   7.310  -2.056
  391   2HB   ALA  46          2HB       ALA  46  -4.996   6.728  -3.594
  392   3HB   ALA  46          3HB       ALA  46  -6.487   7.669  -3.557
  393    H    GLY  47           H        GLY  47  -9.098   6.095  -3.566
  394   1HA   GLY  47          1HA       GLY  47 -10.442   5.600  -5.360
  395   2HA   GLY  47          2HA       GLY  47  -9.341   4.282  -5.721
  396    H    LYS  48           H        LYS  48 -10.763   6.606  -7.241
  397    HA   LYS  48           HA       LYS  48  -8.593   8.036  -8.468
  398   1HB   LYS  48          1HB       LYS  48  -8.338   5.846  -9.552
  399   2HB   LYS  48          2HB       LYS  48 -10.015   5.919 -10.079
  400   1HG   LYS  48          1HG       LYS  48  -9.532   7.854 -11.452
  401   2HG   LYS  48          2HG       LYS  48  -7.866   7.873 -10.874
  402   1HD   LYS  48          1HD       LYS  48  -7.980   6.853 -13.068
  403   2HD   LYS  48          2HD       LYS  48  -7.515   5.652 -11.861
  404   1HE   LYS  48          1HE       LYS  48  -9.817   4.834 -11.786
  405   2HE   LYS  48          2HE       LYS  48 -10.286   6.036 -12.985
  406   1HZ   LYS  48          1HZ       LYS  48  -8.077   4.514 -13.902
  407   2HZ   LYS  48          2HZ       LYS  48  -9.352   3.490 -13.466
  408   3HZ   LYS  48          3HZ       LYS  48  -9.603   4.714 -14.607
  409    H    GLN  49           H        GLN  49  -9.907   9.719  -7.743
  410    HA   GLN  49           HA       GLN  49 -12.555  10.109  -8.666
  411   1HB   GLN  49          1HB       GLN  49 -11.381  11.278  -6.713
  412   2HB   GLN  49          2HB       GLN  49 -10.607  12.293  -7.920
  413   1HG   GLN  49          1HG       GLN  49 -12.566  13.356  -6.919
  414   2HG   GLN  49          2HG       GLN  49 -12.750  13.116  -8.655
  415   1HE2  GLN  49          2HE2      GLN  49 -14.177  12.717  -5.669
  416   2HE2  GLN  49          1HE2      GLN  49 -15.436  11.624  -6.118
  417    H    LEU  50           H        LEU  50 -12.756   9.867 -10.811
  418    HA   LEU  50           HA       LEU  50 -11.082  10.414 -12.861
  419   1HB   LEU  50          1HB       LEU  50 -14.064  10.872 -12.900
  420   2HB   LEU  50          2HB       LEU  50 -13.048  10.689 -14.315
  421    HG   LEU  50           HG       LEU  50 -14.113   8.613 -14.033
  422   1HD1  LEU  50          1HD1      LEU  50 -11.573   8.620 -14.328
  423   2HD1  LEU  50          2HD1      LEU  50 -11.506   8.104 -12.641
  424   3HD1  LEU  50          3HD1      LEU  50 -12.342   7.110 -13.837
  425   1HD2  LEU  50          1HD2      LEU  50 -14.385   9.305 -11.403
  426   2HD2  LEU  50          2HD2      LEU  50 -14.821   7.748 -12.108
  427   3HD2  LEU  50          3HD2      LEU  50 -13.252   7.956 -11.330
  428    H    GLU  51           H        GLU  51  -9.874  12.279 -12.238
  429    HA   GLU  51           HA       GLU  51 -10.906  14.856 -11.932
  430   1HB   GLU  51          1HB       GLU  51  -8.243  14.038 -13.107
  431   2HB   GLU  51          2HB       GLU  51  -8.647  15.646 -12.524
  432   1HG   GLU  51          1HG       GLU  51  -8.953  14.761 -10.273
  433   2HG   GLU  51          2HG       GLU  51  -8.558  13.144 -10.855
  434    H1   GLY  -1           H1       GLY  -1  -4.836  -8.659  14.936
  435    H2   GLY  -1           H2       GLY  -1  -4.483  -9.228  16.489
  436    H3   GLY  -1           H3       GLY  -1  -5.727  -8.105  16.262
  437   1HA   GLY  -1          1HA       GLY  -1  -3.226  -7.476  17.014
  438   2HA   GLY  -1          2HA       GLY  -1  -4.359  -6.363  16.265
  439    H    SER   0           H        SER   0  -4.418  -7.226  13.679
  440    HA   SER   0           HA       SER   0  -1.880  -7.718  12.542
  441   1HB   SER   0          1HB       SER   0  -2.971  -7.073  10.402
  442   2HB   SER   0          2HB       SER   0  -3.917  -8.241  11.326
  443    HG   SER   0           HG       SER   0  -5.441  -6.815  10.993
  444    H    MET   1           H        MET   1  -2.953  -5.175  10.724
  445    HA   MET   1           HA       MET   1  -1.669  -3.057  12.221
  446   1HB   MET   1          1HB       MET   1  -0.064  -2.569  10.352
  447   2HB   MET   1          2HB       MET   1   0.295  -4.023  11.273
  448   1HG   MET   1          1HG       MET   1  -0.525  -5.424   9.541
  449   2HG   MET   1          2HG       MET   1  -1.203  -4.051   8.669
  450   1HE   MET   1          1HE       MET   1   0.117  -2.070   8.223
  451   2HE   MET   1          2HE       MET   1   1.877  -1.949   8.197
  452   3HE   MET   1          3HE       MET   1   1.008  -2.470   6.753
  453    H    GLN   2           H        GLN   2  -2.848  -1.314  11.922
  454    HA   GLN   2           HA       GLN   2  -4.873  -1.075  10.001
  455   1HB   GLN   2          1HB       GLN   2  -5.054   1.252  10.778
  456   2HB   GLN   2          2HB       GLN   2  -4.963   0.116  12.114
  457   1HG   GLN   2          1HG       GLN   2  -2.596   0.652  12.405
  458   2HG   GLN   2          2HG       GLN   2  -2.699   1.803  11.073
  459   1HE2  GLN   2          2HE2      GLN   2  -2.856   3.818  11.708
  460   2HE2  GLN   2          1HE2      GLN   2  -3.635   4.384  13.140
  461    H    ILE   3           H        ILE   3  -5.023   0.051   8.108
  462    HA   ILE   3           HA       ILE   3  -2.494   1.009   6.941
  463    HB   ILE   3           HB       ILE   3  -3.316   0.332   4.753
  464   1HG1  ILE   3          1HG1      ILE   3  -5.721  -0.751   6.228
  465   2HG1  ILE   3          2HG1      ILE   3  -5.718   0.647   5.161
  466   1HG2  ILE   3          1HG2      ILE   3  -3.464  -1.872   6.797
  467   2HG2  ILE   3          2HG2      ILE   3  -3.284  -2.114   5.059
  468   3HG2  ILE   3          3HG2      ILE   3  -2.019  -1.289   5.970
  469   1HD1  ILE   3          1HD1      ILE   3  -4.631  -1.655   3.824
  470   2HD1  ILE   3          2HD1      ILE   3  -6.233  -1.995   4.479
  471   3HD1  ILE   3          3HD1      ILE   3  -6.000  -0.634   3.381
  472    H    PHE   4           H        PHE   4  -2.617   2.806   5.514
  473    HA   PHE   4           HA       PHE   4  -4.748   4.653   6.214
  474   1HB   PHE   4          1HB       PHE   4  -2.242   5.045   4.558
  475   2HB   PHE   4          2HB       PHE   4  -3.379   6.320   4.970
  476    HD1  PHE   4           HD1      PHE   4  -2.637   7.735   6.595
  477    HD2  PHE   4           HD2      PHE   4  -1.578   3.620   6.834
  478    HE1  PHE   4           HE1      PHE   4  -1.392   8.179   8.670
  479    HE2  PHE   4           HE2      PHE   4  -0.334   4.057   8.911
  480    HZ   PHE   4           HZ       PHE   4  -0.241   6.338   9.832
  481    H    VAL   5           H        VAL   5  -6.379   5.228   4.893
  482    HA   VAL   5           HA       VAL   5  -6.231   4.561   2.050
  483    HB   VAL   5           HB       VAL   5  -8.526   3.669   3.803
  484   1HG1  VAL   5          1HG1      VAL   5  -9.241   4.308   1.564
  485   2HG1  VAL   5          2HG1      VAL   5  -8.019   3.250   0.860
  486   3HG1  VAL   5          3HG1      VAL   5  -9.354   2.562   1.784
  487   1HG2  VAL   5          1HG2      VAL   5  -6.073   2.317   2.901
  488   2HG2  VAL   5          2HG2      VAL   5  -7.106   1.991   4.292
  489   3HG2  VAL   5          3HG2      VAL   5  -7.567   1.404   2.694
  490    H    LYS   6           H        LYS   6  -7.793   5.632   0.752
  491    HA   LYS   6           HA       LYS   6  -9.309   7.786   2.020
  492   1HB   LYS   6          1HB       LYS   6  -7.448   8.193  -0.329
  493   2HB   LYS   6          2HB       LYS   6  -8.532   9.403   0.336
  494   1HG   LYS   6          1HG       LYS   6  -7.278   9.213   2.496
  495   2HG   LYS   6          2HG       LYS   6  -6.110   8.201   1.646
  496   1HD   LYS   6          1HD       LYS   6  -5.699  10.024   0.055
  497   2HD   LYS   6          2HD       LYS   6  -6.847  11.037   0.929
  498   1HE   LYS   6          1HE       LYS   6  -4.700  11.683   1.672
  499   2HE   LYS   6          2HE       LYS   6  -5.401  10.716   2.968
  500   1HZ   LYS   6          1HZ       LYS   6  -3.495   9.693   0.938
  501   2HZ   LYS   6          2HZ       LYS   6  -3.073  10.158   2.508
  502   3HZ   LYS   6          3HZ       LYS   6  -4.103   8.838   2.265
  503    H    THR   7           H        THR   7 -11.334   7.763   1.294
  504    HA   THR   7           HA       THR   7 -12.120   6.063  -0.861
  505    HB   THR   7           HB       THR   7 -14.387   6.829  -0.436
  506    HG1  THR   7           HG1      THR   7 -13.738   9.076  -0.042
  507   1HG2  THR   7          1HG2      THR   7 -12.611   6.028   1.789
  508   2HG2  THR   7          2HG2      THR   7 -14.208   6.624   2.240
  509   3HG2  THR   7          3HG2      THR   7 -14.057   5.243   1.153
  510    H    LEU   8           H        LEU   8 -14.229   7.695  -1.936
  511    HA   LEU   8           HA       LEU   8 -12.899   8.821  -4.149
  512   1HB   LEU   8          1HB       LEU   8 -15.736   9.032  -3.163
  513   2HB   LEU   8          2HB       LEU   8 -15.199   9.809  -4.637
  514    HG   LEU   8           HG       LEU   8 -14.675   7.646  -5.630
  515   1HD1  LEU   8          1HD1      LEU   8 -14.068   6.546  -3.453
  516   2HD1  LEU   8          2HD1      LEU   8 -15.796   6.354  -3.162
  517   3HD1  LEU   8          3HD1      LEU   8 -15.044   5.575  -4.553
  518   1HD2  LEU   8          1HD2      LEU   8 -17.207   8.626  -5.051
  519   2HD2  LEU   8          2HD2      LEU   8 -16.786   7.443  -6.289
  520   3HD2  LEU   8          3HD2      LEU   8 -17.298   6.903  -4.691
  521    H    THR   9           H        THR   9 -14.627  10.360  -1.439
  522    HA   THR   9           HA       THR   9 -13.755  12.993  -2.253
  523    HB   THR   9           HB       THR   9 -15.968  12.732  -1.255
  524    HG1  THR   9           HG1      THR   9 -14.366  14.603  -0.750
  525   1HG2  THR   9          1HG2      THR   9 -14.742  10.971   0.478
  526   2HG2  THR   9          2HG2      THR   9 -15.074  12.374   1.496
  527   3HG2  THR   9          3HG2      THR   9 -16.389  11.586   0.623
  528    H    GLY  10           H        GLY  10 -11.719  10.988  -1.520
  529   1HA   GLY  10          1HA       GLY  10  -9.910  12.613  -0.172
  530   2HA   GLY  10          2HA       GLY  10  -9.744  10.874  -0.363
  531    H    LYS  11           H        LYS  11 -12.112  10.171   1.094
  532    HA   LYS  11           HA       LYS  11 -11.989  11.309   3.708
  533   1HB   LYS  11          1HB       LYS  11 -14.060  10.331   2.897
  534   2HB   LYS  11          2HB       LYS  11 -13.279   8.766   2.711
  535   1HG   LYS  11          1HG       LYS  11 -12.859   8.814   5.197
  536   2HG   LYS  11          2HG       LYS  11 -13.932  10.214   5.261
  537   1HD   LYS  11          1HD       LYS  11 -14.657   7.476   4.223
  538   2HD   LYS  11          2HD       LYS  11 -15.132   8.149   5.784
  539   1HE   LYS  11          1HE       LYS  11 -15.889   9.245   3.080
  540   2HE   LYS  11          2HE       LYS  11 -16.941   8.325   4.155
  541   1HZ   LYS  11          1HZ       LYS  11 -15.810  10.534   5.522
  542   2HZ   LYS  11          2HZ       LYS  11 -16.585  11.060   4.112
  543   3HZ   LYS  11          3HZ       LYS  11 -17.440  10.162   5.263
  544    H    THR  12           H        THR  12 -10.707  10.772   5.375
  545    HA   THR  12           HA       THR  12  -8.627   8.841   5.020
  546    HB   THR  12           HB       THR  12  -9.447  10.318   7.531
  547    HG1  THR  12           HG1      THR  12  -7.926  11.010   5.302
  548   1HG2  THR  12          1HG2      THR  12  -7.891   8.155   7.515
  549   2HG2  THR  12          2HG2      THR  12  -6.677   9.353   7.065
  550   3HG2  THR  12          3HG2      THR  12  -7.575   9.531   8.573
  551    H    ILE  13           H        ILE  13  -8.554   6.764   5.648
  552    HA   ILE  13           HA       ILE  13 -10.480   5.787   7.608
  553    HB   ILE  13           HB       ILE  13 -11.824   5.126   5.930
  554   1HG1  ILE  13          1HG1      ILE  13  -9.696   2.992   5.982
  555   2HG1  ILE  13          2HG1      ILE  13 -11.228   3.019   6.849
  556   1HG2  ILE  13          1HG2      ILE  13  -9.700   5.952   4.313
  557   2HG2  ILE  13          2HG2      ILE  13 -10.110   4.322   3.774
  558   3HG2  ILE  13          3HG2      ILE  13 -11.351   5.578   3.815
  559   1HD1  ILE  13          1HD1      ILE  13 -12.336   2.925   4.567
  560   2HD1  ILE  13          2HD1      ILE  13 -10.738   2.519   3.936
  561   3HD1  ILE  13          3HD1      ILE  13 -11.513   1.468   5.126
  562    H    THR  14           H        THR  14  -9.765   4.201   8.845
  563    HA   THR  14           HA       THR  14  -7.037   3.217   8.380
  564    HB   THR  14           HB       THR  14  -8.274   2.545  10.953
  565    HG1  THR  14           HG1      THR  14  -9.245   4.557  10.783
  566   1HG2  THR  14          1HG2      THR  14  -5.699   3.283   9.831
  567   2HG2  THR  14          2HG2      THR  14  -6.024   4.115  11.352
  568   3HG2  THR  14          3HG2      THR  14  -6.070   2.353  11.283
  569    H    LEU  15           H        LEU  15  -6.579   0.971   8.477
  570    HA   LEU  15           HA       LEU  15  -8.738  -0.908   8.880
  571   1HB   LEU  15          1HB       LEU  15  -9.065  -0.080   6.564
  572   2HB   LEU  15          2HB       LEU  15  -7.457  -0.627   6.158
  573    HG   LEU  15           HG       LEU  15  -9.713  -2.443   7.006
  574   1HD1  LEU  15          1HD1      LEU  15  -8.650  -1.675   4.300
  575   2HD1  LEU  15          2HD1      LEU  15  -9.611  -3.127   4.580
  576   3HD1  LEU  15          3HD1      LEU  15 -10.304  -1.536   4.898
  577   1HD2  LEU  15          1HD2      LEU  15  -6.872  -2.881   6.217
  578   2HD2  LEU  15          2HD2      LEU  15  -7.815  -3.637   7.503
  579   3HD2  LEU  15          3HD2      LEU  15  -8.091  -4.096   5.823
  580    H    GLU  16           H        GLU  16  -7.784  -2.400  10.102
  581    HA   GLU  16           HA       GLU  16  -4.954  -2.922   9.913
  582   1HB   GLU  16          1HB       GLU  16  -5.332  -4.401  11.844
  583   2HB   GLU  16          2HB       GLU  16  -5.992  -2.792  12.103
  584   1HG   GLU  16          1HG       GLU  16  -8.226  -3.622  11.576
  585   2HG   GLU  16          2HG       GLU  16  -7.567  -5.232  11.311
  586    H    VAL  17           H        VAL  17  -3.969  -4.631   9.033
  587    HA   VAL  17           HA       VAL  17  -5.319  -7.094   8.426
  588    HB   VAL  17           HB       VAL  17  -4.559  -6.948   5.956
  589   1HG1  VAL  17          1HG1      VAL  17  -6.979  -5.472   6.972
  590   2HG1  VAL  17          2HG1      VAL  17  -6.737  -5.964   5.296
  591   3HG1  VAL  17          3HG1      VAL  17  -6.869  -7.183   6.563
  592   1HG2  VAL  17          1HG2      VAL  17  -4.152  -4.212   6.862
  593   2HG2  VAL  17          2HG2      VAL  17  -3.565  -5.024   5.411
  594   3HG2  VAL  17          3HG2      VAL  17  -5.183  -4.320   5.433
  595    H    GLU  18           H        GLU  18  -3.909  -8.745   8.449
  596    HA   GLU  18           HA       GLU  18  -1.287  -8.409   9.301
  597   1HB   GLU  18          1HB       GLU  18  -0.984 -10.806   8.737
  598   2HB   GLU  18          2HB       GLU  18  -2.449 -10.491   9.655
  599   1HG   GLU  18          1HG       GLU  18  -3.770 -10.623   7.614
  600   2HG   GLU  18          2HG       GLU  18  -2.305 -10.908   6.678
  601    HA   PRO  19           HA       PRO  19   1.073  -7.233   5.757
  602   1HB   PRO  19          1HB       PRO  19   3.395  -8.593   6.386
  603   2HB   PRO  19          2HB       PRO  19   2.954  -7.012   7.023
  604   1HG   PRO  19          1HG       PRO  19   2.641  -9.711   8.258
  605   2HG   PRO  19          2HG       PRO  19   3.157  -8.191   9.008
  606   1HD   PRO  19          1HD       PRO  19   0.676  -9.106   9.351
  607   2HD   PRO  19          2HD       PRO  19   0.987  -7.374   9.127
  608    H    SER  20           H        SER  20   1.123 -10.624   6.764
  609    HA   SER  20           HA       SER  20   2.089 -11.694   4.349
  610   1HB   SER  20          1HB       SER  20   0.315 -12.996   6.429
  611   2HB   SER  20          2HB       SER  20   1.231 -13.842   5.185
  612    HG   SER  20           HG       SER  20   2.163 -12.478   7.457
  613    H    ASP  21           H        ASP  21  -1.025 -10.538   5.294
  614    HA   ASP  21           HA       ASP  21  -2.672 -11.953   3.531
  615   1HB   ASP  21          1HB       ASP  21  -3.476 -10.469   5.371
  616   2HB   ASP  21          2HB       ASP  21  -3.007  -9.075   4.403
  617    H    THR  22           H        THR  22  -3.075 -11.815   1.402
  618    HA   THR  22           HA       THR  22  -1.267 -10.508  -0.312
  619    HB   THR  22           HB       THR  22  -2.780 -11.188  -2.144
  620    HG1  THR  22           HG1      THR  22  -4.442 -12.304  -0.126
  621   1HG2  THR  22          1HG2      THR  22  -1.179 -12.758  -0.768
  622   2HG2  THR  22          2HG2      THR  22  -2.694 -13.523  -0.290
  623   3HG2  THR  22          3HG2      THR  22  -2.257 -13.422  -1.997
  624    H    ILE  23           H        ILE  23  -1.499  -8.758  -1.684
  625    HA   ILE  23           HA       ILE  23  -2.751  -6.485  -0.687
  626    HB   ILE  23           HB       ILE  23  -1.966  -6.999  -3.561
  627   1HG1  ILE  23          1HG1      ILE  23  -0.380  -5.786  -1.284
  628   2HG1  ILE  23          2HG1      ILE  23  -0.111  -7.378  -1.982
  629   1HG2  ILE  23          1HG2      ILE  23  -3.485  -5.017  -3.004
  630   2HG2  ILE  23          2HG2      ILE  23  -2.081  -4.336  -2.182
  631   3HG2  ILE  23          3HG2      ILE  23  -2.009  -4.684  -3.909
  632   1HD1  ILE  23          1HD1      ILE  23   0.028  -4.923  -3.682
  633   2HD1  ILE  23          2HD1      ILE  23   1.404  -5.439  -2.704
  634   3HD1  ILE  23          3HD1      ILE  23   0.755  -6.509  -3.947
  635    H    GLU  24           H        GLU  24  -3.896  -8.842  -3.046
  636    HA   GLU  24           HA       GLU  24  -6.104  -7.448  -4.025
  637   1HB   GLU  24          1HB       GLU  24  -7.016  -9.655  -4.628
  638   2HB   GLU  24          2HB       GLU  24  -5.322  -9.497  -5.063
  639   1HG   GLU  24          1HG       GLU  24  -4.690 -10.777  -3.085
  640   2HG   GLU  24          2HG       GLU  24  -6.388 -10.935  -2.646
  641    H    ASN  25           H        ASN  25  -5.732  -9.349  -1.083
  642    HA   ASN  25           HA       ASN  25  -8.512  -9.307  -0.417
  643   1HB   ASN  25          1HB       ASN  25  -6.040 -10.001   1.161
  644   2HB   ASN  25          2HB       ASN  25  -7.658 -10.069   1.848
  645   1HD2  ASN  25          2HD2      ASN  25  -8.303 -12.085   1.967
  646   2HD2  ASN  25          1HD2      ASN  25  -8.094 -13.297   0.752
  647    H    VAL  26           H        VAL  26  -5.669  -7.519   0.802
  648    HA   VAL  26           HA       VAL  26  -6.977  -6.015   2.729
  649    HB   VAL  26           HB       VAL  26  -5.179  -4.374   2.534
  650   1HG1  VAL  26          1HG1      VAL  26  -4.939  -7.032   3.232
  651   2HG1  VAL  26          2HG1      VAL  26  -3.533  -6.736   2.209
  652   3HG1  VAL  26          3HG1      VAL  26  -3.810  -5.738   3.637
  653   1HG2  VAL  26          1HG2      VAL  26  -5.087  -4.490   0.010
  654   2HG2  VAL  26          2HG2      VAL  26  -3.538  -4.392   0.848
  655   3HG2  VAL  26          3HG2      VAL  26  -4.100  -5.938   0.213
  656    H    LYS  27           H        LYS  27  -6.618  -5.377  -0.740
  657    HA   LYS  27           HA       LYS  27  -7.895  -2.831  -0.657
  658   1HB   LYS  27          1HB       LYS  27  -7.558  -4.724  -2.993
  659   2HB   LYS  27          2HB       LYS  27  -8.027  -3.035  -3.104
  660   1HG   LYS  27          1HG       LYS  27  -5.824  -2.463  -2.033
  661   2HG   LYS  27          2HG       LYS  27  -5.373  -4.153  -2.249
  662   1HD   LYS  27          1HD       LYS  27  -6.144  -2.217  -4.431
  663   2HD   LYS  27          2HD       LYS  27  -4.517  -2.803  -4.082
  664   1HE   LYS  27          1HE       LYS  27  -6.849  -4.504  -4.957
  665   2HE   LYS  27          2HE       LYS  27  -5.524  -3.971  -5.988
  666   1HZ   LYS  27          1HZ       LYS  27  -4.779  -5.377  -3.556
  667   2HZ   LYS  27          2HZ       LYS  27  -5.540  -6.305  -4.749
  668   3HZ   LYS  27          3HZ       LYS  27  -4.114  -5.470  -5.109
  669    H    ALA  28           H        ALA  28  -8.973  -6.129  -1.220
  670    HA   ALA  28           HA       ALA  28 -11.555  -5.648  -2.133
  671   1HB   ALA  28          1HB       ALA  28 -12.081  -7.910  -1.271
  672   2HB   ALA  28          2HB       ALA  28 -10.593  -7.850  -2.217
  673   3HB   ALA  28          3HB       ALA  28 -10.516  -7.927  -0.457
  674    H    LYS  29           H        LYS  29 -10.309  -5.757   1.173
  675    HA   LYS  29           HA       LYS  29 -12.820  -5.630   2.476
  676   1HB   LYS  29          1HB       LYS  29 -10.182  -4.583   3.527
  677   2HB   LYS  29          2HB       LYS  29 -11.568  -5.124   4.466
  678   1HG   LYS  29          1HG       LYS  29 -11.230  -7.404   3.564
  679   2HG   LYS  29          2HG       LYS  29  -9.772  -6.819   2.756
  680   1HD   LYS  29          1HD       LYS  29  -8.789  -6.242   4.903
  681   2HD   LYS  29          2HD       LYS  29 -10.259  -6.754   5.733
  682   1HE   LYS  29          1HE       LYS  29  -9.923  -9.035   4.869
  683   2HE   LYS  29          2HE       LYS  29  -8.425  -8.510   4.107
  684   1HZ   LYS  29          1HZ       LYS  29  -8.579  -7.888   6.912
  685   2HZ   LYS  29          2HZ       LYS  29  -8.624  -9.548   6.588
  686   3HZ   LYS  29          3HZ       LYS  29  -7.330  -8.612   6.032
  687    H    ILE  30           H        ILE  30 -10.560  -3.264   1.248
  688    HA   ILE  30           HA       ILE  30 -11.664  -0.945   2.340
  689    HB   ILE  30           HB       ILE  30 -10.339  -1.294  -0.352
  690   1HG1  ILE  30          1HG1      ILE  30  -9.171  -0.519   2.330
  691   2HG1  ILE  30          2HG1      ILE  30  -8.960  -2.076   1.538
  692   1HG2  ILE  30          1HG2      ILE  30 -11.692   0.839   0.117
  693   2HG2  ILE  30          2HG2      ILE  30 -10.416   1.232   1.269
  694   3HG2  ILE  30          3HG2      ILE  30 -10.029   1.025  -0.439
  695   1HD1  ILE  30          1HD1      ILE  30  -7.793  -0.967  -0.305
  696   2HD1  ILE  30          2HD1      ILE  30  -7.980   0.579   0.522
  697   3HD1  ILE  30          3HD1      ILE  30  -7.001  -0.695   1.248
  698    H    GLN  31           H        GLN  31 -12.631  -2.954  -0.358
  699    HA   GLN  31           HA       GLN  31 -14.458  -1.202  -1.597
  700   1HB   GLN  31          1HB       GLN  31 -14.624  -4.219  -1.392
  701   2HB   GLN  31          2HB       GLN  31 -15.454  -3.212  -2.567
  702   1HG   GLN  31          1HG       GLN  31 -13.326  -2.566  -3.542
  703   2HG   GLN  31          2HG       GLN  31 -12.473  -3.538  -2.343
  704   1HE2  GLN  31          2HE2      GLN  31 -15.267  -5.131  -3.062
  705   2HE2  GLN  31          1HE2      GLN  31 -14.681  -6.190  -4.292
  706    H    ASP  32           H        ASP  32 -14.794  -3.644   0.939
  707    HA   ASP  32           HA       ASP  32 -17.546  -3.213   1.416
  708   1HB   ASP  32          1HB       ASP  32 -16.410  -5.254   2.178
  709   2HB   ASP  32          2HB       ASP  32 -15.403  -4.299   3.261
  710    H    LYS  33           H        LYS  33 -14.590  -1.806   2.505
  711    HA   LYS  33           HA       LYS  33 -15.602  -0.220   4.620
  712   1HB   LYS  33          1HB       LYS  33 -13.094  -0.108   2.947
  713   2HB   LYS  33          2HB       LYS  33 -13.413   1.041   4.241
  714   1HG   LYS  33          1HG       LYS  33 -13.326  -1.940   4.628
  715   2HG   LYS  33          2HG       LYS  33 -11.938  -0.875   4.858
  716   1HD   LYS  33          1HD       LYS  33 -13.202   0.368   6.564
  717   2HD   LYS  33          2HD       LYS  33 -14.553  -0.748   6.353
  718   1HE   LYS  33          1HE       LYS  33 -13.083  -2.610   7.023
  719   2HE   LYS  33          2HE       LYS  33 -11.780  -1.456   7.300
  720   1HZ   LYS  33          1HZ       LYS  33 -13.295  -0.347   8.925
  721   2HZ   LYS  33          2HZ       LYS  33 -14.344  -1.666   8.770
  722   3HZ   LYS  33          3HZ       LYS  33 -12.782  -1.893   9.379
  723    H    GLU  34           H        GLU  34 -15.748   0.013   1.226
  724    HA   GLU  34           HA       GLU  34 -17.209   2.491   1.373
  725   1HB   GLU  34          1HB       GLU  34 -14.925   3.346   1.244
  726   2HB   GLU  34          2HB       GLU  34 -14.613   2.355  -0.173
  727   1HG   GLU  34          1HG       GLU  34 -14.991   4.631  -0.839
  728   2HG   GLU  34          2HG       GLU  34 -16.316   3.619  -1.412
  729    H    GLY  35           H        GLY  35 -15.474   1.444  -1.500
  730   1HA   GLY  35          1HA       GLY  35 -17.989   1.027  -2.870
  731   2HA   GLY  35          2HA       GLY  35 -17.039  -0.433  -2.647
  732    H    ILE  36           H        ILE  36 -14.489   0.417  -3.066
  733    HA   ILE  36           HA       ILE  36 -14.563   1.474  -5.811
  734    HB   ILE  36           HB       ILE  36 -11.938   1.715  -4.929
  735   1HG1  ILE  36          1HG1      ILE  36 -12.162   3.144  -2.906
  736   2HG1  ILE  36          2HG1      ILE  36 -13.853   2.674  -2.795
  737   1HG2  ILE  36          1HG2      ILE  36 -14.127   3.414  -5.779
  738   2HG2  ILE  36          2HG2      ILE  36 -12.980   4.237  -4.718
  739   3HG2  ILE  36          3HG2      ILE  36 -12.413   3.459  -6.199
  740   1HD1  ILE  36          1HD1      ILE  36 -12.514   0.270  -2.925
  741   2HD1  ILE  36          2HD1      ILE  36 -11.479   1.284  -1.920
  742   3HD1  ILE  36          3HD1      ILE  36 -13.166   1.036  -1.475
  743    HA   PRO  37           HA       PRO  37 -13.075  -2.434  -7.304
  744   1HB   PRO  37          1HB       PRO  37 -11.612  -0.625  -9.181
  745   2HB   PRO  37          2HB       PRO  37 -12.598  -2.049  -9.539
  746   1HG   PRO  37          1HG       PRO  37 -13.575   0.371  -9.967
  747   2HG   PRO  37          2HG       PRO  37 -14.600  -0.880  -9.238
  748   1HD   PRO  37          1HD       PRO  37 -13.227   1.438  -7.941
  749   2HD   PRO  37          2HD       PRO  37 -14.829   0.751  -7.614
  750    HA   PRO  38           HA       PRO  38  -9.121  -2.915  -5.342
  751   1HB   PRO  38          1HB       PRO  38  -8.538  -4.900  -7.465
  752   2HB   PRO  38          2HB       PRO  38  -8.527  -5.094  -5.711
  753   1HG   PRO  38          1HG       PRO  38 -10.489  -6.121  -7.212
  754   2HG   PRO  38          2HG       PRO  38 -10.807  -5.451  -5.603
  755   1HD   PRO  38          1HD       PRO  38 -11.351  -4.274  -8.292
  756   2HD   PRO  38          2HD       PRO  38 -12.302  -4.163  -6.797
  757    H    ASP  39           H        ASP  39  -9.295  -2.672  -8.853
  758    HA   ASP  39           HA       ASP  39  -6.570  -2.078  -9.293
  759   1HB   ASP  39          1HB       ASP  39  -8.993  -1.424 -10.979
  760   2HB   ASP  39          2HB       ASP  39  -7.321  -1.315 -11.521
  761    H    GLN  40           H        GLN  40  -9.377  -0.059  -8.572
  762    HA   GLN  40           HA       GLN  40  -8.139   2.383  -9.237
  763   1HB   GLN  40          1HB       GLN  40 -10.476   1.778  -7.433
  764   2HB   GLN  40          2HB       GLN  40  -9.969   3.407  -7.862
  765   1HG   GLN  40          1HG       GLN  40 -10.279   2.806 -10.255
  766   2HG   GLN  40          2HG       GLN  40 -10.936   1.259  -9.734
  767   1HE2  GLN  40          2HE2      GLN  40 -11.890   3.319  -7.424
  768   2HE2  GLN  40          1HE2      GLN  40 -13.420   3.805  -8.061
  769    H    GLN  41           H        GLN  41  -8.243   0.522  -6.234
  770    HA   GLN  41           HA       GLN  41  -7.273   2.410  -4.454
  771   1HB   GLN  41          1HB       GLN  41  -6.999  -0.562  -4.630
  772   2HB   GLN  41          2HB       GLN  41  -6.043   0.307  -3.440
  773   1HG   GLN  41          1HG       GLN  41  -8.027  -0.473  -2.389
  774   2HG   GLN  41          2HG       GLN  41  -8.130   1.279  -2.541
  775   1HE2  GLN  41          2HE2      GLN  41  -9.882  -1.403  -2.703
  776   2HE2  GLN  41          1HE2      GLN  41 -11.091  -0.933  -3.839
  777    H    ARG  42           H        ARG  42  -5.424   3.497  -4.266
  778    HA   ARG  42           HA       ARG  42  -3.282   2.917  -6.108
  779   1HB   ARG  42          1HB       ARG  42  -3.733   5.225  -4.233
  780   2HB   ARG  42          2HB       ARG  42  -2.323   5.070  -5.267
  781   1HG   ARG  42          1HG       ARG  42  -3.766   5.109  -7.238
  782   2HG   ARG  42          2HG       ARG  42  -5.177   5.279  -6.193
  783   1HD   ARG  42          1HD       ARG  42  -4.527   7.446  -7.048
  784   2HD   ARG  42          2HD       ARG  42  -4.243   7.374  -5.309
  785    HE   ARG  42           HE       ARG  42  -1.877   6.650  -6.593
  786   1HH1  ARG  42          1HH1      ARG  42  -3.931   9.442  -6.234
  787   2HH1  ARG  42          2HH1      ARG  42  -2.634  10.577  -6.397
  788   1HH2  ARG  42          1HH2      ARG  42  -0.163   8.139  -6.804
  789   2HH2  ARG  42          2HH2      ARG  42  -0.492   9.837  -6.722
  790    H    LEU  43           H        LEU  43  -1.463   1.908  -5.607
  791    HA   LEU  43           HA       LEU  43  -0.959   1.091  -2.878
  792   1HB   LEU  43          1HB       LEU  43   0.336   0.545  -5.532
  793   2HB   LEU  43          2HB       LEU  43   1.160   0.122  -4.047
  794    HG   LEU  43           HG       LEU  43  -0.257  -1.660  -5.312
  795   1HD1  LEU  43          1HD1      LEU  43  -2.293  -0.272  -5.438
  796   2HD1  LEU  43          2HD1      LEU  43  -2.558  -1.820  -4.637
  797   3HD1  LEU  43          3HD1      LEU  43  -2.418  -0.345  -3.681
  798   1HD2  LEU  43          1HD2      LEU  43   0.836  -1.701  -2.976
  799   2HD2  LEU  43          2HD2      LEU  43  -0.815  -1.503  -2.384
  800   3HD2  LEU  43          3HD2      LEU  43  -0.395  -2.900  -3.376
  801    H    ILE  44           H        ILE  44   0.298   2.175  -1.476
  802    HA   ILE  44           HA       ILE  44   2.422   3.904  -2.505
  803    HB   ILE  44           HB       ILE  44   0.321   4.873  -0.568
  804   1HG1  ILE  44          1HG1      ILE  44   0.977   5.761  -3.387
  805   2HG1  ILE  44          2HG1      ILE  44  -0.457   4.862  -2.906
  806   1HG2  ILE  44          1HG2      ILE  44   2.725   5.605  -0.182
  807   2HG2  ILE  44          2HG2      ILE  44   2.591   6.474  -1.710
  808   3HG2  ILE  44          3HG2      ILE  44   1.524   6.883  -0.366
  809   1HD1  ILE  44          1HD1      ILE  44  -0.819   6.902  -1.312
  810   2HD1  ILE  44          2HD1      ILE  44   0.220   7.719  -2.480
  811   3HD1  ILE  44          3HD1      ILE  44  -1.290   6.976  -3.009
  812    H    PHE  45           H        PHE  45   4.190   4.024  -1.225
  813    HA   PHE  45           HA       PHE  45   4.059   2.922   1.490
  814   1HB   PHE  45          1HB       PHE  45   6.119   2.136  -0.588
  815   2HB   PHE  45          2HB       PHE  45   6.138   1.647   1.102
  816    HD1  PHE  45           HD1      PHE  45   4.098   1.432  -1.994
  817    HD2  PHE  45           HD2      PHE  45   5.073  -0.299   1.769
  818    HE1  PHE  45           HE1      PHE  45   2.738  -0.541  -2.553
  819    HE2  PHE  45           HE2      PHE  45   3.718  -2.277   1.216
  820    HZ   PHE  45           HZ       PHE  45   2.548  -2.398  -0.948
  821    H    ALA  46           H        ALA  46   5.422   3.916   2.957
  822    HA   ALA  46           HA       ALA  46   7.490   5.716   1.979
  823   1HB   ALA  46          1HB       ALA  46   6.551   7.603   3.384
  824   2HB   ALA  46          2HB       ALA  46   5.044   6.688   3.429
  825   3HB   ALA  46          3HB       ALA  46   5.695   7.240   1.886
  826    H    GLY  47           H        GLY  47   9.158   5.930   3.369
  827   1HA   GLY  47          1HA       GLY  47  10.503   5.461   5.172
  828   2HA   GLY  47          2HA       GLY  47   9.356   4.197   5.593
  829    H    LYS  48           H        LYS  48  10.856   6.524   7.041
  830    HA   LYS  48           HA       LYS  48   8.708   8.079   8.144
  831   1HB   LYS  48          1HB       LYS  48   8.307   5.991   9.327
  832   2HB   LYS  48          2HB       LYS  48   9.987   5.940   9.847
  833   1HG   LYS  48          1HG       LYS  48   9.668   7.948  11.169
  834   2HG   LYS  48          2HG       LYS  48   8.000   8.075  10.604
  835   1HD   LYS  48          1HD       LYS  48   8.052   7.109  12.818
  836   2HD   LYS  48          2HD       LYS  48   7.503   5.907  11.650
  837   1HE   LYS  48          1HE       LYS  48   9.746   4.932  11.597
  838   2HE   LYS  48          2HE       LYS  48  10.298   6.133  12.762
  839   1HZ   LYS  48          1HZ       LYS  48   7.987   4.759  13.698
  840   2HZ   LYS  48          2HZ       LYS  48   9.231   3.672  13.331
  841   3HZ   LYS  48          3HZ       LYS  48   9.504   4.929  14.429
  842    H    GLN  49           H        GLN  49   9.611   9.965   8.224
  843    HA   GLN  49           HA       GLN  49  12.425  10.276   8.867
  844   1HB   GLN  49          1HB       GLN  49  10.262  12.070   7.852
  845   2HB   GLN  49          2HB       GLN  49  11.614  12.805   8.697
  846   1HG   GLN  49          1HG       GLN  49  11.868  11.017   6.296
  847   2HG   GLN  49          2HG       GLN  49  11.877  12.779   6.250
  848   1HE2  GLN  49          2HE2      GLN  49  13.850  10.310   5.959
  849   2HE2  GLN  49          1HE2      GLN  49  15.289  10.935   6.680
  850    H    LEU  50           H        LEU  50  13.024  10.336  10.924
  851    HA   LEU  50           HA       LEU  50  11.263  10.512  13.085
  852   1HB   LEU  50          1HB       LEU  50  14.231  11.059  13.009
  853   2HB   LEU  50          2HB       LEU  50  13.293  10.861  14.474
  854    HG   LEU  50           HG       LEU  50  14.419   8.808  14.090
  855   1HD1  LEU  50          1HD1      LEU  50  11.884   8.821  14.615
  856   2HD1  LEU  50          2HD1      LEU  50  11.718   8.175  12.983
  857   3HD1  LEU  50          3HD1      LEU  50  12.671   7.304  14.185
  858   1HD2  LEU  50          1HD2      LEU  50  14.423   9.471  11.455
  859   2HD2  LEU  50          2HD2      LEU  50  14.882   7.895  12.103
  860   3HD2  LEU  50          3HD2      LEU  50  13.249   8.156  11.489
  861    H    GLU  51           H        GLU  51   9.967  12.346  12.494
  862    HA   GLU  51           HA       GLU  51  10.930  14.968  12.268
  863   1HB   GLU  51          1HB       GLU  51   8.237  14.029  13.274
  864   2HB   GLU  51          2HB       GLU  51   8.615  15.662  12.741
  865   1HG   GLU  51          1HG       GLU  51   9.081  14.822  10.495
  866   2HG   GLU  51          2HG       GLU  51   8.702  13.186  11.030

  No H/Q in entry =         866
  Start of MODEL    6
    1    H1   GLY  -1           H1       GLY  -1   1.847  -8.348 -16.612
    2    H2   GLY  -1           H2       GLY  -1   2.037  -7.390 -17.994
    3    H3   GLY  -1           H3       GLY  -1   3.230  -8.512 -17.571
    4   1HA   GLY  -1          1HA       GLY  -1   3.224  -5.865 -16.928
    5   2HA   GLY  -1          2HA       GLY  -1   4.248  -7.101 -16.219
    6    H    SER   0           H        SER   0   4.340  -6.578 -14.130
    7    HA   SER   0           HA       SER   0   2.096  -7.017 -12.459
    8   1HB   SER   0          1HB       SER   0   4.786  -5.779 -11.825
    9   2HB   SER   0          2HB       SER   0   3.607  -6.313 -10.628
   10    HG   SER   0           HG       SER   0   5.461  -7.773 -11.530
   11    H    MET   1           H        MET   1   3.417  -4.467 -10.925
   12    HA   MET   1           HA       MET   1   2.075  -2.305 -12.259
   13   1HB   MET   1          1HB       MET   1   0.464  -1.833 -10.479
   14   2HB   MET   1          2HB       MET   1   0.163  -3.411 -11.196
   15   1HG   MET   1          1HG       MET   1   1.246  -4.498  -9.320
   16   2HG   MET   1          2HG       MET   1   1.629  -2.930  -8.611
   17   1HE   MET   1          1HE       MET   1   0.786  -3.736  -6.500
   18   2HE   MET   1          2HE       MET   1  -0.908  -3.840  -6.021
   19   3HE   MET   1          3HE       MET   1  -0.134  -5.207  -6.822
   20    H    GLN   2           H        GLN   2   3.222  -0.535 -11.881
   21    HA   GLN   2           HA       GLN   2   5.374  -0.473 -10.055
   22   1HB   GLN   2          1HB       GLN   2   4.057   1.911 -11.353
   23   2HB   GLN   2          2HB       GLN   2   5.712   1.786 -10.780
   24   1HG   GLN   2          1HG       GLN   2   6.217   0.175 -12.518
   25   2HG   GLN   2          2HG       GLN   2   4.547   0.243 -13.077
   26   1HE2  GLN   2          2HE2      GLN   2   5.173   3.284 -12.125
   27   2HE2  GLN   2          1HE2      GLN   2   5.736   3.961 -13.608
   28    H    ILE   3           H        ILE   3   5.119  -0.384  -7.904
   29    HA   ILE   3           HA       ILE   3   2.829   0.936  -6.729
   30    HB   ILE   3           HB       ILE   3   3.707   0.187  -4.575
   31   1HG1  ILE   3          1HG1      ILE   3   6.012  -0.986  -6.140
   32   2HG1  ILE   3          2HG1      ILE   3   6.117   0.441  -5.116
   33   1HG2  ILE   3          1HG2      ILE   3   3.735  -1.954  -6.693
   34   2HG2  ILE   3          2HG2      ILE   3   3.577  -2.239  -4.960
   35   3HG2  ILE   3          3HG2      ILE   3   2.324  -1.348  -5.825
   36   1HD1  ILE   3          1HD1      ILE   3   4.976  -1.573  -3.535
   37   2HD1  ILE   3          2HD1      ILE   3   6.323  -2.314  -4.402
   38   3HD1  ILE   3          3HD1      ILE   3   6.594  -0.879  -3.411
   39    H    PHE   4           H        PHE   4   2.827   2.891  -5.738
   40    HA   PHE   4           HA       PHE   4   5.191   4.542  -6.101
   41   1HB   PHE   4          1HB       PHE   4   2.391   5.212  -5.167
   42   2HB   PHE   4          2HB       PHE   4   3.684   6.394  -5.325
   43    HD1  PHE   4           HD1      PHE   4   3.345   7.759  -7.126
   44    HD2  PHE   4           HD2      PHE   4   2.433   3.619  -7.495
   45    HE1  PHE   4           HE1      PHE   4   2.749   8.105  -9.487
   46    HE2  PHE   4           HE2      PHE   4   1.838   3.957  -9.858
   47    HZ   PHE   4           HZ       PHE   4   1.996   6.201 -10.857
   48    H    VAL   5           H        VAL   5   6.520   5.207  -4.501
   49    HA   VAL   5           HA       VAL   5   5.686   4.952  -1.720
   50    HB   VAL   5           HB       VAL   5   8.119   3.513  -2.795
   51   1HG1  VAL   5          1HG1      VAL   5   5.446   2.573  -1.828
   52   2HG1  VAL   5          2HG1      VAL   5   6.335   2.109  -3.279
   53   3HG1  VAL   5          3HG1      VAL   5   6.869   1.539  -1.697
   54   1HG2  VAL   5          1HG2      VAL   5   8.421   4.609  -0.570
   55   2HG2  VAL   5          2HG2      VAL   5   7.110   3.599   0.042
   56   3HG2  VAL   5          3HG2      VAL   5   8.595   2.854  -0.550
   57    H    LYS   6           H        LYS   6   6.378   6.646  -0.604
   58    HA   LYS   6           HA       LYS   6   8.279   8.478  -1.780
   59   1HB   LYS   6          1HB       LYS   6   6.765   8.570   0.838
   60   2HB   LYS   6          2HB       LYS   6   7.762   9.873   0.210
   61   1HG   LYS   6          1HG       LYS   6   6.295  10.225  -1.626
   62   2HG   LYS   6          2HG       LYS   6   5.394   8.753  -1.263
   63   1HD   LYS   6          1HD       LYS   6   4.191  10.772  -0.548
   64   2HD   LYS   6          2HD       LYS   6   4.591   9.723   0.812
   65   1HE   LYS   6          1HE       LYS   6   6.514  11.141   1.339
   66   2HE   LYS   6          2HE       LYS   6   6.105  12.192  -0.015
   67   1HZ   LYS   6          1HZ       LYS   6   3.816  11.960   1.529
   68   2HZ   LYS   6          2HZ       LYS   6   5.088  12.229   2.613
   69   3HZ   LYS   6          3HZ       LYS   6   4.806  13.321   1.353
   70    H    THR   7           H        THR   7  10.405   8.215  -1.520
   71    HA   THR   7           HA       THR   7  11.522   6.429   0.377
   72    HB   THR   7           HB       THR   7  13.715   7.337  -0.328
   73    HG1  THR   7           HG1      THR   7  13.742   9.297  -1.101
   74   1HG2  THR   7          1HG2      THR   7  12.628   5.571  -1.642
   75   2HG2  THR   7          2HG2      THR   7  11.833   6.798  -2.628
   76   3HG2  THR   7          3HG2      THR   7  13.590   6.641  -2.663
   77    H    LEU   8           H        LEU   8  13.791   7.897   1.245
   78    HA   LEU   8           HA       LEU   8  12.643   9.167   3.567
   79   1HB   LEU   8          1HB       LEU   8  15.523   8.727   2.782
   80   2HB   LEU   8          2HB       LEU   8  14.976   9.305   4.345
   81    HG   LEU   8           HG       LEU   8  13.603   6.874   3.844
   82   1HD1  LEU   8          1HD1      LEU   8  15.749   7.792   5.725
   83   2HD1  LEU   8          2HD1      LEU   8  14.048   7.462   6.051
   84   3HD1  LEU   8          3HD1      LEU   8  15.162   6.130   5.748
   85   1HD2  LEU   8          1HD2      LEU   8  15.600   6.659   2.189
   86   2HD2  LEU   8          2HD2      LEU   8  16.538   6.372   3.654
   87   3HD2  LEU   8          3HD2      LEU   8  15.190   5.313   3.253
   88    H    THR   9           H        THR   9  14.709  10.111   0.846
   89    HA   THR   9           HA       THR   9  14.930  12.839   1.664
   90    HB   THR   9           HB       THR   9  16.664  11.904   0.271
   91    HG1  THR   9           HG1      THR   9  15.810  14.187  -0.045
   92   1HG2  THR   9          1HG2      THR   9  14.936  10.390  -0.959
   93   2HG2  THR   9          2HG2      THR   9  14.817  11.749  -2.080
   94   3HG2  THR   9          3HG2      THR   9  16.369  10.951  -1.821
   95    H    GLY  10           H        GLY  10  12.945  11.135  -0.754
   96   1HA   GLY  10          1HA       GLY  10  11.561  13.600  -1.440
   97   2HA   GLY  10          2HA       GLY  10  10.613  12.434  -0.531
   98    H    LYS  11           H        LYS  11  13.025  11.773  -3.035
   99    HA   LYS  11           HA       LYS  11  11.402  11.502  -5.244
  100   1HB   LYS  11          1HB       LYS  11  13.112   9.977  -6.145
  101   2HB   LYS  11          2HB       LYS  11  13.827  11.394  -5.387
  102   1HG   LYS  11          1HG       LYS  11  14.420  10.122  -3.437
  103   2HG   LYS  11          2HG       LYS  11  13.563   8.707  -4.053
  104   1HD   LYS  11          1HD       LYS  11  15.117   8.575  -5.933
  105   2HD   LYS  11          2HD       LYS  11  15.968  10.003  -5.338
  106   1HE   LYS  11          1HE       LYS  11  16.565   8.808  -3.298
  107   2HE   LYS  11          2HE       LYS  11  15.688   7.388  -3.861
  108   1HZ   LYS  11          1HZ       LYS  11  17.392   7.941  -5.903
  109   2HZ   LYS  11          2HZ       LYS  11  18.324   8.286  -4.535
  110   3HZ   LYS  11          3HZ       LYS  11  17.624   6.756  -4.720
  111    H    THR  12           H        THR  12  10.008  10.027  -6.026
  112    HA   THR  12           HA       THR  12   9.054   7.965  -4.248
  113    HB   THR  12           HB       THR  12   7.451   7.486  -6.141
  114    HG1  THR  12           HG1      THR  12   9.062   9.430  -7.310
  115   1HG2  THR  12          1HG2      THR  12   7.494   9.559  -4.260
  116   2HG2  THR  12          2HG2      THR  12   6.919  10.287  -5.761
  117   3HG2  THR  12          3HG2      THR  12   6.086   8.887  -5.083
  118    H    ILE  13           H        ILE  13   9.253   5.794  -4.469
  119    HA   ILE  13           HA       ILE  13  11.202   4.849  -6.432
  120    HB   ILE  13           HB       ILE  13  10.405   2.703  -4.801
  121   1HG1  ILE  13          1HG1      ILE  13  10.956   5.200  -3.185
  122   2HG1  ILE  13          2HG1      ILE  13   9.441   4.303  -3.225
  123   1HG2  ILE  13          1HG2      ILE  13  12.841   4.387  -5.110
  124   2HG2  ILE  13          2HG2      ILE  13  12.775   3.159  -3.843
  125   3HG2  ILE  13          3HG2      ILE  13  12.572   2.692  -5.531
  126   1HD1  ILE  13          1HD1      ILE  13  11.363   2.416  -2.557
  127   2HD1  ILE  13          2HD1      ILE  13  11.794   3.858  -1.638
  128   3HD1  ILE  13          3HD1      ILE  13  10.181   3.164  -1.482
  129    H    THR  14           H        THR  14  10.651   3.645  -8.112
  130    HA   THR  14           HA       THR  14   7.849   2.836  -8.371
  131    HB   THR  14           HB       THR  14   9.748   2.441 -10.629
  132    HG1  THR  14           HG1      THR  14   9.749   4.642 -11.120
  133   1HG2  THR  14          1HG2      THR  14   6.898   2.871 -10.161
  134   2HG2  THR  14          2HG2      THR  14   7.541   3.839 -11.489
  135   3HG2  THR  14          3HG2      THR  14   7.716   2.084 -11.512
  136    H    LEU  15           H        LEU  15   7.254   0.684  -8.502
  137    HA   LEU  15           HA       LEU  15   9.197  -1.380  -8.966
  138   1HB   LEU  15          1HB       LEU  15   9.900  -1.284  -6.807
  139   2HB   LEU  15          2HB       LEU  15   8.401  -0.598  -6.229
  140    HG   LEU  15           HG       LEU  15   7.353  -2.807  -6.265
  141   1HD1  LEU  15          1HD1      LEU  15   9.896  -2.400  -4.758
  142   2HD1  LEU  15          2HD1      LEU  15   8.229  -2.361  -4.180
  143   3HD1  LEU  15          3HD1      LEU  15   8.990  -3.902  -4.578
  144   1HD2  LEU  15          1HD2      LEU  15   9.890  -3.563  -7.595
  145   2HD2  LEU  15          2HD2      LEU  15   9.138  -4.730  -6.508
  146   3HD2  LEU  15          3HD2      LEU  15   8.242  -4.112  -7.894
  147    H    GLU  16           H        GLU  16   8.126  -2.738 -10.207
  148    HA   GLU  16           HA       GLU  16   5.255  -3.024 -10.015
  149   1HB   GLU  16          1HB       GLU  16   5.482  -4.421 -12.022
  150   2HB   GLU  16          2HB       GLU  16   6.290  -2.872 -12.216
  151   1HG   GLU  16          1HG       GLU  16   8.440  -3.940 -11.740
  152   2HG   GLU  16          2HG       GLU  16   7.622  -5.494 -11.573
  153    H    VAL  17           H        VAL  17   4.164  -4.675  -9.147
  154    HA   VAL  17           HA       VAL  17   5.358  -7.260  -8.698
  155    HB   VAL  17           HB       VAL  17   4.750  -7.247  -6.236
  156   1HG1  VAL  17          1HG1      VAL  17   7.037  -5.515  -7.162
  157   2HG1  VAL  17          2HG1      VAL  17   6.875  -6.199  -5.546
  158   3HG1  VAL  17          3HG1      VAL  17   7.061  -7.264  -6.939
  159   1HG2  VAL  17          1HG2      VAL  17   4.079  -4.524  -6.933
  160   2HG2  VAL  17          2HG2      VAL  17   3.679  -5.450  -5.487
  161   3HG2  VAL  17          3HG2      VAL  17   5.218  -4.594  -5.588
  162    H    GLU  18           H        GLU  18   3.850  -8.852  -8.554
  163    HA   GLU  18           HA       GLU  18   1.248  -8.355  -9.454
  164   1HB   GLU  18          1HB       GLU  18   2.254 -10.801  -7.993
  165   2HB   GLU  18          2HB       GLU  18   0.830 -10.714  -9.018
  166   1HG   GLU  18          1HG       GLU  18   2.246 -10.217 -10.943
  167   2HG   GLU  18          2HG       GLU  18   3.672 -10.309  -9.913
  168    HA   PRO  19           HA       PRO  19  -1.020  -7.168  -5.845
  169   1HB   PRO  19          1HB       PRO  19  -3.446  -8.250  -6.476
  170   2HB   PRO  19          2HB       PRO  19  -2.831  -6.755  -7.179
  171   1HG   PRO  19          1HG       PRO  19  -2.786  -9.519  -8.305
  172   2HG   PRO  19          2HG       PRO  19  -3.210  -7.996  -9.103
  173   1HD   PRO  19          1HD       PRO  19  -0.804  -9.105  -9.437
  174   2HD   PRO  19          2HD       PRO  19  -0.984  -7.347  -9.311
  175    H    SER  20           H        SER  20  -1.337 -10.499  -6.991
  176    HA   SER  20           HA       SER  20  -2.395 -11.603  -4.631
  177   1HB   SER  20          1HB       SER  20  -0.701 -12.919  -6.769
  178   2HB   SER  20          2HB       SER  20  -1.654 -13.772  -5.558
  179    HG   SER  20           HG       SER  20  -2.752 -13.573  -7.563
  180    H    ASP  21           H        ASP  21   0.772 -10.594  -5.506
  181    HA   ASP  21           HA       ASP  21   2.325 -12.191  -3.794
  182   1HB   ASP  21          1HB       ASP  21   3.241 -10.729  -5.594
  183   2HB   ASP  21          2HB       ASP  21   2.850  -9.323  -4.610
  184    H    THR  22           H        THR  22   2.765 -12.102  -1.655
  185    HA   THR  22           HA       THR  22   1.021 -10.768   0.091
  186    HB   THR  22           HB       THR  22   2.555 -11.470   1.901
  187    HG1  THR  22           HG1      THR  22   4.319 -11.550  -0.139
  188   1HG2  THR  22          1HG2      THR  22   0.893 -13.011   0.624
  189   2HG2  THR  22          2HG2      THR  22   2.356 -13.774   0.000
  190   3HG2  THR  22          3HG2      THR  22   2.058 -13.729   1.738
  191    H    ILE  23           H        ILE  23   1.204  -8.952   1.327
  192    HA   ILE  23           HA       ILE  23   2.546  -6.744   0.331
  193    HB   ILE  23           HB       ILE  23   1.668  -7.170   3.191
  194   1HG1  ILE  23          1HG1      ILE  23   0.197  -5.982   0.826
  195   2HG1  ILE  23          2HG1      ILE  23  -0.161  -7.524   1.592
  196   1HG2  ILE  23          1HG2      ILE  23   3.258  -5.199   2.422
  197   2HG2  ILE  23          2HG2      ILE  23   1.727  -4.498   1.899
  198   3HG2  ILE  23          3HG2      ILE  23   1.961  -4.946   3.589
  199   1HD1  ILE  23          1HD1      ILE  23  -0.257  -4.956   3.128
  200   2HD1  ILE  23          2HD1      ILE  23  -1.631  -5.535   2.184
  201   3HD1  ILE  23          3HD1      ILE  23  -1.003  -6.509   3.513
  202    H    GLU  24           H        GLU  24   3.530  -8.982   2.889
  203    HA   GLU  24           HA       GLU  24   5.763  -7.638   3.842
  204   1HB   GLU  24          1HB       GLU  24   6.588  -9.853   4.556
  205   2HB   GLU  24          2HB       GLU  24   4.894  -9.611   4.948
  206   1HG   GLU  24          1HG       GLU  24   4.239 -10.960   3.035
  207   2HG   GLU  24          2HG       GLU  24   5.932 -11.178   2.597
  208    H    ASN  25           H        ASN  25   5.463  -9.763   1.029
  209    HA   ASN  25           HA       ASN  25   8.221  -9.880   0.435
  210   1HB   ASN  25          1HB       ASN  25   5.806 -10.274  -1.334
  211   2HB   ASN  25          2HB       ASN  25   7.459 -10.608  -1.836
  212   1HD2  ASN  25          2HD2      ASN  25   7.372 -11.294   1.361
  213   2HD2  ASN  25          1HD2      ASN  25   7.003 -12.977   1.290
  214    H    VAL  26           H        VAL  26   5.631  -7.835  -0.965
  215    HA   VAL  26           HA       VAL  26   7.301  -6.443  -2.733
  216    HB   VAL  26           HB       VAL  26   5.593  -4.790  -2.959
  217   1HG1  VAL  26          1HG1      VAL  26   5.198  -7.381  -3.496
  218   2HG1  VAL  26          2HG1      VAL  26   3.829  -7.093  -2.421
  219   3HG1  VAL  26          3HG1      VAL  26   4.024  -6.122  -3.882
  220   1HG2  VAL  26          1HG2      VAL  26   5.203  -4.371  -0.572
  221   2HG2  VAL  26          2HG2      VAL  26   3.704  -4.564  -1.479
  222   3HG2  VAL  26          3HG2      VAL  26   4.300  -5.882  -0.470
  223    H    LYS  27           H        LYS  27   6.474  -5.803   0.641
  224    HA   LYS  27           HA       LYS  27   7.713  -3.278   0.845
  225   1HB   LYS  27          1HB       LYS  27   7.260  -5.369   2.983
  226   2HB   LYS  27          2HB       LYS  27   7.685  -3.691   3.280
  227   1HG   LYS  27          1HG       LYS  27   5.598  -2.943   2.346
  228   2HG   LYS  27          2HG       LYS  27   5.180  -4.594   1.880
  229   1HD   LYS  27          1HD       LYS  27   3.992  -4.068   3.890
  230   2HD   LYS  27          2HD       LYS  27   5.263  -5.221   4.294
  231   1HE   LYS  27          1HE       LYS  27   5.169  -3.488   5.974
  232   2HE   LYS  27          2HE       LYS  27   6.676  -3.359   5.066
  233   1HZ   LYS  27          1HZ       LYS  27   4.279  -1.750   4.408
  234   2HZ   LYS  27          2HZ       LYS  27   5.456  -1.221   5.503
  235   3HZ   LYS  27          3HZ       LYS  27   5.871  -1.509   3.889
  236    H    ALA  28           H        ALA  28   8.896  -6.559   1.448
  237    HA   ALA  28           HA       ALA  28  11.411  -5.920   2.468
  238   1HB   ALA  28          1HB       ALA  28  11.843  -8.251   1.080
  239   2HB   ALA  28          2HB       ALA  28  11.223  -8.131   2.726
  240   3HB   ALA  28          3HB       ALA  28  10.104  -8.281   1.371
  241    H    LYS  29           H        LYS  29  10.340  -6.353  -0.876
  242    HA   LYS  29           HA       LYS  29  12.868  -6.139  -2.090
  243   1HB   LYS  29          1HB       LYS  29  10.883  -7.012  -3.251
  244   2HB   LYS  29          2HB       LYS  29  10.149  -5.416  -3.206
  245   1HG   LYS  29          1HG       LYS  29  11.848  -4.535  -4.658
  246   2HG   LYS  29          2HG       LYS  29  12.726  -6.065  -4.616
  247   1HD   LYS  29          1HD       LYS  29   9.948  -5.673  -5.723
  248   2HD   LYS  29          2HD       LYS  29  11.421  -5.802  -6.683
  249   1HE   LYS  29          1HE       LYS  29  11.794  -8.056  -5.816
  250   2HE   LYS  29          2HE       LYS  29  10.325  -7.929  -4.848
  251   1HZ   LYS  29          1HZ       LYS  29   9.087  -7.624  -6.954
  252   2HZ   LYS  29          2HZ       LYS  29  10.510  -7.939  -7.809
  253   3HZ   LYS  29          3HZ       LYS  29   9.831  -9.136  -6.827
  254    H    ILE  30           H        ILE  30  10.519  -3.710  -1.082
  255    HA   ILE  30           HA       ILE  30  11.580  -1.484  -2.376
  256    HB   ILE  30           HB       ILE  30  10.387  -1.533   0.400
  257   1HG1  ILE  30          1HG1      ILE  30   9.053  -1.109  -2.285
  258   2HG1  ILE  30          2HG1      ILE  30   8.916  -2.561  -1.302
  259   1HG2  ILE  30          1HG2      ILE  30  11.109   0.640  -1.511
  260   2HG2  ILE  30          2HG2      ILE  30   9.694   0.845  -0.478
  261   3HG2  ILE  30          3HG2      ILE  30  11.279   0.577   0.244
  262   1HD1  ILE  30          1HD1      ILE  30   8.051  -0.885   0.509
  263   2HD1  ILE  30          2HD1      ILE  30   7.707   0.121  -0.898
  264   3HD1  ILE  30          3HD1      ILE  30   6.981  -1.481  -0.761
  265    H    GLN  31           H        GLN  31  12.579  -3.125   0.573
  266    HA   GLN  31           HA       GLN  31  14.442  -1.256   1.514
  267   1HB   GLN  31          1HB       GLN  31  14.582  -4.277   1.693
  268   2HB   GLN  31          2HB       GLN  31  15.472  -3.143   2.700
  269   1HG   GLN  31          1HG       GLN  31  13.377  -2.330   3.646
  270   2HG   GLN  31          2HG       GLN  31  12.479  -3.453   2.628
  271   1HE2  GLN  31          2HE2      GLN  31  11.845  -5.208   3.637
  272   2HE2  GLN  31          1HE2      GLN  31  12.654  -5.986   4.948
  273    H    ASP  32           H        ASP  32  14.629  -3.856  -0.836
  274    HA   ASP  32           HA       ASP  32  17.388  -3.705  -1.352
  275   1HB   ASP  32          1HB       ASP  32  15.954  -5.612  -2.033
  276   2HB   ASP  32          2HB       ASP  32  15.180  -4.576  -3.228
  277    H    LYS  33           H        LYS  33  14.579  -2.072  -2.704
  278    HA   LYS  33           HA       LYS  33  15.841  -0.735  -4.823
  279   1HB   LYS  33          1HB       LYS  33  13.406  -0.023  -3.187
  280   2HB   LYS  33          2HB       LYS  33  13.921   0.899  -4.592
  281   1HG   LYS  33          1HG       LYS  33  13.148  -2.008  -4.594
  282   2HG   LYS  33          2HG       LYS  33  12.136  -0.666  -5.128
  283   1HD   LYS  33          1HD       LYS  33  14.827  -1.257  -6.336
  284   2HD   LYS  33          2HD       LYS  33  13.331  -1.963  -6.945
  285   1HE   LYS  33          1HE       LYS  33  13.839  -0.038  -8.269
  286   2HE   LYS  33          2HE       LYS  33  12.443   0.339  -7.262
  287   1HZ   LYS  33          1HZ       LYS  33  15.184   1.073  -6.438
  288   2HZ   LYS  33          2HZ       LYS  33  14.262   2.077  -7.442
  289   3HZ   LYS  33          3HZ       LYS  33  13.714   1.702  -5.886
  290    H    GLU  34           H        GLU  34  15.414   0.119  -1.427
  291    HA   GLU  34           HA       GLU  34  17.411   2.246  -1.794
  292   1HB   GLU  34          1HB       GLU  34  15.097   3.191  -1.583
  293   2HB   GLU  34          2HB       GLU  34  14.998   2.468   0.017
  294   1HG   GLU  34          1HG       GLU  34  15.552   4.784   0.233
  295   2HG   GLU  34          2HG       GLU  34  16.943   3.813   0.711
  296    H    GLY  35           H        GLY  35  15.719   1.463   1.195
  297   1HA   GLY  35          1HA       GLY  35  18.256   0.902   2.470
  298   2HA   GLY  35          2HA       GLY  35  17.191  -0.486   2.342
  299    H    ILE  36           H        ILE  36  14.723   0.677   2.822
  300    HA   ILE  36           HA       ILE  36  15.046   1.609   5.588
  301    HB   ILE  36           HB       ILE  36  12.537   2.454   4.928
  302   1HG1  ILE  36          1HG1      ILE  36  12.836   3.771   2.815
  303   2HG1  ILE  36          2HG1      ILE  36  14.328   2.888   2.527
  304   1HG2  ILE  36          1HG2      ILE  36  15.148   3.645   5.401
  305   2HG2  ILE  36          2HG2      ILE  36  14.072   4.678   4.459
  306   3HG2  ILE  36          3HG2      ILE  36  13.562   4.084   6.040
  307   1HD1  ILE  36          1HD1      ILE  36  12.088   1.121   3.009
  308   2HD1  ILE  36          2HD1      ILE  36  11.822   2.202   1.641
  309   3HD1  ILE  36          3HD1      ILE  36  13.242   1.156   1.676
  310    HA   PRO  37           HA       PRO  37  13.105  -2.170   6.896
  311   1HB   PRO  37          1HB       PRO  37  12.014  -0.186   8.860
  312   2HB   PRO  37          2HB       PRO  37  12.651  -1.810   9.154
  313   1HG   PRO  37          1HG       PRO  37  14.156   0.315   9.645
  314   2HG   PRO  37          2HG       PRO  37  14.863  -1.119   8.882
  315   1HD   PRO  37          1HD       PRO  37  14.180   1.515   7.690
  316   2HD   PRO  37          2HD       PRO  37  15.453   0.367   7.240
  317    HA   PRO  38           HA       PRO  38   9.089  -1.860   4.996
  318   1HB   PRO  38          1HB       PRO  38   7.982  -4.113   6.118
  319   2HB   PRO  38          2HB       PRO  38   9.064  -4.131   4.724
  320   1HG   PRO  38          1HG       PRO  38   9.676  -4.643   7.607
  321   2HG   PRO  38          2HG       PRO  38  10.261  -5.499   6.170
  322   1HD   PRO  38          1HD       PRO  38  11.787  -3.702   7.454
  323   2HD   PRO  38          2HD       PRO  38  11.839  -3.873   5.688
  324    H    ASP  39           H        ASP  39   9.419  -2.418   8.471
  325    HA   ASP  39           HA       ASP  39   6.798  -1.917   9.268
  326   1HB   ASP  39          1HB       ASP  39   9.368  -1.276  10.735
  327   2HB   ASP  39          2HB       ASP  39   7.769  -1.333  11.468
  328    H    GLN  40           H        GLN  40   9.459   0.275   8.570
  329    HA   GLN  40           HA       GLN  40   8.256   2.646   9.475
  330   1HB   GLN  40          1HB       GLN  40  10.302   2.208   7.294
  331   2HB   GLN  40          2HB       GLN  40   9.891   3.774   7.980
  332   1HG   GLN  40          1HG       GLN  40  10.840   3.243  10.050
  333   2HG   GLN  40          2HG       GLN  40  10.884   1.520   9.684
  334   1HE2  GLN  40          2HE2      GLN  40  11.765   2.794   6.886
  335   2HE2  GLN  40          1HE2      GLN  40  13.478   2.886   7.084
  336    H    GLN  41           H        GLN  41   8.193   0.970   6.384
  337    HA   GLN  41           HA       GLN  41   6.985   2.852   4.762
  338   1HB   GLN  41          1HB       GLN  41   6.295  -0.081   4.693
  339   2HB   GLN  41          2HB       GLN  41   6.340   1.050   3.348
  340   1HG   GLN  41          1HG       GLN  41   8.731   0.115   4.918
  341   2HG   GLN  41          2HG       GLN  41   8.232  -0.503   3.344
  342   1HE2  GLN  41          2HE2      GLN  41   9.340   0.276   1.735
  343   2HE2  GLN  41          1HE2      GLN  41  10.049   1.847   1.639
  344    H    ARG  42           H        ARG  42   4.984   3.699   4.586
  345    HA   ARG  42           HA       ARG  42   2.938   2.675   6.396
  346   1HB   ARG  42          1HB       ARG  42   3.602   4.989   6.820
  347   2HB   ARG  42          2HB       ARG  42   3.204   5.413   5.161
  348   1HG   ARG  42          1HG       ARG  42   1.456   6.129   6.672
  349   2HG   ARG  42          2HG       ARG  42   0.857   4.874   5.588
  350   1HD   ARG  42          1HD       ARG  42   0.076   4.504   7.866
  351   2HD   ARG  42          2HD       ARG  42   1.150   3.206   7.346
  352    HE   ARG  42           HE       ARG  42   2.676   5.138   8.675
  353   1HH1  ARG  42          1HH1      ARG  42   0.192   2.789   9.353
  354   2HH1  ARG  42          2HH1      ARG  42   0.693   2.543  10.992
  355   1HH2  ARG  42          1HH2      ARG  42   3.341   4.821  10.831
  356   2HH2  ARG  42          2HH2      ARG  42   2.482   3.699  11.833
  357    H    LEU  43           H        LEU  43   1.307   1.572   5.523
  358    HA   LEU  43           HA       LEU  43   0.932   1.361   2.722
  359   1HB   LEU  43          1HB       LEU  43  -0.588   0.413   5.117
  360   2HB   LEU  43          2HB       LEU  43  -1.322   0.296   3.530
  361    HG   LEU  43           HG       LEU  43   0.552  -1.091   2.764
  362   1HD1  LEU  43          1HD1      LEU  43   1.522  -0.767   5.595
  363   2HD1  LEU  43          2HD1      LEU  43   2.120  -1.997   4.480
  364   3HD1  LEU  43          3HD1      LEU  43   2.350  -0.286   4.114
  365   1HD2  LEU  43          1HD2      LEU  43  -0.813  -2.043   5.271
  366   2HD2  LEU  43          2HD2      LEU  43  -1.388  -2.216   3.612
  367   3HD2  LEU  43          3HD2      LEU  43   0.053  -3.084   4.142
  368    H    ILE  44           H        ILE  44  -0.193   2.566   1.361
  369    HA   ILE  44           HA       ILE  44  -2.433   4.164   2.332
  370    HB   ILE  44           HB       ILE  44  -0.141   5.359   0.775
  371   1HG1  ILE  44          1HG1      ILE  44  -1.136   5.942   3.573
  372   2HG1  ILE  44          2HG1      ILE  44   0.313   5.019   3.188
  373   1HG2  ILE  44          1HG2      ILE  44  -2.323   6.226   0.073
  374   2HG2  ILE  44          2HG2      ILE  44  -2.696   6.631   1.749
  375   3HG2  ILE  44          3HG2      ILE  44  -1.376   7.453   0.916
  376   1HD1  ILE  44          1HD1      ILE  44   0.272   7.626   1.919
  377   2HD1  ILE  44          2HD1      ILE  44   0.193   7.706   3.679
  378   3HD1  ILE  44          3HD1      ILE  44   1.522   6.851   2.893
  379    H    PHE  45           H        PHE  45  -4.102   3.897   1.020
  380    HA   PHE  45           HA       PHE  45  -3.593   3.282  -1.815
  381   1HB   PHE  45          1HB       PHE  45  -5.726   2.157   0.010
  382   2HB   PHE  45          2HB       PHE  45  -5.739   1.961  -1.739
  383    HD1  PHE  45           HD1      PHE  45  -5.066  -0.091  -2.461
  384    HD2  PHE  45           HD2      PHE  45  -3.236   1.544   1.017
  385    HE1  PHE  45           HE1      PHE  45  -3.681  -2.112  -2.244
  386    HE2  PHE  45           HE2      PHE  45  -1.845  -0.472   1.236
  387    HZ   PHE  45           HZ       PHE  45  -2.066  -2.304  -0.395
  388    H    ALA  46           H        ALA  46  -5.047   4.171  -3.353
  389    HA   ALA  46           HA       ALA  46  -7.101   5.994  -2.364
  390   1HB   ALA  46          1HB       ALA  46  -5.666   7.720  -2.430
  391   2HB   ALA  46          2HB       ALA  46  -4.534   6.875  -3.486
  392   3HB   ALA  46          3HB       ALA  46  -5.960   7.655  -4.167
  393    H    GLY  47           H        GLY  47  -8.835   6.013  -3.629
  394   1HA   GLY  47          1HA       GLY  47 -10.166   5.022  -5.301
  395   2HA   GLY  47          2HA       GLY  47  -8.707   4.598  -6.182
  396    H    LYS  48           H        LYS  48  -9.065   5.493  -8.133
  397    HA   LYS  48           HA       LYS  48 -10.286   8.055  -8.476
  398   1HB   LYS  48          1HB       LYS  48  -8.350   9.191  -9.493
  399   2HB   LYS  48          2HB       LYS  48  -8.109   8.866  -7.785
  400   1HG   LYS  48          1HG       LYS  48  -7.013   7.084  -9.940
  401   2HG   LYS  48          2HG       LYS  48  -6.134   8.473  -9.301
  402   1HD   LYS  48          1HD       LYS  48  -7.149   6.164  -7.649
  403   2HD   LYS  48          2HD       LYS  48  -5.493   6.342  -8.225
  404   1HE   LYS  48          1HE       LYS  48  -6.946   8.237  -6.386
  405   2HE   LYS  48          2HE       LYS  48  -5.703   7.083  -5.911
  406   1HZ   LYS  48          1HZ       LYS  48  -4.306   8.342  -7.674
  407   2HZ   LYS  48          2HZ       LYS  48  -5.428   9.584  -7.428
  408   3HZ   LYS  48          3HZ       LYS  48  -4.506   9.009  -6.133
  409    H    GLN  49           H        GLN  49 -11.542   6.464  -9.617
  410    HA   GLN  49           HA       GLN  49 -10.537   5.288 -12.002
  411   1HB   GLN  49          1HB       GLN  49 -12.497   4.333 -10.988
  412   2HB   GLN  49          2HB       GLN  49 -13.339   5.874 -11.036
  413   1HG   GLN  49          1HG       GLN  49 -14.189   4.428 -12.750
  414   2HG   GLN  49          2HG       GLN  49 -13.332   5.785 -13.480
  415   1HE2  GLN  49          2HE2      GLN  49 -13.817   2.571 -13.713
  416   2HE2  GLN  49          1HE2      GLN  49 -12.356   2.102 -14.504
  417    H    LEU  50           H        LEU  50  -9.698   6.596 -13.482
  418    HA   LEU  50           HA       LEU  50 -10.080   9.245 -13.928
  419   1HB   LEU  50          1HB       LEU  50  -9.437   7.049 -15.878
  420   2HB   LEU  50          2HB       LEU  50  -9.466   8.730 -16.362
  421    HG   LEU  50           HG       LEU  50  -7.186   7.926 -15.879
  422   1HD1  LEU  50          1HD1      LEU  50  -8.308   7.465 -13.127
  423   2HD1  LEU  50          2HD1      LEU  50  -7.510   6.303 -14.190
  424   3HD1  LEU  50          3HD1      LEU  50  -6.582   7.612 -13.460
  425   1HD2  LEU  50          1HD2      LEU  50  -8.359  10.293 -15.059
  426   2HD2  LEU  50          2HD2      LEU  50  -7.419   9.765 -13.665
  427   3HD2  LEU  50          3HD2      LEU  50  -6.633   9.973 -15.228
  428    H    GLU  51           H        GLU  51 -12.340   9.621 -13.523
  429    HA   GLU  51           HA       GLU  51 -14.417   8.665 -15.161
  430   1HB   GLU  51          1HB       GLU  51 -14.247  11.270 -13.633
  431   2HB   GLU  51          2HB       GLU  51 -15.721  10.576 -14.290
  432   1HG   GLU  51          1HG       GLU  51 -15.462   8.638 -12.827
  433   2HG   GLU  51          2HG       GLU  51 -13.984   9.334 -12.170
  434    H1   GLY  -1           H1       GLY  -1  -1.935  -8.211  16.715
  435    H2   GLY  -1           H2       GLY  -1  -2.143  -7.240  18.086
  436    H3   GLY  -1           H3       GLY  -1  -3.309  -8.397  17.684
  437   1HA   GLY  -1          1HA       GLY  -1  -3.389  -5.764  17.014
  438   2HA   GLY  -1          2HA       GLY  -1  -4.361  -7.038  16.299
  439    H    SER   0           H        SER   0  -4.450  -6.538  14.205
  440    HA   SER   0           HA       SER   0  -2.169  -6.891  12.563
  441   1HB   SER   0          1HB       SER   0  -4.901  -5.775  11.883
  442   2HB   SER   0          2HB       SER   0  -3.686  -6.278  10.708
  443    HG   SER   0           HG       SER   0  -5.495  -7.797  11.603
  444    H    MET   1           H        MET   1  -3.606  -4.413  11.008
  445    HA   MET   1           HA       MET   1  -2.424  -2.166  12.330
  446   1HB   MET   1          1HB       MET   1  -0.752  -1.647  10.611
  447   2HB   MET   1          2HB       MET   1  -0.398  -3.180  11.396
  448   1HG   MET   1          1HG       MET   1  -1.313  -4.392   9.510
  449   2HG   MET   1          2HG       MET   1  -1.759  -2.877   8.729
  450   1HE   MET   1          1HE       MET   1  -0.776  -3.611   6.673
  451   2HE   MET   1          2HE       MET   1   0.945  -3.674   6.281
  452   3HE   MET   1          3HE       MET   1   0.167  -5.050   7.065
  453    H    GLN   2           H        GLN   2  -3.913  -0.650  11.955
  454    HA   GLN   2           HA       GLN   2  -5.756  -0.763   9.827
  455   1HB   GLN   2          1HB       GLN   2  -6.407   1.522  10.567
  456   2HB   GLN   2          2HB       GLN   2  -6.367   0.346  11.871
  457   1HG   GLN   2          1HG       GLN   2  -4.113   1.201  12.476
  458   2HG   GLN   2          2HG       GLN   2  -4.328   2.466  11.264
  459   1HE2  GLN   2          2HE2      GLN   2  -4.946   4.320  12.089
  460   2HE2  GLN   2          1HE2      GLN   2  -5.953   4.541  13.473
  461    H    ILE   3           H        ILE   3  -5.239  -0.507   7.789
  462    HA   ILE   3           HA       ILE   3  -2.983   1.012   6.908
  463    HB   ILE   3           HB       ILE   3  -3.723   0.393   4.644
  464   1HG1  ILE   3          1HG1      ILE   3  -6.050  -0.936   6.040
  465   2HG1  ILE   3          2HG1      ILE   3  -6.156   0.516   5.052
  466   1HG2  ILE   3          1HG2      ILE   3  -3.701  -1.831   6.669
  467   2HG2  ILE   3          2HG2      ILE   3  -3.559  -2.072   4.927
  468   3HG2  ILE   3          3HG2      ILE   3  -2.323  -1.162   5.796
  469   1HD1  ILE   3          1HD1      ILE   3  -4.863  -1.426   3.487
  470   2HD1  ILE   3          2HD1      ILE   3  -6.246  -2.213   4.250
  471   3HD1  ILE   3          3HD1      ILE   3  -6.484  -0.758   3.282
  472    H    PHE   4           H        PHE   4  -2.949   2.968   5.873
  473    HA   PHE   4           HA       PHE   4  -5.300   4.636   6.222
  474   1HB   PHE   4          1HB       PHE   4  -2.484   5.285   5.314
  475   2HB   PHE   4          2HB       PHE   4  -3.766   6.478   5.472
  476    HD1  PHE   4           HD1      PHE   4  -3.443   7.830   7.277
  477    HD2  PHE   4           HD2      PHE   4  -2.527   3.689   7.636
  478    HE1  PHE   4           HE1      PHE   4  -2.842   8.172   9.637
  479    HE2  PHE   4           HE2      PHE   4  -1.927   4.023   9.999
  480    HZ   PHE   4           HZ       PHE   4  -2.084   6.268  11.002
  481    H    VAL   5           H        VAL   5  -6.627   5.260   4.587
  482    HA   VAL   5           HA       VAL   5  -5.725   5.056   1.818
  483    HB   VAL   5           HB       VAL   5  -8.136   3.547   2.847
  484   1HG1  VAL   5          1HG1      VAL   5  -5.439   2.690   1.872
  485   2HG1  VAL   5          2HG1      VAL   5  -6.313   2.191   3.320
  486   3HG1  VAL   5          3HG1      VAL   5  -6.834   1.620   1.736
  487   1HG2  VAL   5          1HG2      VAL   5  -8.440   4.671   0.621
  488   2HG2  VAL   5          2HG2      VAL   5  -7.132   3.658   0.012
  489   3HG2  VAL   5          3HG2      VAL   5  -8.616   2.915   0.608
  490    H    LYS   6           H        LYS   6  -6.413   6.791   0.731
  491    HA   LYS   6           HA       LYS   6  -8.423   8.511   1.899
  492   1HB   LYS   6          1HB       LYS   6  -6.888   8.799  -0.690
  493   2HB   LYS   6          2HB       LYS   6  -7.906  10.032   0.035
  494   1HG   LYS   6          1HG       LYS   6  -6.374   9.923   2.046
  495   2HG   LYS   6          2HG       LYS   6  -5.288   8.963   1.038
  496   1HD   LYS   6          1HD       LYS   6  -6.253  11.764   0.470
  497   2HD   LYS   6          2HD       LYS   6  -4.632  11.301   0.989
  498   1HE   LYS   6          1HE       LYS   6  -4.331  10.030  -1.074
  499   2HE   LYS   6          2HE       LYS   6  -5.957  10.476  -1.591
  500   1HZ   LYS   6          1HZ       LYS   6  -4.874  12.873  -1.091
  501   2HZ   LYS   6          2HZ       LYS   6  -3.516  12.025  -1.637
  502   3HZ   LYS   6          3HZ       LYS   6  -4.890  12.139  -2.616
  503    H    THR   7           H        THR   7 -10.525   8.332   1.487
  504    HA   THR   7           HA       THR   7 -11.530   6.522  -0.466
  505    HB   THR   7           HB       THR   7 -13.760   7.384   0.159
  506    HG1  THR   7           HG1      THR   7 -13.848   9.352   0.912
  507   1HG2  THR   7          1HG2      THR   7 -12.723   5.643   1.528
  508   2HG2  THR   7          2HG2      THR   7 -11.940   6.878   2.515
  509   3HG2  THR   7          3HG2      THR   7 -13.697   6.727   2.521
  510    H    LEU   8           H        LEU   8 -13.762   7.981  -1.458
  511    HA   LEU   8           HA       LEU   8 -12.466   9.316  -3.666
  512   1HB   LEU   8          1HB       LEU   8 -15.368   8.716  -3.097
  513   2HB   LEU   8          2HB       LEU   8 -14.814   9.548  -4.536
  514    HG   LEU   8           HG       LEU   8 -13.419   7.503  -5.058
  515   1HD1  LEU   8          1HD1      LEU   8 -16.365   7.704  -5.119
  516   2HD1  LEU   8          2HD1      LEU   8 -15.210   7.531  -6.440
  517   3HD1  LEU   8          3HD1      LEU   8 -15.669   6.125  -5.480
  518   1HD2  LEU   8          1HD2      LEU   8 -13.851   6.735  -2.540
  519   2HD2  LEU   8          2HD2      LEU   8 -15.180   5.884  -3.325
  520   3HD2  LEU   8          3HD2      LEU   8 -13.519   5.601  -3.848
  521    H    THR   9           H        THR   9 -14.669  10.175  -1.033
  522    HA   THR   9           HA       THR   9 -14.916  12.908  -1.801
  523    HB   THR   9           HB       THR   9 -16.644  11.929  -0.432
  524    HG1  THR   9           HG1      THR   9 -15.802  14.223  -0.084
  525   1HG2  THR   9          1HG2      THR   9 -14.918  10.421   0.794
  526   2HG2  THR   9          2HG2      THR   9 -14.797  11.772   1.921
  527   3HG2  THR   9          3HG2      THR   9 -16.348  10.975   1.665
  528    H    GLY  10           H        GLY  10 -12.920  11.207   0.610
  529   1HA   GLY  10          1HA       GLY  10 -11.577  13.694   1.313
  530   2HA   GLY  10          2HA       GLY  10 -10.606  12.524   0.435
  531    H    LYS  11           H        LYS  11 -13.062  11.872   2.891
  532    HA   LYS  11           HA       LYS  11 -11.492  11.642   5.140
  533   1HB   LYS  11          1HB       LYS  11 -13.201  10.099   6.015
  534   2HB   LYS  11          2HB       LYS  11 -13.914  11.506   5.236
  535   1HG   LYS  11          1HG       LYS  11 -14.562  10.257   3.344
  536   2HG   LYS  11          2HG       LYS  11 -13.554   8.886   3.812
  537   1HD   LYS  11          1HD       LYS  11 -14.972   8.412   5.692
  538   2HD   LYS  11          2HD       LYS  11 -15.921   9.874   5.398
  539   1HE   LYS  11          1HE       LYS  11 -16.631   8.953   3.233
  540   2HE   LYS  11          2HE       LYS  11 -15.709   7.489   3.562
  541   1HZ   LYS  11          1HZ       LYS  11 -17.330   7.875   5.760
  542   2HZ   LYS  11          2HZ       LYS  11 -18.317   8.183   4.422
  543   3HZ   LYS  11          3HZ       LYS  11 -17.509   6.702   4.555
  544    H    THR  12           H        THR  12 -10.107  10.197   5.976
  545    HA   THR  12           HA       THR  12  -9.139   8.079   4.269
  546    HB   THR  12           HB       THR  12  -7.576   7.641   6.214
  547    HG1  THR  12           HG1      THR  12  -9.193   9.559   7.305
  548   1HG2  THR  12          1HG2      THR  12  -7.541   9.613   4.215
  549   2HG2  THR  12          2HG2      THR  12  -6.916  10.380   5.676
  550   3HG2  THR  12          3HG2      THR  12  -6.163   8.909   5.061
  551    H    ILE  13           H        ILE  13  -9.249   5.904   4.655
  552    HA   ILE  13           HA       ILE  13 -11.112   5.080   6.776
  553    HB   ILE  13           HB       ILE  13 -11.448   3.025   5.305
  554   1HG1  ILE  13          1HG1      ILE  13 -10.328   4.899   3.210
  555   2HG1  ILE  13          2HG1      ILE  13  -9.495   3.476   3.830
  556   1HG2  ILE  13          1HG2      ILE  13 -12.505   5.750   4.971
  557   2HG2  ILE  13          2HG2      ILE  13 -12.859   4.622   3.658
  558   3HG2  ILE  13          3HG2      ILE  13 -13.342   4.232   5.308
  559   1HD1  ILE  13          1HD1      ILE  13 -11.549   2.175   3.045
  560   2HD1  ILE  13          2HD1      ILE  13 -11.936   3.621   2.114
  561   3HD1  ILE  13          3HD1      ILE  13 -10.420   2.767   1.827
  562    H    THR  14           H        THR  14 -10.301   3.904   8.334
  563    HA   THR  14           HA       THR  14  -7.638   2.782   8.085
  564    HB   THR  14           HB       THR  14  -8.255   2.066  10.558
  565    HG1  THR  14           HG1      THR  14  -9.647   4.339  10.885
  566   1HG2  THR  14          1HG2      THR  14  -6.703   3.976   9.466
  567   2HG2  THR  14          2HG2      THR  14  -7.849   4.982  10.356
  568   3HG2  THR  14          3HG2      THR  14  -6.905   3.758  11.205
  569    H    LEU  15           H        LEU  15  -7.135   0.589   8.426
  570    HA   LEU  15           HA       LEU  15  -9.207  -1.369   8.781
  571   1HB   LEU  15          1HB       LEU  15  -9.536  -0.703   6.439
  572   2HB   LEU  15          2HB       LEU  15  -7.861  -1.065   6.093
  573    HG   LEU  15           HG       LEU  15  -9.854  -3.151   6.966
  574   1HD1  LEU  15          1HD1      LEU  15  -9.012  -2.243   4.222
  575   2HD1  LEU  15          2HD1      LEU  15  -9.784  -3.797   4.537
  576   3HD1  LEU  15          3HD1      LEU  15 -10.644  -2.297   4.889
  577   1HD2  LEU  15          1HD2      LEU  15  -6.995  -3.130   6.236
  578   2HD2  LEU  15          2HD2      LEU  15  -7.890  -4.211   7.307
  579   3HD2  LEU  15          3HD2      LEU  15  -7.971  -4.437   5.559
  580    H    GLU  16           H        GLU  16  -8.183  -2.708  10.139
  581    HA   GLU  16           HA       GLU  16  -5.327  -3.072  10.021
  582   1HB   GLU  16          1HB       GLU  16  -5.673  -4.506  12.015
  583   2HB   GLU  16          2HB       GLU  16  -6.347  -2.893  12.195
  584   1HG   GLU  16          1HG       GLU  16  -8.573  -3.758  11.719
  585   2HG   GLU  16          2HG       GLU  16  -7.904  -5.376  11.512
  586    H    VAL  17           H        VAL  17  -4.230  -4.719   9.211
  587    HA   VAL  17           HA       VAL  17  -5.371  -7.317   8.774
  588    HB   VAL  17           HB       VAL  17  -4.664  -7.280   6.294
  589   1HG1  VAL  17          1HG1      VAL  17  -7.164  -5.873   7.220
  590   2HG1  VAL  17          2HG1      VAL  17  -6.905  -6.509   5.595
  591   3HG1  VAL  17          3HG1      VAL  17  -6.956  -7.608   6.975
  592   1HG2  VAL  17          1HG2      VAL  17  -4.317  -4.513   7.007
  593   2HG2  VAL  17          2HG2      VAL  17  -3.863  -5.358   5.528
  594   3HG2  VAL  17          3HG2      VAL  17  -5.485  -4.683   5.696
  595    H    GLU  18           H        GLU  18  -3.837  -8.875   8.657
  596    HA   GLU  18           HA       GLU  18  -1.257  -8.325   9.571
  597   1HB   GLU  18          1HB       GLU  18  -2.191 -10.791   8.100
  598   2HB   GLU  18          2HB       GLU  18  -0.793 -10.675   9.159
  599   1HG   GLU  18          1HG       GLU  18  -2.259 -10.202  11.050
  600   2HG   GLU  18          2HG       GLU  18  -3.662 -10.308   9.989
  601    HA   PRO  19           HA       PRO  19   1.031  -7.052   6.004
  602   1HB   PRO  19          1HB       PRO  19   3.456  -8.159   6.667
  603   2HB   PRO  19          2HB       PRO  19   2.851  -6.643   7.325
  604   1HG   PRO  19          1HG       PRO  19   2.770  -9.398   8.492
  605   2HG   PRO  19          2HG       PRO  19   3.188  -7.865   9.272
  606   1HD   PRO  19          1HD       PRO  19   0.775  -8.946   9.612
  607   2HD   PRO  19          2HD       PRO  19   0.965  -7.193   9.413
  608    H    SER  20           H        SER  20   1.336 -10.400   7.098
  609    HA   SER  20           HA       SER  20   2.417 -11.455   4.726
  610   1HB   SER  20          1HB       SER  20   0.711 -12.839   6.809
  611   2HB   SER  20          2HB       SER  20   1.726 -13.637   5.610
  612    HG   SER  20           HG       SER  20   2.733 -13.425   7.682
  613    H    ASP  21           H        ASP  21  -0.808 -10.576   5.639
  614    HA   ASP  21           HA       ASP  21  -2.322 -12.129   3.889
  615   1HB   ASP  21          1HB       ASP  21  -3.260 -10.666   5.670
  616   2HB   ASP  21          2HB       ASP  21  -2.851  -9.260   4.694
  617    H    THR  22           H        THR  22  -2.755 -12.047   1.748
  618    HA   THR  22           HA       THR  22  -0.997 -10.730   0.004
  619    HB   THR  22           HB       THR  22  -2.528 -11.437  -1.809
  620    HG1  THR  22           HG1      THR  22  -4.301 -11.489   0.213
  621   1HG2  THR  22          1HG2      THR  22  -0.865 -12.969  -0.518
  622   2HG2  THR  22          2HG2      THR  22  -2.330 -13.734   0.098
  623   3HG2  THR  22          3HG2      THR  22  -2.021 -13.691  -1.638
  624    H    ILE  23           H        ILE  23  -1.178  -8.931  -1.263
  625    HA   ILE  23           HA       ILE  23  -2.521  -6.712  -0.286
  626    HB   ILE  23           HB       ILE  23  -1.606  -7.161  -3.131
  627   1HG1  ILE  23          1HG1      ILE  23  -0.179  -5.936  -0.759
  628   2HG1  ILE  23          2HG1      ILE  23   0.200  -7.484  -1.503
  629   1HG2  ILE  23          1HG2      ILE  23  -3.222  -5.192  -2.408
  630   2HG2  ILE  23          2HG2      ILE  23  -1.702  -4.474  -1.873
  631   3HG2  ILE  23          3HG2      ILE  23  -1.910  -4.943  -3.561
  632   1HD1  ILE  23          1HD1      ILE  23   0.307  -4.924  -3.055
  633   2HD1  ILE  23          2HD1      ILE  23   1.671  -5.499  -2.095
  634   3HD1  ILE  23          3HD1      ILE  23   1.058  -6.477  -3.428
  635    H    GLU  24           H        GLU  24  -3.494  -8.981  -2.822
  636    HA   GLU  24           HA       GLU  24  -5.708  -7.634  -3.815
  637   1HB   GLU  24          1HB       GLU  24  -6.542  -9.838  -4.521
  638   2HB   GLU  24          2HB       GLU  24  -4.832  -9.638  -4.876
  639   1HG   GLU  24          1HG       GLU  24  -4.257 -10.976  -2.928
  640   2HG   GLU  24          2HG       GLU  24  -5.966 -11.147  -2.529
  641    H    ASN  25           H        ASN  25  -5.508  -9.837  -1.031
  642    HA   ASN  25           HA       ASN  25  -8.265  -9.822  -0.427
  643   1HB   ASN  25          1HB       ASN  25  -5.883 -10.287   1.380
  644   2HB   ASN  25          2HB       ASN  25  -7.553 -10.612   1.825
  645   1HD2  ASN  25          2HD2      ASN  25  -7.378 -11.269  -1.371
  646   2HD2  ASN  25          1HD2      ASN  25  -7.021 -12.955  -1.306
  647    H    VAL  26           H        VAL  26  -5.562  -7.907   0.839
  648    HA   VAL  26           HA       VAL  26  -6.953  -6.376   2.702
  649    HB   VAL  26           HB       VAL  26  -4.505  -5.794   1.055
  650   1HG1  VAL  26          1HG1      VAL  26  -5.042  -7.158   3.513
  651   2HG1  VAL  26          2HG1      VAL  26  -3.526  -7.011   2.625
  652   3HG1  VAL  26          3HG1      VAL  26  -3.975  -5.785   3.812
  653   1HG2  VAL  26          1HG2      VAL  26  -6.118  -3.877   2.445
  654   2HG2  VAL  26          2HG2      VAL  26  -4.539  -4.018   3.216
  655   3HG2  VAL  26          3HG2      VAL  26  -4.651  -3.633   1.499
  656    H    LYS  27           H        LYS  27  -6.385  -5.762  -0.741
  657    HA   LYS  27           HA       LYS  27  -7.660  -3.244  -0.834
  658   1HB   LYS  27          1HB       LYS  27  -7.250  -5.253  -3.055
  659   2HB   LYS  27          2HB       LYS  27  -7.637  -3.552  -3.267
  660   1HG   LYS  27          1HG       LYS  27  -5.524  -2.893  -2.350
  661   2HG   LYS  27          2HG       LYS  27  -5.145  -4.561  -1.915
  662   1HD   LYS  27          1HD       LYS  27  -3.945  -4.022  -3.915
  663   2HD   LYS  27          2HD       LYS  27  -5.239  -5.143  -4.336
  664   1HE   LYS  27          1HE       LYS  27  -5.100  -3.377  -5.985
  665   2HE   LYS  27          2HE       LYS  27  -6.612  -3.251  -5.087
  666   1HZ   LYS  27          1HZ       LYS  27  -4.208  -1.680  -4.373
  667   2HZ   LYS  27          2HZ       LYS  27  -5.368  -1.118  -5.469
  668   3HZ   LYS  27          3HZ       LYS  27  -5.801  -1.434  -3.865
  669    H    ALA  28           H        ALA  28  -8.812  -6.532  -1.422
  670    HA   ALA  28           HA       ALA  28 -11.338  -5.938  -2.435
  671   1HB   ALA  28          1HB       ALA  28 -11.108  -8.147  -2.669
  672   2HB   ALA  28          2HB       ALA  28 -10.006  -8.269  -1.297
  673   3HB   ALA  28          3HB       ALA  28 -11.750  -8.252  -1.030
  674    H    LYS  29           H        LYS  29 -10.257  -6.256   0.921
  675    HA   LYS  29           HA       LYS  29 -12.796  -6.092   2.119
  676   1HB   LYS  29          1HB       LYS  29 -10.797  -6.889   3.309
  677   2HB   LYS  29          2HB       LYS  29 -10.097  -5.279   3.225
  678   1HG   LYS  29          1HG       LYS  29 -11.804  -4.397   4.660
  679   2HG   LYS  29          2HG       LYS  29 -12.668  -5.937   4.644
  680   1HD   LYS  29          1HD       LYS  29  -9.894  -5.503   5.749
  681   2HD   LYS  29          2HD       LYS  29 -11.368  -5.616   6.709
  682   1HE   LYS  29          1HE       LYS  29 -11.733  -7.890   5.880
  683   2HE   LYS  29          2HE       LYS  29 -10.257  -7.777   4.923
  684   1HZ   LYS  29          1HZ       LYS  29  -9.042  -7.423   7.038
  685   2HZ   LYS  29          2HZ       LYS  29 -10.473  -7.742   7.881
  686   3HZ   LYS  29          3HZ       LYS  29  -9.769  -8.946   6.921
  687    H    ILE  30           H        ILE  30 -10.522  -3.666   1.009
  688    HA   ILE  30           HA       ILE  30 -11.626  -1.412   2.237
  689    HB   ILE  30           HB       ILE  30 -10.358  -1.532  -0.503
  690   1HG1  ILE  30          1HG1      ILE  30  -9.098  -1.051   2.208
  691   2HG1  ILE  30          2HG1      ILE  30  -8.927  -2.519   1.254
  692   1HG2  ILE  30          1HG2      ILE  30 -11.113   0.685   1.344
  693   2HG2  ILE  30          2HG2      ILE  30  -9.688   0.865   0.321
  694   3HG2  ILE  30          3HG2      ILE  30 -11.268   0.578  -0.409
  695   1HD1  ILE  30          1HD1      ILE  30  -8.026  -0.851  -0.557
  696   2HD1  ILE  30          2HD1      ILE  30  -7.706   0.156   0.856
  697   3HD1  ILE  30          3HD1      ILE  30  -6.986  -1.449   0.736
  698    H    GLN  31           H        GLN  31 -12.570  -3.177  -0.662
  699    HA   GLN  31           HA       GLN  31 -14.412  -1.327  -1.705
  700   1HB   GLN  31          1HB       GLN  31 -14.528  -4.351  -1.816
  701   2HB   GLN  31          2HB       GLN  31 -15.411  -3.250  -2.862
  702   1HG   GLN  31          1HG       GLN  31 -13.309  -2.436  -3.788
  703   2HG   GLN  31          2HG       GLN  31 -12.419  -3.529  -2.732
  704   1HE2  GLN  31          2HE2      GLN  31 -11.756  -5.302  -3.686
  705   2HE2  GLN  31          1HE2      GLN  31 -12.534  -6.113  -4.996
  706    H    ASP  32           H        ASP  32 -14.764  -4.032   0.543
  707    HA   ASP  32           HA       ASP  32 -17.517  -3.672   1.060
  708   1HB   ASP  32          1HB       ASP  32 -16.283  -5.755   1.602
  709   2HB   ASP  32          2HB       ASP  32 -15.385  -4.882   2.839
  710    H    LYS  33           H        LYS  33 -14.589  -2.297   2.251
  711    HA   LYS  33           HA       LYS  33 -15.552  -1.055   4.583
  712   1HB   LYS  33          1HB       LYS  33 -13.134  -1.507   3.863
  713   2HB   LYS  33          2HB       LYS  33 -13.274  -0.053   2.886
  714   1HG   LYS  33          1HG       LYS  33 -12.203   0.427   5.001
  715   2HG   LYS  33          2HG       LYS  33 -13.758   1.254   4.892
  716   1HD   LYS  33          1HD       LYS  33 -14.771  -0.581   6.220
  717   2HD   LYS  33          2HD       LYS  33 -13.167  -1.291   6.402
  718   1HE   LYS  33          1HE       LYS  33 -13.792   0.025   8.364
  719   2HE   LYS  33          2HE       LYS  33 -12.392   0.714   7.542
  720   1HZ   LYS  33          1HZ       LYS  33 -15.170   1.667   7.128
  721   2HZ   LYS  33          2HZ       LYS  33 -14.097   2.361   8.239
  722   3HZ   LYS  33          3HZ       LYS  33 -13.745   2.397   6.586
  723    H    GLU  34           H        GLU  34 -15.545  -0.117   1.207
  724    HA   GLU  34           HA       GLU  34 -17.318   2.110   1.858
  725   1HB   GLU  34          1HB       GLU  34 -15.055   3.097   1.748
  726   2HB   GLU  34          2HB       GLU  34 -14.862   2.450   0.124
  727   1HG   GLU  34          1HG       GLU  34 -15.412   4.775  -0.014
  728   2HG   GLU  34          2HG       GLU  34 -16.766   3.823  -0.621
  729    H    GLY  35           H        GLY  35 -15.562   0.956  -1.034
  730   1HA   GLY  35          1HA       GLY  35 -18.128   0.906  -2.461
  731   2HA   GLY  35          2HA       GLY  35 -17.159  -0.558  -2.419
  732    H    ILE  36           H        ILE  36 -14.622   0.380  -2.787
  733    HA   ILE  36           HA       ILE  36 -14.793   1.610  -5.458
  734    HB   ILE  36           HB       ILE  36 -12.194   1.990  -4.304
  735   1HG1  ILE  36          1HG1      ILE  36 -12.969   3.762  -2.625
  736   2HG1  ILE  36          2HG1      ILE  36 -14.533   2.959  -2.666
  737   1HG2  ILE  36          1HG2      ILE  36 -14.279   3.525  -5.679
  738   2HG2  ILE  36          2HG2      ILE  36 -13.197   4.467  -4.654
  739   3HG2  ILE  36          3HG2      ILE  36 -12.536   3.465  -5.948
  740   1HD1  ILE  36          1HD1      ILE  36 -12.517   0.999  -2.243
  741   2HD1  ILE  36          2HD1      ILE  36 -12.282   2.324  -1.103
  742   3HD1  ILE  36          3HD1      ILE  36 -13.834   1.488  -1.175
  743    HA   PRO  37           HA       PRO  37 -12.962  -2.183  -6.908
  744   1HB   PRO  37          1HB       PRO  37 -11.855  -0.343  -8.976
  745   2HB   PRO  37          2HB       PRO  37 -12.725  -1.864  -9.177
  746   1HG   PRO  37          1HG       PRO  37 -13.939   0.459  -9.632
  747   2HG   PRO  37          2HG       PRO  37 -14.799  -0.876  -8.845
  748   1HD   PRO  37          1HD       PRO  37 -13.666   1.614  -7.655
  749   2HD   PRO  37          2HD       PRO  37 -15.136   0.724  -7.220
  750    HA   PRO  38           HA       PRO  38  -8.929  -1.890  -5.060
  751   1HB   PRO  38          1HB       PRO  38  -7.853  -4.141  -6.256
  752   2HB   PRO  38          2HB       PRO  38  -8.846  -4.152  -4.797
  753   1HG   PRO  38          1HG       PRO  38  -9.631  -4.693  -7.629
  754   2HG   PRO  38          2HG       PRO  38 -10.143  -5.518  -6.146
  755   1HD   PRO  38          1HD       PRO  38 -11.728  -3.738  -7.373
  756   2HD   PRO  38          2HD       PRO  38 -11.668  -3.854  -5.602
  757    H    ASP  39           H        ASP  39  -9.307  -2.421  -8.530
  758    HA   ASP  39           HA       ASP  39  -6.694  -1.898  -9.348
  759   1HB   ASP  39          1HB       ASP  39  -9.281  -1.288 -10.795
  760   2HB   ASP  39          2HB       ASP  39  -7.689  -1.335 -11.540
  761    H    GLN  40           H        GLN  40  -9.378   0.283  -8.648
  762    HA   GLN  40           HA       GLN  40  -8.136   2.637  -9.572
  763   1HB   GLN  40          1HB       GLN  40 -10.283   2.270  -7.477
  764   2HB   GLN  40          2HB       GLN  40  -9.851   3.804  -8.224
  765   1HG   GLN  40          1HG       GLN  40 -10.584   3.030 -10.372
  766   2HG   GLN  40          2HG       GLN  40 -10.853   1.408  -9.743
  767   1HE2  GLN  40          2HE2      GLN  40 -11.764   3.411  -7.341
  768   2HE2  GLN  40          1HE2      GLN  40 -13.445   3.563  -7.698
  769    H    GLN  41           H        GLN  41  -8.152   0.983  -6.472
  770    HA   GLN  41           HA       GLN  41  -7.007   2.904  -4.834
  771   1HB   GLN  41          1HB       GLN  41  -6.329  -0.033  -4.718
  772   2HB   GLN  41          2HB       GLN  41  -6.371   1.113  -3.386
  773   1HG   GLN  41          1HG       GLN  41  -8.757   0.179  -4.962
  774   2HG   GLN  41          2HG       GLN  41  -8.283  -0.408  -3.370
  775   1HE2  GLN  41          2HE2      GLN  41  -9.390   0.427  -1.786
  776   2HE2  GLN  41          1HE2      GLN  41 -10.085   2.006  -1.736
  777    H    ARG  42           H        ARG  42  -4.989   3.730  -4.584
  778    HA   ARG  42           HA       ARG  42  -2.915   2.700  -6.363
  779   1HB   ARG  42          1HB       ARG  42  -3.565   5.011  -6.813
  780   2HB   ARG  42          2HB       ARG  42  -3.201   5.447  -5.150
  781   1HG   ARG  42          1HG       ARG  42  -1.418   6.153  -6.621
  782   2HG   ARG  42          2HG       ARG  42  -0.844   4.894  -5.528
  783   1HD   ARG  42          1HD       ARG  42  -0.022   4.527  -7.793
  784   2HD   ARG  42          2HD       ARG  42  -1.108   3.230  -7.293
  785    HE   ARG  42           HE       ARG  42  -2.608   5.163  -8.648
  786   1HH1  ARG  42          1HH1      ARG  42  -0.110   2.817  -9.283
  787   2HH1  ARG  42          2HH1      ARG  42  -0.581   2.571 -10.932
  788   1HH2  ARG  42          1HH2      ARG  42  -3.234   4.845 -10.816
  789   2HH2  ARG  42          2HH2      ARG  42  -2.357   3.725 -11.803
  790    H    LEU  43           H        LEU  43  -1.254   1.653  -5.485
  791    HA   LEU  43           HA       LEU  43  -0.935   1.435  -2.669
  792   1HB   LEU  43          1HB       LEU  43   0.627   0.479  -5.035
  793   2HB   LEU  43          2HB       LEU  43   1.324   0.360  -3.432
  794    HG   LEU  43           HG       LEU  43  -0.572  -1.020  -2.707
  795   1HD1  LEU  43          1HD1      LEU  43  -1.466  -0.776  -5.574
  796   2HD1  LEU  43          2HD1      LEU  43  -2.143  -1.896  -4.390
  797   3HD1  LEU  43          3HD1      LEU  43  -2.303  -0.154  -4.152
  798   1HD2  LEU  43          1HD2      LEU  43   0.835  -1.985  -5.186
  799   2HD2  LEU  43          2HD2      LEU  43   1.391  -2.143  -3.521
  800   3HD2  LEU  43          3HD2      LEU  43  -0.043  -3.016  -4.058
  801    H    ILE  44           H        ILE  44   0.186   2.630  -1.295
  802    HA   ILE  44           HA       ILE  44   2.431   4.232  -2.247
  803    HB   ILE  44           HB       ILE  44   0.127   5.426  -0.707
  804   1HG1  ILE  44          1HG1      ILE  44   1.153   6.013  -3.494
  805   2HG1  ILE  44          2HG1      ILE  44  -0.302   5.093  -3.126
  806   1HG2  ILE  44          1HG2      ILE  44   2.303   6.289   0.019
  807   2HG2  ILE  44          2HG2      ILE  44   2.696   6.694  -1.652
  808   3HG2  ILE  44          3HG2      ILE  44   1.369   7.519  -0.833
  809   1HD1  ILE  44          1HD1      ILE  44  -0.334   7.656  -1.820
  810   2HD1  ILE  44          2HD1      ILE  44  -0.114   7.815  -3.562
  811   3HD1  ILE  44          3HD1      ILE  44  -1.502   6.933  -2.925
  812    H    PHE  45           H        PHE  45   4.092   3.933  -0.934
  813    HA   PHE  45           HA       PHE  45   3.567   3.307   1.898
  814   1HB   PHE  45          1HB       PHE  45   5.710   2.201   0.073
  815   2HB   PHE  45          2HB       PHE  45   5.722   1.997   1.821
  816    HD1  PHE  45           HD1      PHE  45   5.061  -0.063   2.531
  817    HD2  PHE  45           HD2      PHE  45   3.220   1.590  -0.931
  818    HE1  PHE  45           HE1      PHE  45   3.678  -2.085   2.306
  819    HE2  PHE  45           HE2      PHE  45   1.831  -0.427  -1.160
  820    HZ   PHE  45           HZ       PHE  45   2.058  -2.268   0.460
  821    H    ALA  46           H        ALA  46   4.940   4.236   3.450
  822    HA   ALA  46           HA       ALA  46   7.051   6.016   2.507
  823   1HB   ALA  46          1HB       ALA  46   5.620   7.750   2.485
  824   2HB   ALA  46          2HB       ALA  46   4.457   6.942   3.536
  825   3HB   ALA  46          3HB       ALA  46   5.875   7.727   4.229
  826    H    GLY  47           H        GLY  47   8.747   5.983   3.817
  827   1HA   GLY  47          1HA       GLY  47   9.981   4.954   5.550
  828   2HA   GLY  47          2HA       GLY  47   8.481   4.654   6.411
  829    H    LYS  48           H        LYS  48   8.852   5.607   8.343
  830    HA   LYS  48           HA       LYS  48  10.201   8.126   8.576
  831   1HB   LYS  48          1HB       LYS  48   8.303   9.373   9.546
  832   2HB   LYS  48          2HB       LYS  48   8.055   8.990   7.852
  833   1HG   LYS  48          1HG       LYS  48   6.891   7.340  10.075
  834   2HG   LYS  48          2HG       LYS  48   6.059   8.723   9.363
  835   1HD   LYS  48          1HD       LYS  48   7.017   6.310   7.828
  836   2HD   LYS  48          2HD       LYS  48   5.363   6.561   8.385
  837   1HE   LYS  48          1HE       LYS  48   6.875   8.348   6.485
  838   2HE   LYS  48          2HE       LYS  48   5.628   7.188   6.034
  839   1HZ   LYS  48          1HZ       LYS  48   4.205   8.524   7.708
  840   2HZ   LYS  48          2HZ       LYS  48   5.351   9.745   7.460
  841   3HZ   LYS  48          3HZ       LYS  48   4.457   9.145   6.155
  842    H    GLN  49           H        GLN  49  11.390   6.536   9.798
  843    HA   GLN  49           HA       GLN  49  10.357   5.474  12.215
  844   1HB   GLN  49          1HB       GLN  49  12.321   4.484  11.234
  845   2HB   GLN  49          2HB       GLN  49  13.175   6.018  11.267
  846   1HG   GLN  49          1HG       GLN  49  14.003   4.620  13.015
  847   2HG   GLN  49          2HG       GLN  49  13.111   5.967  13.720
  848   1HE2  GLN  49          2HE2      GLN  49  13.640   2.758  13.962
  849   2HE2  GLN  49          1HE2      GLN  49  12.178   2.269  14.737
  850    H    LEU  50           H        LEU  50   9.609   6.746  13.776
  851    HA   LEU  50           HA       LEU  50   9.998   9.442  14.098
  852   1HB   LEU  50          1HB       LEU  50   9.366   7.354  16.173
  853   2HB   LEU  50          2HB       LEU  50   9.340   9.071  16.511
  854    HG   LEU  50           HG       LEU  50   7.091   8.352  16.126
  855   1HD1  LEU  50          1HD1      LEU  50   8.075  10.495  14.985
  856   2HD1  LEU  50          2HD1      LEU  50   7.716   9.608  13.504
  857   3HD1  LEU  50          3HD1      LEU  50   6.425   9.967  14.652
  858   1HD2  LEU  50          1HD2      LEU  50   8.295   6.660  14.162
  859   2HD2  LEU  50          2HD2      LEU  50   6.668   6.605  14.841
  860   3HD2  LEU  50          3HD2      LEU  50   7.003   7.609  13.430
  861    H    GLU  51           H        GLU  51  12.258   9.769  13.682
  862    HA   GLU  51           HA       GLU  51  14.331   8.808  15.309
  863   1HB   GLU  51          1HB       GLU  51  14.174  11.410  13.777
  864   2HB   GLU  51          2HB       GLU  51  15.647  10.704  14.424
  865   1HG   GLU  51          1HG       GLU  51  15.356   8.764  12.969
  866   2HG   GLU  51          2HG       GLU  51  13.879   9.473  12.322

  No H/Q in entry =         866
  Start of MODEL    7
    1    H1   GLY  -1           H1       GLY  -1   3.251  -0.008 -14.598
    2    H2   GLY  -1           H2       GLY  -1   4.668  -0.521 -13.832
    3    H3   GLY  -1           H3       GLY  -1   4.754   0.277 -15.321
    4   1HA   GLY  -1          1HA       GLY  -1   4.980  -2.295 -15.219
    5   2HA   GLY  -1          2HA       GLY  -1   4.093  -1.527 -16.524
    6    H    SER   0           H        SER   0   3.942  -4.161 -14.875
    7    HA   SER   0           HA       SER   0   1.200  -4.609 -15.224
    8   1HB   SER   0          1HB       SER   0   3.162  -6.113 -13.474
    9   2HB   SER   0          2HB       SER   0   1.575  -6.703 -13.966
   10    HG   SER   0           HG       SER   0   3.925  -6.510 -15.413
   11    H    MET   1           H        MET   1   3.063  -3.712 -12.364
   12    HA   MET   1           HA       MET   1   0.761  -2.561 -11.125
   13   1HB   MET   1          1HB       MET   1   0.314  -4.886 -10.577
   14   2HB   MET   1          2HB       MET   1   1.937  -5.076  -9.928
   15   1HG   MET   1          1HG       MET   1   0.254  -4.857  -8.174
   16   2HG   MET   1          2HG       MET   1   1.437  -3.554  -8.126
   17   1HE   MET   1          1HE       MET   1  -0.955  -3.338  -6.456
   18   2HE   MET   1          2HE       MET   1  -0.080  -1.820  -6.664
   19   3HE   MET   1          3HE       MET   1  -1.834  -1.861  -6.856
   20    H    GLN   2           H        GLN   2   2.852  -1.164 -11.747
   21    HA   GLN   2           HA       GLN   2   5.042  -1.137  -9.996
   22   1HB   GLN   2          1HB       GLN   2   5.431   1.146 -10.813
   23   2HB   GLN   2          2HB       GLN   2   5.059   0.048 -12.133
   24   1HG   GLN   2          1HG       GLN   2   2.733   0.875 -12.117
   25   2HG   GLN   2          2HG       GLN   2   3.184   2.032 -10.868
   26   1HE2  GLN   2          2HE2      GLN   2   5.814   1.678 -12.811
   27   2HE2  GLN   2          1HE2      GLN   2   5.546   2.991 -13.898
   28    H    ILE   3           H        ILE   3   5.249  -0.499  -7.962
   29    HA   ILE   3           HA       ILE   3   2.969   0.720  -6.620
   30    HB   ILE   3           HB       ILE   3   4.196   0.144  -4.531
   31   1HG1  ILE   3          1HG1      ILE   3   6.128  -1.200  -6.426
   32   2HG1  ILE   3          2HG1      ILE   3   6.475   0.223  -5.455
   33   1HG2  ILE   3          1HG2      ILE   3   3.602  -2.030  -6.516
   34   2HG2  ILE   3          2HG2      ILE   3   3.972  -2.351  -4.823
   35   3HG2  ILE   3          3HG2      ILE   3   2.555  -1.392  -5.249
   36   1HD1  ILE   3          1HD1      ILE   3   5.924  -1.234  -3.439
   37   2HD1  ILE   3          2HD1      ILE   3   6.052  -2.596  -4.552
   38   3HD1  ILE   3          3HD1      ILE   3   7.440  -1.542  -4.287
   39    H    PHE   4           H        PHE   4   2.962   2.743  -5.833
   40    HA   PHE   4           HA       PHE   4   5.277   4.433  -6.346
   41   1HB   PHE   4          1HB       PHE   4   2.483   5.093  -5.382
   42   2HB   PHE   4          2HB       PHE   4   3.742   6.288  -5.659
   43    HD1  PHE   4           HD1      PHE   4   2.457   3.363  -7.605
   44    HD2  PHE   4           HD2      PHE   4   3.335   7.526  -7.529
   45    HE1  PHE   4           HE1      PHE   4   1.773   3.546  -9.961
   46    HE2  PHE   4           HE2      PHE   4   2.653   7.717  -9.884
   47    HZ   PHE   4           HZ       PHE   4   1.870   5.725 -11.104
   48    H    VAL   5           H        VAL   5   6.676   5.066  -4.787
   49    HA   VAL   5           HA       VAL   5   5.834   5.015  -1.991
   50    HB   VAL   5           HB       VAL   5   8.221   3.442  -2.966
   51   1HG1  VAL   5          1HG1      VAL   5   7.695   4.633  -0.450
   52   2HG1  VAL   5          2HG1      VAL   5   7.538   2.886  -0.266
   53   3HG1  VAL   5          3HG1      VAL   5   9.029   3.575  -0.907
   54   1HG2  VAL   5          1HG2      VAL   5   5.446   2.701  -2.368
   55   2HG2  VAL   5          2HG2      VAL   5   6.653   1.888  -3.365
   56   3HG2  VAL   5          3HG2      VAL   5   6.670   1.682  -1.614
   57    H    LYS   6           H        LYS   6   6.843   6.466  -0.726
   58    HA   LYS   6           HA       LYS   6   8.847   8.193  -1.993
   59   1HB   LYS   6          1HB       LYS   6   7.179   8.642   0.494
   60   2HB   LYS   6          2HB       LYS   6   8.289   9.807  -0.216
   61   1HG   LYS   6          1HG       LYS   6   6.915   9.899  -2.230
   62   2HG   LYS   6          2HG       LYS   6   5.806   8.720  -1.529
   63   1HD   LYS   6          1HD       LYS   6   6.418  11.442  -0.379
   64   2HD   LYS   6          2HD       LYS   6   4.977  11.026  -1.306
   65   1HE   LYS   6          1HE       LYS   6   5.798   9.808   1.327
   66   2HE   LYS   6          2HE       LYS   6   4.529  11.010   1.096
   67   1HZ   LYS   6          1HZ       LYS   6   4.536   8.285  -0.085
   68   2HZ   LYS   6          2HZ       LYS   6   3.643   8.757   1.271
   69   3HZ   LYS   6          3HZ       LYS   6   3.305   9.434  -0.242
   70    H    THR   7           H        THR   7  10.922   8.133  -1.332
   71    HA   THR   7           HA       THR   7  11.770   6.207   0.567
   72    HB   THR   7           HB       THR   7  14.025   7.073   0.230
   73    HG1  THR   7           HG1      THR   7  14.372   8.952  -0.923
   74   1HG2  THR   7          1HG2      THR   7  12.240   6.582  -2.103
   75   2HG2  THR   7          2HG2      THR   7  13.897   7.099  -2.411
   76   3HG2  THR   7          3HG2      THR   7  13.590   5.625  -1.494
   77    H    LEU   8           H        LEU   8  13.896   7.703   1.822
   78    HA   LEU   8           HA       LEU   8  12.579   8.437   4.195
   79   1HB   LEU   8          1HB       LEU   8  15.382   9.223   3.428
   80   2HB   LEU   8          2HB       LEU   8  14.731   9.038   5.046
   81    HG   LEU   8           HG       LEU   8  14.324   6.543   4.161
   82   1HD1  LEU   8          1HD1      LEU   8  16.726   7.515   2.628
   83   2HD1  LEU   8          2HD1      LEU   8  16.238   5.830   2.813
   84   3HD1  LEU   8          3HD1      LEU   8  15.199   6.960   1.944
   85   1HD2  LEU   8          1HD2      LEU   8  16.361   7.890   5.701
   86   2HD2  LEU   8          2HD2      LEU   8  15.580   6.333   5.974
   87   3HD2  LEU   8          3HD2      LEU   8  16.985   6.441   4.913
   88    H    THR   9           H        THR   9  14.232  10.448   1.753
   89    HA   THR   9           HA       THR   9  13.371  12.892   3.006
   90    HB   THR   9           HB       THR   9  14.358  14.016   1.050
   91    HG1  THR   9           HG1      THR   9  14.512  12.913  -0.740
   92   1HG2  THR   9          1HG2      THR   9  15.871  11.979   2.606
   93   2HG2  THR   9          2HG2      THR   9  16.698  12.795   1.277
   94   3HG2  THR   9          3HG2      THR   9  16.017  13.737   2.605
   95    H    GLY  10           H        GLY  10  12.513  11.107   0.060
   96   1HA   GLY  10          1HA       GLY  10  10.315  12.955  -0.470
   97   2HA   GLY  10          2HA       GLY  10   9.877  11.306  -0.054
   98    H    LYS  11           H        LYS  11  12.294  10.251  -1.405
   99    HA   LYS  11           HA       LYS  11  12.070  10.952  -4.179
  100   1HB   LYS  11          1HB       LYS  11  14.212  10.243  -3.403
  101   2HB   LYS  11          2HB       LYS  11  13.547   8.777  -2.703
  102   1HG   LYS  11          1HG       LYS  11  14.690   8.138  -4.662
  103   2HG   LYS  11          2HG       LYS  11  12.970   8.044  -5.035
  104   1HD   LYS  11          1HD       LYS  11  14.138   9.058  -6.879
  105   2HD   LYS  11          2HD       LYS  11  13.118  10.266  -6.096
  106   1HE   LYS  11          1HE       LYS  11  15.078  11.103  -4.870
  107   2HE   LYS  11          2HE       LYS  11  16.088   9.919  -5.700
  108   1HZ   LYS  11          1HZ       LYS  11  15.354  10.982  -7.818
  109   2HZ   LYS  11          2HZ       LYS  11  14.644  12.212  -6.901
  110   3HZ   LYS  11          3HZ       LYS  11  16.316  11.966  -6.834
  111    H    THR  12           H        THR  12  10.615  10.208  -5.571
  112    HA   THR  12           HA       THR  12   8.754   8.152  -4.833
  113    HB   THR  12           HB       THR  12   9.142   9.496  -7.516
  114    HG1  THR  12           HG1      THR  12   7.749  10.208  -5.181
  115   1HG2  THR  12          1HG2      THR  12   7.835   7.259  -7.304
  116   2HG2  THR  12          2HG2      THR  12   6.596   8.254  -6.540
  117   3HG2  THR  12          3HG2      THR  12   7.107   8.598  -8.191
  118    H    ILE  13           H        ILE  13   8.669   6.047  -5.528
  119    HA   ILE  13           HA       ILE  13  10.667   5.167  -7.480
  120    HB   ILE  13           HB       ILE  13  11.086   3.131  -6.013
  121   1HG1  ILE  13          1HG1      ILE  13  10.071   5.012  -3.872
  122   2HG1  ILE  13          2HG1      ILE  13   9.222   3.574  -4.432
  123   1HG2  ILE  13          1HG2      ILE  13  12.158   5.863  -5.712
  124   2HG2  ILE  13          2HG2      ILE  13  12.601   4.702  -4.456
  125   3HG2  ILE  13          3HG2      ILE  13  12.971   4.358  -6.146
  126   1HD1  ILE  13          1HD1      ILE  13  11.608   2.510  -3.777
  127   2HD1  ILE  13          2HD1      ILE  13  11.510   3.836  -2.617
  128   3HD1  ILE  13          3HD1      ILE  13  10.232   2.621  -2.677
  129    H    THR  14           H        THR  14   9.900   3.816  -8.911
  130    HA   THR  14           HA       THR  14   7.241   2.661  -8.511
  131    HB   THR  14           HB       THR  14   7.608   2.063 -11.032
  132    HG1  THR  14           HG1      THR  14   9.233   4.364 -10.983
  133   1HG2  THR  14          1HG2      THR  14   6.324   4.102  -9.702
  134   2HG2  THR  14          2HG2      THR  14   7.298   4.958 -10.900
  135   3HG2  THR  14          3HG2      THR  14   6.155   3.717 -11.416
  136    H    LEU  15           H        LEU  15   6.826   0.468  -8.779
  137    HA   LEU  15           HA       LEU  15   8.899  -1.388  -9.458
  138   1HB   LEU  15          1HB       LEU  15   9.557  -0.737  -7.177
  139   2HB   LEU  15          2HB       LEU  15   7.978  -1.202  -6.587
  140    HG   LEU  15           HG       LEU  15   9.901  -3.157  -7.839
  141   1HD1  LEU  15          1HD1      LEU  15   9.493  -2.394  -4.954
  142   2HD1  LEU  15          2HD1      LEU  15  10.330  -3.853  -5.483
  143   3HD1  LEU  15          3HD1      LEU  15  10.979  -2.266  -5.895
  144   1HD2  LEU  15          1HD2      LEU  15   7.235  -3.315  -6.548
  145   2HD2  LEU  15          2HD2      LEU  15   7.910  -4.255  -7.882
  146   3HD2  LEU  15          3HD2      LEU  15   8.389  -4.611  -6.221
  147    H    GLU  16           H        GLU  16   7.769  -2.784 -10.638
  148    HA   GLU  16           HA       GLU  16   4.969  -3.236 -10.195
  149   1HB   GLU  16          1HB       GLU  16   5.138  -4.726 -12.155
  150   2HB   GLU  16          2HB       GLU  16   5.802  -3.129 -12.463
  151   1HG   GLU  16          1HG       GLU  16   8.060  -4.005 -12.136
  152   2HG   GLU  16          2HG       GLU  16   7.391  -5.607 -11.839
  153    H    VAL  17           H        VAL  17   3.967  -4.975  -9.381
  154    HA   VAL  17           HA       VAL  17   5.308  -7.458  -8.835
  155    HB   VAL  17           HB       VAL  17   4.527  -7.306  -6.347
  156   1HG1  VAL  17          1HG1      VAL  17   7.012  -6.737  -7.680
  157   2HG1  VAL  17          2HG1      VAL  17   6.901  -5.869  -6.149
  158   3HG1  VAL  17          3HG1      VAL  17   6.713  -7.622  -6.186
  159   1HG2  VAL  17          1HG2      VAL  17   4.398  -4.524  -7.248
  160   2HG2  VAL  17          2HG2      VAL  17   3.625  -5.313  -5.873
  161   3HG2  VAL  17          3HG2      VAL  17   5.299  -4.771  -5.752
  162    H    GLU  18           H        GLU  18   3.889  -9.111  -8.710
  163    HA   GLU  18           HA       GLU  18   1.252  -8.739  -9.560
  164   1HB   GLU  18          1HB       GLU  18   2.354 -11.132  -8.078
  165   2HB   GLU  18          2HB       GLU  18   0.956 -11.106  -9.143
  166   1HG   GLU  18          1HG       GLU  18   2.402 -10.572 -11.034
  167   2HG   GLU  18          2HG       GLU  18   3.805 -10.590  -9.966
  168    HA   PRO  19           HA       PRO  19  -0.933  -7.409  -5.932
  169   1HB   PRO  19          1HB       PRO  19  -3.306  -8.752  -6.532
  170   2HB   PRO  19          2HB       PRO  19  -2.882  -7.129  -7.065
  171   1HG   PRO  19          1HG       PRO  19  -2.657  -9.717  -8.525
  172   2HG   PRO  19          2HG       PRO  19  -3.121  -8.120  -9.136
  173   1HD   PRO  19          1HD       PRO  19  -0.686  -9.112  -9.604
  174   2HD   PRO  19          2HD       PRO  19  -0.909  -7.388  -9.240
  175    H    SER  20           H        SER  20  -1.061 -10.752  -7.002
  176    HA   SER  20           HA       SER  20  -2.018 -11.894  -4.624
  177   1HB   SER  20          1HB       SER  20  -2.058 -13.058  -6.772
  178   2HB   SER  20          2HB       SER  20  -0.298 -13.106  -6.794
  179    HG   SER  20           HG       SER  20  -1.667 -14.185  -4.598
  180    H    ASP  21           H        ASP  21   1.168 -10.885  -5.620
  181    HA   ASP  21           HA       ASP  21   2.762 -12.355  -3.876
  182   1HB   ASP  21          1HB       ASP  21   3.605 -10.848  -5.688
  183   2HB   ASP  21          2HB       ASP  21   3.189  -9.467  -4.677
  184    H    THR  22           H        THR  22   3.222 -12.236  -1.739
  185    HA   THR  22           HA       THR  22   1.433 -11.032   0.031
  186    HB   THR  22           HB       THR  22   4.255 -11.860   0.705
  187    HG1  THR  22           HG1      THR  22   1.920 -13.357   0.192
  188   1HG2  THR  22          1HG2      THR  22   1.731 -11.491   2.293
  189   2HG2  THR  22          2HG2      THR  22   3.069 -12.477   2.880
  190   3HG2  THR  22          3HG2      THR  22   3.313 -10.761   2.561
  191    H    ILE  23           H        ILE  23   1.625  -9.292   1.452
  192    HA   ILE  23           HA       ILE  23   2.706  -6.933   0.396
  193    HB   ILE  23           HB       ILE  23   1.903  -7.490   3.256
  194   1HG1  ILE  23          1HG1      ILE  23   0.333  -6.309   0.951
  195   2HG1  ILE  23          2HG1      ILE  23   0.096  -7.912   1.638
  196   1HG2  ILE  23          1HG2      ILE  23   3.024  -5.156   1.968
  197   2HG2  ILE  23          2HG2      ILE  23   1.441  -4.817   2.667
  198   3HG2  ILE  23          3HG2      ILE  23   2.730  -5.468   3.679
  199   1HD1  ILE  23          1HD1      ILE  23  -0.242  -5.367   3.199
  200   2HD1  ILE  23          2HD1      ILE  23  -1.557  -6.200   2.369
  201   3HD1  ILE  23          3HD1      ILE  23  -0.698  -6.999   3.685
  202    H    GLU  24           H        GLU  24   3.914  -9.080   2.958
  203    HA   GLU  24           HA       GLU  24   6.097  -7.515   3.746
  204   1HB   GLU  24          1HB       GLU  24   7.037  -9.567   4.678
  205   2HB   GLU  24          2HB       GLU  24   5.317  -9.461   5.023
  206   1HG   GLU  24          1HG       GLU  24   4.856 -11.017   3.201
  207   2HG   GLU  24          2HG       GLU  24   6.579 -11.126   2.858
  208    H    ASN  25           H        ASN  25   5.646  -9.621   0.998
  209    HA   ASN  25           HA       ASN  25   8.399  -9.833   0.292
  210   1HB   ASN  25          1HB       ASN  25   5.924 -10.185  -1.413
  211   2HB   ASN  25          2HB       ASN  25   7.553 -10.639  -1.889
  212   1HD2  ASN  25          2HD2      ASN  25   7.246 -11.191   1.366
  213   2HD2  ASN  25          1HD2      ASN  25   6.824 -12.863   1.317
  214    H    VAL  26           H        VAL  26   5.719  -7.867  -1.007
  215    HA   VAL  26           HA       VAL  26   7.234  -6.440  -2.873
  216    HB   VAL  26           HB       VAL  26   5.433  -4.787  -2.879
  217   1HG1  VAL  26          1HG1      VAL  26   5.279  -7.358  -3.687
  218   2HG1  VAL  26          2HG1      VAL  26   3.861  -7.254  -2.644
  219   3HG1  VAL  26          3HG1      VAL  26   4.040  -6.143  -4.002
  220   1HG2  VAL  26          1HG2      VAL  26   5.066  -4.797  -0.411
  221   2HG2  VAL  26          2HG2      VAL  26   3.589  -4.855  -1.372
  222   3HG2  VAL  26          3HG2      VAL  26   4.200  -6.321  -0.605
  223    H    LYS  27           H        LYS  27   6.538  -5.756   0.526
  224    HA   LYS  27           HA       LYS  27   7.655  -3.179   0.627
  225   1HB   LYS  27          1HB       LYS  27   7.433  -5.263   2.807
  226   2HB   LYS  27          2HB       LYS  27   7.801  -3.566   3.069
  227   1HG   LYS  27          1HG       LYS  27   5.631  -2.924   2.218
  228   2HG   LYS  27          2HG       LYS  27   5.259  -4.606   1.838
  229   1HD   LYS  27          1HD       LYS  27   4.183  -3.968   3.913
  230   2HD   LYS  27          2HD       LYS  27   5.437  -5.166   4.228
  231   1HE   LYS  27          1HE       LYS  27   6.966  -3.381   4.913
  232   2HE   LYS  27          2HE       LYS  27   5.707  -2.187   4.604
  233   1HZ   LYS  27          1HZ       LYS  27   4.689  -4.178   6.308
  234   2HZ   LYS  27          2HZ       LYS  27   6.157  -3.625   6.942
  235   3HZ   LYS  27          3HZ       LYS  27   4.909  -2.530   6.623
  236    H    ALA  28           H        ALA  28   9.070  -6.374   1.172
  237    HA   ALA  28           HA       ALA  28  11.587  -5.581   2.062
  238   1HB   ALA  28          1HB       ALA  28  11.754  -7.929   0.394
  239   2HB   ALA  28          2HB       ALA  28  10.338  -7.989   1.443
  240   3HB   ALA  28          3HB       ALA  28  11.943  -7.772   2.140
  241    H    LYS  29           H        LYS  29  10.291  -5.816  -1.196
  242    HA   LYS  29           HA       LYS  29  12.745  -5.568  -2.582
  243   1HB   LYS  29          1HB       LYS  29  10.052  -4.630  -3.575
  244   2HB   LYS  29          2HB       LYS  29  11.419  -5.188  -4.531
  245   1HG   LYS  29          1HG       LYS  29  11.132  -7.440  -3.604
  246   2HG   LYS  29          2HG       LYS  29   9.739  -6.862  -2.684
  247   1HD   LYS  29          1HD       LYS  29   8.593  -6.295  -4.767
  248   2HD   LYS  29          2HD       LYS  29   9.987  -6.855  -5.692
  249   1HE   LYS  29          1HE       LYS  29   8.277  -8.542  -3.869
  250   2HE   LYS  29          2HE       LYS  29   8.227  -8.546  -5.631
  251   1HZ   LYS  29          1HZ       LYS  29  10.557  -9.278  -5.623
  252   2HZ   LYS  29          2HZ       LYS  29  10.519  -9.367  -3.934
  253   3HZ   LYS  29          3HZ       LYS  29   9.533 -10.385  -4.857
  254    H    ILE  30           H        ILE  30  10.290  -3.231  -1.567
  255    HA   ILE  30           HA       ILE  30  11.385  -0.922  -2.665
  256    HB   ILE  30           HB       ILE  30   9.917  -1.225  -0.042
  257   1HG1  ILE  30          1HG1      ILE  30   8.877  -0.523  -2.795
  258   2HG1  ILE  30          2HG1      ILE  30   8.711  -2.098  -2.030
  259   1HG2  ILE  30          1HG2      ILE  30  10.698   1.169  -1.667
  260   2HG2  ILE  30          2HG2      ILE  30   9.257   1.206  -0.649
  261   3HG2  ILE  30          3HG2      ILE  30  10.839   0.907   0.071
  262   1HD1  ILE  30          1HD1      ILE  30   7.546   0.476  -1.003
  263   2HD1  ILE  30          2HD1      ILE  30   6.669  -0.790  -1.863
  264   3HD1  ILE  30          3HD1      ILE  30   7.355  -1.118  -0.272
  265    H    GLN  31           H        GLN  31  12.150  -2.682   0.261
  266    HA   GLN  31           HA       GLN  31  13.902  -0.851   1.474
  267   1HB   GLN  31          1HB       GLN  31  13.031  -2.740   2.700
  268   2HB   GLN  31          2HB       GLN  31  13.726  -3.867   1.542
  269   1HG   GLN  31          1HG       GLN  31  15.964  -3.212   2.252
  270   2HG   GLN  31          2HG       GLN  31  15.262  -2.094   3.422
  271   1HE2  GLN  31          2HE2      GLN  31  15.025  -2.832   5.397
  272   2HE2  GLN  31          1HE2      GLN  31  14.932  -4.491   5.865
  273    H    ASP  32           H        ASP  32  14.424  -3.597  -0.686
  274    HA   ASP  32           HA       ASP  32  17.205  -3.312  -0.964
  275   1HB   ASP  32          1HB       ASP  32  16.000  -5.357  -1.591
  276   2HB   ASP  32          2HB       ASP  32  15.171  -4.485  -2.873
  277    H    LYS  33           H        LYS  33  14.463  -1.829  -2.473
  278    HA   LYS  33           HA       LYS  33  15.783  -0.610  -4.658
  279   1HB   LYS  33          1HB       LYS  33  13.164  -0.088  -3.268
  280   2HB   LYS  33          2HB       LYS  33  13.703   0.878  -4.637
  281   1HG   LYS  33          1HG       LYS  33  13.263  -2.102  -4.652
  282   2HG   LYS  33          2HG       LYS  33  12.159  -0.893  -5.307
  283   1HD   LYS  33          1HD       LYS  33  14.988  -1.363  -6.243
  284   2HD   LYS  33          2HD       LYS  33  13.534  -1.945  -7.056
  285   1HE   LYS  33          1HE       LYS  33  12.789   0.363  -7.375
  286   2HE   LYS  33          2HE       LYS  33  14.240   0.945  -6.560
  287   1HZ   LYS  33          1HZ       LYS  33  15.556  -0.150  -8.320
  288   2HZ   LYS  33          2HZ       LYS  33  14.121  -0.538  -9.129
  289   3HZ   LYS  33          3HZ       LYS  33  14.559   1.082  -8.911
  290    H    GLU  34           H        GLU  34  15.139   0.385  -1.344
  291    HA   GLU  34           HA       GLU  34  16.924   2.680  -1.773
  292   1HB   GLU  34          1HB       GLU  34  14.625   3.520  -1.721
  293   2HB   GLU  34          2HB       GLU  34  14.352   2.713  -0.183
  294   1HG   GLU  34          1HG       GLU  34  14.728   5.078   0.145
  295   2HG   GLU  34          2HG       GLU  34  16.032   4.139   0.866
  296    H    GLY  35           H        GLY  35  15.166   1.191   0.971
  297   1HA   GLY  35          1HA       GLY  35  17.598   1.393   2.569
  298   2HA   GLY  35          2HA       GLY  35  17.019  -0.230   2.234
  299    H    ILE  36           H        ILE  36  14.955   2.566   2.824
  300    HA   ILE  36           HA       ILE  36  14.549   2.480   5.496
  301    HB   ILE  36           HB       ILE  36  11.977   2.823   4.720
  302   1HG1  ILE  36          1HG1      ILE  36  12.024   4.105   2.595
  303   2HG1  ILE  36          2HG1      ILE  36  13.711   3.656   2.375
  304   1HG2  ILE  36          1HG2      ILE  36  14.303   4.530   5.194
  305   2HG2  ILE  36          2HG2      ILE  36  13.004   5.304   4.287
  306   3HG2  ILE  36          3HG2      ILE  36  12.676   4.602   5.872
  307   1HD1  ILE  36          1HD1      ILE  36  12.761   1.226   2.547
  308   2HD1  ILE  36          2HD1      ILE  36  11.258   2.017   2.072
  309   3HD1  ILE  36          3HD1      ILE  36  12.681   2.133   1.036
  310    HA   PRO  37           HA       PRO  37  13.304  -1.654   6.595
  311   1HB   PRO  37          1HB       PRO  37  12.029   0.019   8.723
  312   2HB   PRO  37          2HB       PRO  37  12.941  -1.488   8.888
  313   1HG   PRO  37          1HG       PRO  37  14.104   0.813   9.462
  314   2HG   PRO  37          2HG       PRO  37  14.993  -0.414   8.537
  315   1HD   PRO  37          1HD       PRO  37  13.718   2.115   7.600
  316   2HD   PRO  37          2HD       PRO  37  15.203   1.323   7.038
  317    HA   PRO  38           HA       PRO  38   9.179  -1.932   4.962
  318   1HB   PRO  38          1HB       PRO  38   8.364  -4.182   6.342
  319   2HB   PRO  38          2HB       PRO  38   9.318  -4.206   4.858
  320   1HG   PRO  38          1HG       PRO  38  10.220  -4.463   7.695
  321   2HG   PRO  38          2HG       PRO  38  10.776  -5.338   6.259
  322   1HD   PRO  38          1HD       PRO  38  12.204  -3.329   7.312
  323   2HD   PRO  38          2HD       PRO  38  12.123  -3.585   5.558
  324    H    ASP  39           H        ASP  39   9.698  -2.234   8.447
  325    HA   ASP  39           HA       ASP  39   7.049  -1.828   9.267
  326   1HB   ASP  39          1HB       ASP  39   8.038  -1.207  11.458
  327   2HB   ASP  39          2HB       ASP  39   8.705  -2.699  10.804
  328    H    GLN  40           H        GLN  40   9.647   0.441   8.522
  329    HA   GLN  40           HA       GLN  40   8.336   2.755   9.462
  330   1HB   GLN  40          1HB       GLN  40  10.473   2.417   7.357
  331   2HB   GLN  40          2HB       GLN  40   9.938   3.974   7.973
  332   1HG   GLN  40          1HG       GLN  40  10.700   3.394  10.193
  333   2HG   GLN  40          2HG       GLN  40  11.158   1.787   9.639
  334   1HE2  GLN  40          2HE2      GLN  40  11.830   3.722   7.121
  335   2HE2  GLN  40          1HE2      GLN  40  13.480   4.107   7.455
  336    H    GLN  41           H        GLN  41   8.487   1.216   6.285
  337    HA   GLN  41           HA       GLN  41   7.139   3.105   4.773
  338   1HB   GLN  41          1HB       GLN  41   7.033   0.095   4.525
  339   2HB   GLN  41          2HB       GLN  41   6.563   1.232   3.271
  340   1HG   GLN  41          1HG       GLN  41   8.822   2.044   3.094
  341   2HG   GLN  41          2HG       GLN  41   9.324   1.037   4.449
  342   1HE2  GLN  41          2HE2      GLN  41  10.447  -0.644   3.822
  343   2HE2  GLN  41          1HE2      GLN  41  10.192  -1.570   2.385
  344    H    ARG  42           H        ARG  42   5.123   3.854   4.779
  345    HA   ARG  42           HA       ARG  42   3.145   2.498   6.409
  346   1HB   ARG  42          1HB       ARG  42   3.166   5.277   5.252
  347   2HB   ARG  42          2HB       ARG  42   1.856   4.612   6.218
  348   1HG   ARG  42          1HG       ARG  42   3.397   4.335   8.103
  349   2HG   ARG  42          2HG       ARG  42   4.693   5.036   7.133
  350   1HD   ARG  42          1HD       ARG  42   3.422   7.116   6.935
  351   2HD   ARG  42          2HD       ARG  42   2.125   6.415   7.902
  352    HE   ARG  42           HE       ARG  42   4.447   7.646   8.890
  353   1HH1  ARG  42          1HH1      ARG  42   2.440   4.852   9.460
  354   2HH1  ARG  42          2HH1      ARG  42   2.848   4.744  11.139
  355   1HH2  ARG  42          1HH2      ARG  42   4.987   7.508  11.099
  356   2HH2  ARG  42          2HH2      ARG  42   4.295   6.253  12.071
  357    H    LEU  43           H        LEU  43   1.466   1.444   5.594
  358    HA   LEU  43           HA       LEU  43   1.205   1.153   2.758
  359   1HB   LEU  43          1HB       LEU  43   0.736  -0.520   4.738
  360   2HB   LEU  43          2HB       LEU  43  -0.863   0.193   4.687
  361    HG   LEU  43           HG       LEU  43  -1.154  -0.522   2.391
  362   1HD1  LEU  43          1HD1      LEU  43   1.460  -0.327   2.060
  363   2HD1  LEU  43          2HD1      LEU  43   1.388  -2.055   2.410
  364   3HD1  LEU  43          3HD1      LEU  43   0.476  -1.392   1.054
  365   1HD2  LEU  43          1HD2      LEU  43  -0.303  -2.545   4.416
  366   2HD2  LEU  43          2HD2      LEU  43  -1.916  -2.185   3.800
  367   3HD2  LEU  43          3HD2      LEU  43  -0.763  -3.060   2.793
  368    H    ILE  44           H        ILE  44  -0.099   2.244   1.400
  369    HA   ILE  44           HA       ILE  44  -2.413   3.682   2.469
  370    HB   ILE  44           HB       ILE  44  -0.278   5.013   0.801
  371   1HG1  ILE  44          1HG1      ILE  44  -1.195   5.524   3.641
  372   2HG1  ILE  44          2HG1      ILE  44   0.325   4.766   3.175
  373   1HG2  ILE  44          1HG2      ILE  44  -2.984   5.952   1.720
  374   2HG2  ILE  44          2HG2      ILE  44  -1.712   7.056   1.199
  375   3HG2  ILE  44          3HG2      ILE  44  -2.361   5.864   0.073
  376   1HD1  ILE  44          1HD1      ILE  44   0.591   7.030   1.827
  377   2HD1  ILE  44          2HD1      ILE  44  -0.484   7.604   3.103
  378   3HD1  ILE  44          3HD1      ILE  44   1.065   6.869   3.518
  379    H    PHE  45           H        PHE  45  -4.111   3.837   1.099
  380    HA   PHE  45           HA       PHE  45  -3.743   2.935  -1.682
  381   1HB   PHE  45          1HB       PHE  45  -6.046   2.201   0.145
  382   2HB   PHE  45          2HB       PHE  45  -5.904   1.757  -1.551
  383    HD1  PHE  45           HD1      PHE  45  -5.216  -0.370  -2.006
  384    HD2  PHE  45           HD2      PHE  45  -3.898   1.480   1.591
  385    HE1  PHE  45           HE1      PHE  45  -4.072  -2.450  -1.359
  386    HE2  PHE  45           HE2      PHE  45  -2.747  -0.592   2.241
  387    HZ   PHE  45           HZ       PHE  45  -2.834  -2.561   0.766
  388    H    ALA  46           H        ALA  46  -5.123   3.913  -3.234
  389    HA   ALA  46           HA       ALA  46  -7.094   5.847  -2.357
  390   1HB   ALA  46          1HB       ALA  46  -5.136   7.207  -2.114
  391   2HB   ALA  46          2HB       ALA  46  -4.567   6.757  -3.722
  392   3HB   ALA  46          3HB       ALA  46  -6.017   7.746  -3.545
  393    H    GLY  47           H        GLY  47  -8.733   5.791  -3.724
  394   1HA   GLY  47          1HA       GLY  47  -9.983   5.226  -5.569
  395   2HA   GLY  47          2HA       GLY  47  -8.596   4.335  -6.168
  396    H    LYS  48           H        LYS  48 -10.629   6.386  -7.259
  397    HA   LYS  48           HA       LYS  48  -8.891   7.545  -9.188
  398   1HB   LYS  48          1HB       LYS  48 -11.225   6.880  -9.669
  399   2HB   LYS  48          2HB       LYS  48 -11.790   8.171  -8.617
  400   1HG   LYS  48          1HG       LYS  48 -11.948   8.839 -10.932
  401   2HG   LYS  48          2HG       LYS  48 -10.746   9.823 -10.097
  402   1HD   LYS  48          1HD       LYS  48  -8.962   8.429 -11.027
  403   2HD   LYS  48          2HD       LYS  48 -10.164   7.447 -11.863
  404   1HE   LYS  48          1HE       LYS  48  -9.156   9.080 -13.370
  405   2HE   LYS  48          2HE       LYS  48 -10.877   9.393 -13.147
  406   1HZ   LYS  48          1HZ       LYS  48  -9.026  10.779 -11.366
  407   2HZ   LYS  48          2HZ       LYS  48  -9.072  11.292 -12.978
  408   3HZ   LYS  48          3HZ       LYS  48 -10.481  11.313 -12.041
  409    H    GLN  49           H        GLN  49  -7.448   8.636  -7.673
  410    HA   GLN  49           HA       GLN  49  -8.302  10.895  -6.197
  411   1HB   GLN  49          1HB       GLN  49  -5.587  10.272  -7.386
  412   2HB   GLN  49          2HB       GLN  49  -5.905  11.529  -6.203
  413   1HG   GLN  49          1HG       GLN  49  -6.601   9.837  -4.587
  414   2HG   GLN  49          2HG       GLN  49  -6.278   8.575  -5.776
  415   1HE2  GLN  49          2HE2      GLN  49  -5.064  10.072  -3.149
  416   2HE2  GLN  49          1HE2      GLN  49  -3.377   9.796  -3.396
  417    H    LEU  50           H        LEU  50  -9.470  12.363  -7.269
  418    HA   LEU  50           HA       LEU  50  -9.509  13.042  -9.892
  419   1HB   LEU  50          1HB       LEU  50  -9.938  14.804  -7.492
  420   2HB   LEU  50          2HB       LEU  50 -10.246  15.349  -9.126
  421    HG   LEU  50           HG       LEU  50 -12.312  14.665  -8.044
  422   1HD1  LEU  50          1HD1      LEU  50 -11.141  12.965  -6.552
  423   2HD1  LEU  50          2HD1      LEU  50 -12.731  12.531  -7.180
  424   3HD1  LEU  50          3HD1      LEU  50 -11.275  11.850  -7.913
  425   1HD2  LEU  50          1HD2      LEU  50 -11.717  14.160 -10.531
  426   2HD2  LEU  50          2HD2      LEU  50 -11.779  12.479 -10.001
  427   3HD2  LEU  50          3HD2      LEU  50 -13.197  13.513  -9.823
  428    H    GLU  51           H        GLU  51  -7.321  12.857 -10.621
  429    HA   GLU  51           HA       GLU  51  -6.095  15.356 -11.088
  430   1HB   GLU  51          1HB       GLU  51  -5.326  15.154  -8.783
  431   2HB   GLU  51          2HB       GLU  51  -4.672  13.557  -9.117
  432   1HG   GLU  51          1HG       GLU  51  -3.066  14.533 -10.671
  433   2HG   GLU  51          2HG       GLU  51  -3.728  16.136 -10.352
  434    H1   GLY  -1           H1       GLY  -1  -3.510  -0.018  14.667
  435    H2   GLY  -1           H2       GLY  -1  -4.906  -0.533  13.865
  436    H3   GLY  -1           H3       GLY  -1  -5.028   0.222  15.374
  437   1HA   GLY  -1          1HA       GLY  -1  -5.198  -2.358  15.178
  438   2HA   GLY  -1          2HA       GLY  -1  -4.380  -1.606  16.536
  439    H    SER   0           H        SER   0  -4.095  -4.187  14.826
  440    HA   SER   0           HA       SER   0  -1.350  -4.561  15.256
  441   1HB   SER   0          1HB       SER   0  -3.212  -6.086  13.419
  442   2HB   SER   0          2HB       SER   0  -1.622  -6.639  13.945
  443    HG   SER   0           HG       SER   0  -4.014  -6.464  15.367
  444    H    MET   1           H        MET   1  -3.147  -3.853  12.282
  445    HA   MET   1           HA       MET   1  -0.840  -2.551  11.154
  446   1HB   MET   1          1HB       MET   1  -0.341  -4.839  10.551
  447   2HB   MET   1          2HB       MET   1  -1.961  -5.065   9.909
  448   1HG   MET   1          1HG       MET   1  -0.277  -4.778   8.156
  449   2HG   MET   1          2HG       MET   1  -1.518  -3.531   8.114
  450   1HE   MET   1          1HE       MET   1   0.802  -3.148   6.424
  451   2HE   MET   1          2HE       MET   1  -0.127  -1.672   6.696
  452   3HE   MET   1          3HE       MET   1   1.632  -1.649   6.845
  453    H    GLN   2           H        GLN   2  -2.934  -1.176  11.766
  454    HA   GLN   2           HA       GLN   2  -5.111  -1.121   9.998
  455   1HB   GLN   2          1HB       GLN   2  -5.493   1.160  10.856
  456   2HB   GLN   2          2HB       GLN   2  -5.171   0.015  12.149
  457   1HG   GLN   2          1HG       GLN   2  -2.824   0.806  12.195
  458   2HG   GLN   2          2HG       GLN   2  -3.253   2.027  11.002
  459   1HE2  GLN   2          2HE2      GLN   2  -5.881   1.545  12.956
  460   2HE2  GLN   2          1HE2      GLN   2  -5.621   2.822  14.086
  461    H    ILE   3           H        ILE   3  -5.290  -0.465   7.967
  462    HA   ILE   3           HA       ILE   3  -3.012   0.807   6.669
  463    HB   ILE   3           HB       ILE   3  -4.202   0.249   4.558
  464   1HG1  ILE   3          1HG1      ILE   3  -6.148  -1.148   6.405
  465   2HG1  ILE   3          2HG1      ILE   3  -6.497   0.291   5.456
  466   1HG2  ILE   3          1HG2      ILE   3  -3.627  -1.957   6.518
  467   2HG2  ILE   3          2HG2      ILE   3  -3.951  -2.244   4.809
  468   3HG2  ILE   3          3HG2      ILE   3  -2.553  -1.282   5.292
  469   1HD1  ILE   3          1HD1      ILE   3  -5.899  -1.130   3.422
  470   2HD1  ILE   3          2HD1      ILE   3  -6.037  -2.510   4.511
  471   3HD1  ILE   3          3HD1      ILE   3  -7.427  -1.458   4.238
  472    H    PHE   4           H        PHE   4  -3.022   2.826   5.876
  473    HA   PHE   4           HA       PHE   4  -5.365   4.490   6.367
  474   1HB   PHE   4          1HB       PHE   4  -2.559   5.184   5.464
  475   2HB   PHE   4          2HB       PHE   4  -3.837   6.366   5.711
  476    HD1  PHE   4           HD1      PHE   4  -2.565   3.452   7.682
  477    HD2  PHE   4           HD2      PHE   4  -3.494   7.605   7.595
  478    HE1  PHE   4           HE1      PHE   4  -1.946   3.637  10.056
  479    HE2  PHE   4           HE2      PHE   4  -2.876   7.797   9.968
  480    HZ   PHE   4           HZ       PHE   4  -2.099   5.812  11.201
  481    H    VAL   5           H        VAL   5  -6.731   5.142   4.785
  482    HA   VAL   5           HA       VAL   5  -5.851   5.063   2.000
  483    HB   VAL   5           HB       VAL   5  -8.286   3.547   2.951
  484   1HG1  VAL   5          1HG1      VAL   5  -7.698   4.680   0.437
  485   2HG1  VAL   5          2HG1      VAL   5  -7.499   2.935   0.278
  486   3HG1  VAL   5          3HG1      VAL   5  -9.024   3.598   0.862
  487   1HG2  VAL   5          1HG2      VAL   5  -5.509   2.737   2.469
  488   2HG2  VAL   5          2HG2      VAL   5  -6.770   1.966   3.433
  489   3HG2  VAL   5          3HG2      VAL   5  -6.723   1.726   1.687
  490    H    LYS   6           H        LYS   6  -6.963   6.412   0.636
  491    HA   LYS   6           HA       LYS   6  -8.912   8.202   1.915
  492   1HB   LYS   6          1HB       LYS   6  -7.196   8.638  -0.539
  493   2HB   LYS   6          2HB       LYS   6  -8.344   9.800   0.112
  494   1HG   LYS   6          1HG       LYS   6  -7.044   9.925   2.180
  495   2HG   LYS   6          2HG       LYS   6  -5.890   8.766   1.520
  496   1HD   LYS   6          1HD       LYS   6  -6.518  11.469   0.336
  497   2HD   LYS   6          2HD       LYS   6  -5.102  11.088   1.315
  498   1HE   LYS   6          1HE       LYS   6  -5.808   9.845  -1.340
  499   2HE   LYS   6          2HE       LYS   6  -4.566  11.067  -1.067
  500   1HZ   LYS   6          1HZ       LYS   6  -4.573   8.350   0.131
  501   2HZ   LYS   6          2HZ       LYS   6  -3.646   8.823  -1.202
  502   3HZ   LYS   6          3HZ       LYS   6  -3.363   9.518   0.315
  503    H    THR   7           H        THR   7 -10.976   8.126   1.272
  504    HA   THR   7           HA       THR   7 -11.836   6.214  -0.637
  505    HB   THR   7           HB       THR   7 -14.096   7.089  -0.251
  506    HG1  THR   7           HG1      THR   7 -14.428   8.960   0.813
  507   1HG2  THR   7          1HG2      THR   7 -12.280   6.513   2.046
  508   2HG2  THR   7          2HG2      THR   7 -13.950   6.978   2.371
  509   3HG2  THR   7          3HG2      THR   7 -13.607   5.552   1.392
  510    H    LEU   8           H        LEU   8 -14.001   7.674  -1.825
  511    HA   LEU   8           HA       LEU   8 -12.841   8.430  -4.254
  512   1HB   LEU   8          1HB       LEU   8 -15.561   8.974  -3.081
  513   2HB   LEU   8          2HB       LEU   8 -15.120   9.460  -4.705
  514    HG   LEU   8           HG       LEU   8 -14.835   7.150  -5.376
  515   1HD1  LEU   8          1HD1      LEU   8 -17.110   8.239  -5.307
  516   2HD1  LEU   8          2HD1      LEU   8 -17.096   6.475  -5.340
  517   3HD1  LEU   8          3HD1      LEU   8 -17.400   7.327  -3.826
  518   1HD2  LEU   8          1HD2      LEU   8 -15.231   6.594  -2.468
  519   2HD2  LEU   8          2HD2      LEU   8 -15.635   5.386  -3.685
  520   3HD2  LEU   8          3HD2      LEU   8 -13.985   5.993  -3.562
  521    H    THR   9           H        THR   9 -14.409  10.511  -1.813
  522    HA   THR   9           HA       THR   9 -13.479  12.915  -3.057
  523    HB   THR   9           HB       THR   9 -14.391  14.063  -1.079
  524    HG1  THR   9           HG1      THR   9 -14.617  12.983   0.721
  525   1HG2  THR   9          1HG2      THR   9 -15.976  12.061  -2.604
  526   2HG2  THR   9          2HG2      THR   9 -16.759  12.868  -1.244
  527   3HG2  THR   9          3HG2      THR   9 -16.103  13.820  -2.577
  528    H    GLY  10           H        GLY  10 -12.576  11.103  -0.136
  529   1HA   GLY  10          1HA       GLY  10 -10.291  12.888   0.262
  530   2HA   GLY  10          2HA       GLY  10  -9.951  11.204  -0.093
  531    H    LYS  11           H        LYS  11 -12.304  10.256   1.425
  532    HA   LYS  11           HA       LYS  11 -11.821  11.116   4.140
  533   1HB   LYS  11          1HB       LYS  11 -14.094  10.560   3.532
  534   2HB   LYS  11          2HB       LYS  11 -13.605   8.950   3.022
  535   1HG   LYS  11          1HG       LYS  11 -13.083   8.325   5.276
  536   2HG   LYS  11          2HG       LYS  11 -13.354   9.974   5.841
  537   1HD   LYS  11          1HD       LYS  11 -15.463   8.231   4.586
  538   2HD   LYS  11          2HD       LYS  11 -15.236   8.432   6.324
  539   1HE   LYS  11          1HE       LYS  11 -15.850  10.650   4.373
  540   2HE   LYS  11          2HE       LYS  11 -17.023   9.876   5.438
  541   1HZ   LYS  11          1HZ       LYS  11 -15.461  10.594   7.301
  542   2HZ   LYS  11          2HZ       LYS  11 -14.762  11.632   6.163
  543   3HZ   LYS  11          3HZ       LYS  11 -16.397  11.794   6.562
  544    H    THR  12           H        THR  12 -10.550  10.185   5.600
  545    HA   THR  12           HA       THR  12  -8.752   8.108   4.789
  546    HB   THR  12           HB       THR  12  -9.130   9.376   7.509
  547    HG1  THR  12           HG1      THR  12  -7.930  10.223   5.198
  548   1HG2  THR  12          1HG2      THR  12  -7.916   7.087   7.263
  549   2HG2  THR  12          2HG2      THR  12  -6.621   8.050   6.552
  550   3HG2  THR  12          3HG2      THR  12  -7.156   8.371   8.202
  551    H    ILE  13           H        ILE  13  -8.861   5.977   5.173
  552    HA   ILE  13           HA       ILE  13 -10.974   5.010   6.988
  553    HB   ILE  13           HB       ILE  13 -10.279   2.899   5.271
  554   1HG1  ILE  13          1HG1      ILE  13 -10.856   5.433   3.725
  555   2HG1  ILE  13          2HG1      ILE  13  -9.347   4.523   3.698
  556   1HG2  ILE  13          1HG2      ILE  13 -12.698   4.638   5.573
  557   2HG2  ILE  13          2HG2      ILE  13 -12.651   3.284   4.439
  558   3HG2  ILE  13          3HG2      ILE  13 -12.423   2.996   6.165
  559   1HD1  ILE  13          1HD1      ILE  13 -11.616   2.855   3.060
  560   2HD1  ILE  13          2HD1      ILE  13 -11.479   4.236   1.972
  561   3HD1  ILE  13          3HD1      ILE  13 -10.122   3.127   2.164
  562    H    THR  14           H        THR  14 -10.368   3.726   8.595
  563    HA   THR  14           HA       THR  14  -7.574   2.814   8.645
  564    HB   THR  14           HB       THR  14  -9.293   2.699  11.086
  565    HG1  THR  14           HG1      THR  14  -9.633   4.789  10.975
  566   1HG2  THR  14          1HG2      THR  14  -6.427   2.876  10.371
  567   2HG2  THR  14          2HG2      THR  14  -6.926   3.719  11.839
  568   3HG2  THR  14          3HG2      THR  14  -7.217   1.988  11.674
  569    H    LEU  15           H        LEU  15  -7.113   0.655   8.751
  570    HA   LEU  15           HA       LEU  15  -9.098  -1.268   9.542
  571   1HB   LEU  15          1HB       LEU  15 -10.034  -1.164   7.460
  572   2HB   LEU  15          2HB       LEU  15  -8.545  -0.665   6.692
  573    HG   LEU  15           HG       LEU  15  -7.715  -2.983   6.807
  574   1HD1  LEU  15          1HD1      LEU  15 -10.316  -2.401   5.439
  575   2HD1  LEU  15          2HD1      LEU  15  -8.686  -2.437   4.761
  576   3HD1  LEU  15          3HD1      LEU  15  -9.484  -3.942   5.223
  577   1HD2  LEU  15          1HD2      LEU  15  -9.852  -3.305   8.637
  578   2HD2  LEU  15          2HD2      LEU  15 -10.138  -4.372   7.262
  579   3HD2  LEU  15          3HD2      LEU  15  -8.623  -4.474   8.158
  580    H    GLU  16           H        GLU  16  -7.935  -2.597  10.733
  581    HA   GLU  16           HA       GLU  16  -5.134  -3.033  10.289
  582   1HB   GLU  16          1HB       GLU  16  -5.275  -4.497  12.253
  583   2HB   GLU  16          2HB       GLU  16  -6.030  -2.940  12.559
  584   1HG   GLU  16          1HG       GLU  16  -8.230  -3.929  12.201
  585   2HG   GLU  16          2HG       GLU  16  -7.478  -5.490  11.882
  586    H    VAL  17           H        VAL  17  -4.125  -4.871   9.562
  587    HA   VAL  17           HA       VAL  17  -5.529  -7.289   8.992
  588    HB   VAL  17           HB       VAL  17  -6.313  -5.861   7.115
  589   1HG1  VAL  17          1HG1      VAL  17  -6.084  -8.325   6.929
  590   2HG1  VAL  17          2HG1      VAL  17  -5.950  -7.476   5.390
  591   3HG1  VAL  17          3HG1      VAL  17  -4.501  -8.079   6.193
  592   1HG2  VAL  17          1HG2      VAL  17  -4.068  -4.614   7.034
  593   2HG2  VAL  17          2HG2      VAL  17  -3.529  -5.952   6.017
  594   3HG2  VAL  17          3HG2      VAL  17  -4.894  -4.953   5.512
  595    H    GLU  18           H        GLU  18  -4.126  -8.957   8.860
  596    HA   GLU  18           HA       GLU  18  -1.494  -8.669   9.646
  597   1HB   GLU  18          1HB       GLU  18  -2.695 -10.956   8.084
  598   2HB   GLU  18          2HB       GLU  18  -1.201 -11.019   9.007
  599   1HG   GLU  18          1HG       GLU  18  -2.446 -10.573  11.058
  600   2HG   GLU  18          2HG       GLU  18  -3.944 -10.505  10.130
  601    HA   PRO  19           HA       PRO  19   0.713  -7.183   6.101
  602   1HB   PRO  19          1HB       PRO  19   3.132  -8.384   6.778
  603   2HB   PRO  19          2HB       PRO  19   2.590  -6.801   7.323
  604   1HG   PRO  19          1HG       PRO  19   2.502  -9.419   8.731
  605   2HG   PRO  19          2HG       PRO  19   2.807  -7.801   9.386
  606   1HD   PRO  19          1HD       PRO  19   0.444  -9.030   9.714
  607   2HD   PRO  19          2HD       PRO  19   0.547  -7.272   9.476
  608    H    SER  20           H        SER  20   0.994 -10.529   7.156
  609    HA   SER  20           HA       SER  20   2.091 -11.585   4.795
  610   1HB   SER  20          1HB       SER  20   2.132 -12.776   6.928
  611   2HB   SER  20          2HB       SER  20   0.376 -12.920   6.897
  612    HG   SER  20           HG       SER  20   1.828 -13.885   4.712
  613    H    ASP  21           H        ASP  21  -1.162 -10.730   5.685
  614    HA   ASP  21           HA       ASP  21  -2.634 -12.272   3.893
  615   1HB   ASP  21          1HB       ASP  21  -3.608 -10.829   5.680
  616   2HB   ASP  21          2HB       ASP  21  -3.210  -9.415   4.710
  617    H    THR  22           H        THR  22  -3.039 -12.166   1.748
  618    HA   THR  22           HA       THR  22  -1.257 -10.902   0.023
  619    HB   THR  22           HB       THR  22  -4.044 -11.793  -0.707
  620    HG1  THR  22           HG1      THR  22  -1.694 -13.226  -0.133
  621   1HG2  THR  22          1HG2      THR  22  -1.508 -11.360  -2.259
  622   2HG2  THR  22          2HG2      THR  22  -2.835 -12.345  -2.873
  623   3HG2  THR  22          3HG2      THR  22  -3.093 -10.635  -2.529
  624    H    ILE  23           H        ILE  23  -1.485  -9.182  -1.425
  625    HA   ILE  23           HA       ILE  23  -2.620  -6.840  -0.373
  626    HB   ILE  23           HB       ILE  23  -1.731  -7.372  -3.211
  627   1HG1  ILE  23          1HG1      ILE  23  -0.236  -6.187  -0.858
  628   2HG1  ILE  23          2HG1      ILE  23   0.035  -7.784  -1.543
  629   1HG2  ILE  23          1HG2      ILE  23  -2.905  -5.055  -1.933
  630   2HG2  ILE  23          2HG2      ILE  23  -1.312  -4.699  -2.599
  631   3HG2  ILE  23          3HG2      ILE  23  -2.575  -5.356  -3.639
  632   1HD1  ILE  23          1HD1      ILE  23   0.392  -5.231  -3.085
  633   2HD1  ILE  23          2HD1      ILE  23   1.691  -6.056  -2.224
  634   3HD1  ILE  23          3HD1      ILE  23   0.874  -6.858  -3.566
  635    H    GLU  24           H        GLU  24  -3.722  -8.974  -2.996
  636    HA   GLU  24           HA       GLU  24  -5.882  -7.440  -3.863
  637   1HB   GLU  24          1HB       GLU  24  -6.798  -9.517  -4.782
  638   2HB   GLU  24          2HB       GLU  24  -5.074  -9.387  -5.096
  639   1HG   GLU  24          1HG       GLU  24  -4.624 -10.916  -3.245
  640   2HG   GLU  24          2HG       GLU  24  -6.352 -11.045  -2.932
  641    H    ASN  25           H        ASN  25  -5.595  -9.583  -1.102
  642    HA   ASN  25           HA       ASN  25  -8.389  -9.673  -0.532
  643   1HB   ASN  25          1HB       ASN  25  -5.951 -10.351   1.109
  644   2HB   ASN  25          2HB       ASN  25  -7.593 -10.536   1.715
  645   1HD2  ASN  25          2HD2      ASN  25  -5.101 -12.077   0.209
  646   2HD2  ASN  25          1HD2      ASN  25  -5.968 -13.390  -0.500
  647    H    VAL  26           H        VAL  26  -5.670  -7.869   0.917
  648    HA   VAL  26           HA       VAL  26  -7.172  -6.474   2.812
  649    HB   VAL  26           HB       VAL  26  -5.353  -4.856   2.896
  650   1HG1  VAL  26          1HG1      VAL  26  -5.210  -7.465   3.569
  651   2HG1  VAL  26          2HG1      VAL  26  -3.796  -7.317   2.526
  652   3HG1  VAL  26          3HG1      VAL  26  -3.961  -6.276   3.940
  653   1HG2  VAL  26          1HG2      VAL  26  -5.011  -4.775   0.408
  654   2HG2  VAL  26          2HG2      VAL  26  -3.539  -4.810   1.379
  655   3HG2  VAL  26          3HG2      VAL  26  -4.095  -6.273   0.566
  656    H    LYS  27           H        LYS  27  -6.520  -5.775  -0.576
  657    HA   LYS  27           HA       LYS  27  -7.603  -3.164  -0.623
  658   1HB   LYS  27          1HB       LYS  27  -7.343  -5.194  -2.849
  659   2HB   LYS  27          2HB       LYS  27  -7.702  -3.490  -3.075
  660   1HG   LYS  27          1HG       LYS  27  -5.548  -2.871  -2.192
  661   2HG   LYS  27          2HG       LYS  27  -5.188  -4.555  -1.810
  662   1HD   LYS  27          1HD       LYS  27  -4.063  -3.915  -3.856
  663   2HD   LYS  27          2HD       LYS  27  -5.317  -5.104  -4.208
  664   1HE   LYS  27          1HE       LYS  27  -6.818  -3.308  -4.920
  665   2HE   LYS  27          2HE       LYS  27  -5.561  -2.120  -4.571
  666   1HZ   LYS  27          1HZ       LYS  27  -4.498  -4.094  -6.259
  667   2HZ   LYS  27          2HZ       LYS  27  -5.956  -3.558  -6.927
  668   3HZ   LYS  27          3HZ       LYS  27  -4.728  -2.447  -6.578
  669    H    ALA  28           H        ALA  28  -8.999  -6.347  -1.298
  670    HA   ALA  28           HA       ALA  28 -11.505  -5.510  -2.193
  671   1HB   ALA  28          1HB       ALA  28 -11.843  -7.687  -2.426
  672   2HB   ALA  28          2HB       ALA  28 -10.257  -7.948  -1.698
  673   3HB   ALA  28          3HB       ALA  28 -11.704  -7.957  -0.688
  674    H    LYS  29           H        LYS  29 -10.201  -5.630   1.021
  675    HA   LYS  29           HA       LYS  29 -12.712  -5.593   2.390
  676   1HB   LYS  29          1HB       LYS  29 -10.050  -4.634   3.449
  677   2HB   LYS  29          2HB       LYS  29 -11.429  -5.203   4.377
  678   1HG   LYS  29          1HG       LYS  29 -11.116  -7.449   3.458
  679   2HG   LYS  29          2HG       LYS  29  -9.719  -6.866   2.549
  680   1HD   LYS  29          1HD       LYS  29  -8.597  -6.284   4.644
  681   2HD   LYS  29          2HD       LYS  29  -9.994  -6.858   5.555
  682   1HE   LYS  29          1HE       LYS  29  -8.250  -8.528   3.747
  683   2HE   LYS  29          2HE       LYS  29  -8.209  -8.526   5.510
  684   1HZ   LYS  29          1HZ       LYS  29 -10.534  -9.284   5.487
  685   2HZ   LYS  29          2HZ       LYS  29 -10.478  -9.383   3.799
  686   3HZ   LYS  29          3HZ       LYS  29  -9.490 -10.384   4.737
  687    H    ILE  30           H        ILE  30 -10.372  -3.205   1.312
  688    HA   ILE  30           HA       ILE  30 -11.460  -0.954   2.550
  689    HB   ILE  30           HB       ILE  30  -9.991  -1.098  -0.081
  690   1HG1  ILE  30          1HG1      ILE  30  -8.971  -0.599   2.727
  691   2HG1  ILE  30          2HG1      ILE  30  -8.779  -2.102   1.834
  692   1HG2  ILE  30          1HG2      ILE  30 -10.801   1.174   1.701
  693   2HG2  ILE  30          2HG2      ILE  30  -9.341   1.291   0.716
  694   3HG2  ILE  30          3HG2      ILE  30 -10.906   1.038  -0.057
  695   1HD1  ILE  30          1HD1      ILE  30  -7.663   0.551   0.971
  696   2HD1  ILE  30          2HD1      ILE  30  -6.762  -0.698   1.832
  697   3HD1  ILE  30          3HD1      ILE  30  -7.383  -1.016   0.212
  698    H    GLN  31           H        GLN  31 -12.248  -2.439  -0.601
  699    HA   GLN  31           HA       GLN  31 -14.060  -0.399  -1.380
  700   1HB   GLN  31          1HB       GLN  31 -14.853  -1.924  -3.069
  701   2HB   GLN  31          2HB       GLN  31 -13.109  -2.084  -2.962
  702   1HG   GLN  31          1HG       GLN  31 -13.396  -4.102  -1.600
  703   2HG   GLN  31          2HG       GLN  31 -15.142  -3.940  -1.754
  704   1HE2  GLN  31          2HE2      GLN  31 -13.933  -2.899  -4.606
  705   2HE2  GLN  31          1HE2      GLN  31 -13.980  -4.374  -5.499
  706    H    ASP  32           H        ASP  32 -14.328  -3.408   0.420
  707    HA   ASP  32           HA       ASP  32 -17.125  -3.411   0.747
  708   1HB   ASP  32          1HB       ASP  32 -15.729  -5.370   1.299
  709   2HB   ASP  32          2HB       ASP  32 -14.982  -4.465   2.613
  710    H    LYS  33           H        LYS  33 -14.482  -1.789   2.256
  711    HA   LYS  33           HA       LYS  33 -15.904  -0.694   4.470
  712   1HB   LYS  33          1HB       LYS  33 -13.228  -0.120   3.211
  713   2HB   LYS  33          2HB       LYS  33 -13.834   0.813   4.574
  714   1HG   LYS  33          1HG       LYS  33 -13.396  -2.167   4.560
  715   2HG   LYS  33          2HG       LYS  33 -12.295  -0.974   5.251
  716   1HD   LYS  33          1HD       LYS  33 -15.150  -1.424   6.119
  717   2HD   LYS  33          2HD       LYS  33 -13.719  -2.029   6.958
  718   1HE   LYS  33          1HE       LYS  33 -12.955   0.269   7.309
  719   2HE   LYS  33          2HE       LYS  33 -14.387   0.872   6.475
  720   1HZ   LYS  33          1HZ       LYS  33 -15.736  -0.246   8.205
  721   2HZ   LYS  33          2HZ       LYS  33 -14.311  -0.620   9.039
  722   3HZ   LYS  33          3HZ       LYS  33 -14.760   0.996   8.811
  723    H    GLU  34           H        GLU  34 -15.254   0.287   1.179
  724    HA   GLU  34           HA       GLU  34 -17.005   2.609   1.583
  725   1HB   GLU  34          1HB       GLU  34 -14.709   3.450   1.584
  726   2HB   GLU  34          2HB       GLU  34 -14.394   2.638   0.057
  727   1HG   GLU  34          1HG       GLU  34 -14.758   4.972  -0.343
  728   2HG   GLU  34          2HG       GLU  34 -16.100   4.052  -1.017
  729    H    GLY  35           H        GLY  35 -15.191   1.120  -1.130
  730   1HA   GLY  35          1HA       GLY  35 -17.580   1.351  -2.786
  731   2HA   GLY  35          2HA       GLY  35 -17.021  -0.279  -2.458
  732    H    ILE  36           H        ILE  36 -14.742   2.309  -2.789
  733    HA   ILE  36           HA       ILE  36 -14.297   2.408  -5.490
  734    HB   ILE  36           HB       ILE  36 -11.726   2.503  -4.444
  735   1HG1  ILE  36          1HG1      ILE  36 -12.010   4.004  -2.461
  736   2HG1  ILE  36          2HG1      ILE  36 -13.722   3.593  -2.448
  737   1HG2  ILE  36          1HG2      ILE  36 -13.812   4.455  -5.228
  738   2HG2  ILE  36          2HG2      ILE  36 -12.354   5.059  -4.439
  739   3HG2  ILE  36          3HG2      ILE  36 -12.228   4.131  -5.936
  740   1HD1  ILE  36          1HD1      ILE  36 -12.768   1.136  -2.354
  741   2HD1  ILE  36          2HD1      ILE  36 -11.374   1.967  -1.665
  742   3HD1  ILE  36          3HD1      ILE  36 -12.956   2.119  -0.902
  743    HA   PRO  37           HA       PRO  37 -13.087  -1.711  -6.683
  744   1HB   PRO  37          1HB       PRO  37 -11.828  -0.093  -8.855
  745   2HB   PRO  37          2HB       PRO  37 -12.849  -1.530  -8.977
  746   1HG   PRO  37          1HG       PRO  37 -13.853   0.856  -9.525
  747   2HG   PRO  37          2HG       PRO  37 -14.807  -0.316  -8.594
  748   1HD   PRO  37          1HD       PRO  37 -13.305   2.089  -7.646
  749   2HD   PRO  37          2HD       PRO  37 -14.872   1.453  -7.107
  750    HA   PRO  38           HA       PRO  38  -8.964  -1.979  -5.060
  751   1HB   PRO  38          1HB       PRO  38  -8.140  -4.194  -6.514
  752   2HB   PRO  38          2HB       PRO  38  -9.035  -4.250  -4.995
  753   1HG   PRO  38          1HG       PRO  38 -10.037  -4.498  -7.797
  754   2HG   PRO  38          2HG       PRO  38 -10.540  -5.377  -6.344
  755   1HD   PRO  38          1HD       PRO  38 -12.019  -3.383  -7.347
  756   2HD   PRO  38          2HD       PRO  38 -11.867  -3.627  -5.595
  757    H    ASP  39           H        ASP  39  -9.477  -2.209  -8.552
  758    HA   ASP  39           HA       ASP  39  -6.827  -1.762  -9.350
  759   1HB   ASP  39          1HB       ASP  39  -7.809  -1.114 -11.535
  760   2HB   ASP  39          2HB       ASP  39  -8.461  -2.626 -10.911
  761    H    GLN  40           H        GLN  40  -9.453   0.478  -8.592
  762    HA   GLN  40           HA       GLN  40  -8.129   2.806  -9.485
  763   1HB   GLN  40          1HB       GLN  40 -10.322   2.450  -7.441
  764   2HB   GLN  40          2HB       GLN  40  -9.780   4.010  -8.044
  765   1HG   GLN  40          1HG       GLN  40 -10.451   3.387 -10.298
  766   2HG   GLN  40          2HG       GLN  40 -10.964   1.806  -9.716
  767   1HE2  GLN  40          2HE2      GLN  40 -11.676   3.867  -7.293
  768   2HE2  GLN  40          1HE2      GLN  40 -13.307   4.261  -7.701
  769    H    GLN  41           H        GLN  41  -8.289   1.182  -6.358
  770    HA   GLN  41           HA       GLN  41  -6.993   3.077  -4.786
  771   1HB   GLN  41          1HB       GLN  41  -6.908   0.063  -4.580
  772   2HB   GLN  41          2HB       GLN  41  -6.423   1.173  -3.308
  773   1HG   GLN  41          1HG       GLN  41  -8.665   2.008  -3.107
  774   2HG   GLN  41          2HG       GLN  41  -9.185   1.057  -4.495
  775   1HE2  GLN  41          2HE2      GLN  41 -10.366  -0.596  -3.909
  776   2HE2  GLN  41          1HE2      GLN  41 -10.129  -1.582  -2.510
  777    H    ARG  42           H        ARG  42  -4.938   3.740  -4.593
  778    HA   ARG  42           HA       ARG  42  -2.927   2.411  -6.239
  779   1HB   ARG  42          1HB       ARG  42  -2.974   5.221  -5.153
  780   2HB   ARG  42          2HB       ARG  42  -1.689   4.541  -6.140
  781   1HG   ARG  42          1HG       ARG  42  -3.242   4.271  -7.998
  782   2HG   ARG  42          2HG       ARG  42  -4.549   4.920  -7.006
  783   1HD   ARG  42          1HD       ARG  42  -3.349   7.037  -6.798
  784   2HD   ARG  42          2HD       ARG  42  -2.029   6.390  -7.772
  785    HE   ARG  42           HE       ARG  42  -4.398   7.552  -8.745
  786   1HH1  ARG  42          1HH1      ARG  42  -2.267   4.862  -9.357
  787   2HH1  ARG  42          2HH1      ARG  42  -2.649   4.778 -11.043
  788   1HH2  ARG  42          1HH2      ARG  42  -4.903   7.449 -10.964
  789   2HH2  ARG  42          2HH2      ARG  42  -4.146   6.249 -11.957
  790    H    LEU  43           H        LEU  43  -1.120   1.544  -5.374
  791    HA   LEU  43           HA       LEU  43  -0.936   1.340  -2.514
  792   1HB   LEU  43          1HB       LEU  43   0.789   0.312  -4.755
  793   2HB   LEU  43          2HB       LEU  43   1.224   0.105  -3.071
  794    HG   LEU  43           HG       LEU  43  -1.176  -1.038  -4.485
  795   1HD1  LEU  43          1HD1      LEU  43  -1.768  -0.225  -2.231
  796   2HD1  LEU  43          2HD1      LEU  43  -1.850  -1.983  -2.370
  797   3HD1  LEU  43          3HD1      LEU  43  -0.479  -1.224  -1.559
  798   1HD2  LEU  43          1HD2      LEU  43   1.457  -1.974  -4.016
  799   2HD2  LEU  43          2HD2      LEU  43   0.361  -2.912  -3.002
  800   3HD2  LEU  43          3HD2      LEU  43   0.100  -2.834  -4.744
  801    H    ILE  44           H        ILE  44   0.303   2.462  -1.155
  802    HA   ILE  44           HA       ILE  44   2.520   4.050  -2.191
  803    HB   ILE  44           HB       ILE  44   0.293   5.246  -0.543
  804   1HG1  ILE  44          1HG1      ILE  44   1.217   5.822  -3.369
  805   2HG1  ILE  44          2HG1      ILE  44  -0.267   4.988  -2.925
  806   1HG2  ILE  44          1HG2      ILE  44   2.965   6.322  -1.406
  807   2HG2  ILE  44          2HG2      ILE  44   1.629   7.368  -0.925
  808   3HG2  ILE  44          3HG2      ILE  44   2.303   6.213   0.225
  809   1HD1  ILE  44          1HD1      ILE  44  -0.685   7.218  -1.579
  810   2HD1  ILE  44          2HD1      ILE  44   0.402   7.864  -2.811
  811   3HD1  ILE  44          3HD1      ILE  44  -1.094   7.060  -3.288
  812    H    PHE  45           H        PHE  45   4.232   3.942  -0.898
  813    HA   PHE  45           HA       PHE  45   3.827   3.116   1.901
  814   1HB   PHE  45          1HB       PHE  45   6.115   2.360   0.068
  815   2HB   PHE  45          2HB       PHE  45   5.985   1.922   1.767
  816    HD1  PHE  45           HD1      PHE  45   5.320  -0.215   2.207
  817    HD2  PHE  45           HD2      PHE  45   3.890   1.684  -1.323
  818    HE1  PHE  45           HE1      PHE  45   4.134  -2.278   1.579
  819    HE2  PHE  45           HE2      PHE  45   2.700  -0.373  -1.954
  820    HZ   PHE  45           HZ       PHE  45   2.822  -2.358  -0.502
  821    H    ALA  46           H        ALA  46   5.050   4.161   3.479
  822    HA   ALA  46           HA       ALA  46   7.095   6.057   2.641
  823   1HB   ALA  46          1HB       ALA  46   5.142   7.420   2.385
  824   2HB   ALA  46          2HB       ALA  46   4.549   6.954   3.979
  825   3HB   ALA  46          3HB       ALA  46   6.001   7.946   3.833
  826    H    GLY  47           H        GLY  47   8.712   6.019   4.038
  827   1HA   GLY  47          1HA       GLY  47   9.935   5.461   5.902
  828   2HA   GLY  47          2HA       GLY  47   8.561   4.518   6.451
  829    H    LYS  48           H        LYS  48  10.500   6.574   7.657
  830    HA   LYS  48           HA       LYS  48   8.669   7.662   9.541
  831   1HB   LYS  48          1HB       LYS  48  10.973   7.026  10.128
  832   2HB   LYS  48          2HB       LYS  48  11.587   8.306   9.092
  833   1HG   LYS  48          1HG       LYS  48  11.657   8.990  11.407
  834   2HG   LYS  48          2HG       LYS  48  10.496   9.975  10.516
  835   1HD   LYS  48          1HD       LYS  48   8.665   8.601  11.384
  836   2HD   LYS  48          2HD       LYS  48   9.826   7.616  12.274
  837   1HE   LYS  48          1HE       LYS  48   8.780   9.262  13.733
  838   2HE   LYS  48          2HE       LYS  48  10.507   9.573  13.565
  839   1HZ   LYS  48          1HZ       LYS  48   8.709  10.946  11.718
  840   2HZ   LYS  48          2HZ       LYS  48   8.714  11.473  13.325
  841   3HZ   LYS  48          3HZ       LYS  48  10.148  11.483  12.427
  842    H    GLN  49           H        GLN  49   7.270   8.786   7.999
  843    HA   GLN  49           HA       GLN  49   8.161  11.063   6.581
  844   1HB   GLN  49          1HB       GLN  49   5.415  10.430   7.691
  845   2HB   GLN  49          2HB       GLN  49   5.764  11.702   6.531
  846   1HG   GLN  49          1HG       GLN  49   6.498  10.032   4.912
  847   2HG   GLN  49          2HG       GLN  49   6.155   8.754   6.077
  848   1HE2  GLN  49          2HE2      GLN  49   4.994  10.254   3.436
  849   2HE2  GLN  49          1HE2      GLN  49   3.302   9.976   3.644
  850    H    LEU  50           H        LEU  50   9.176  12.663   7.580
  851    HA   LEU  50           HA       LEU  50   9.203  13.292  10.246
  852   1HB   LEU  50          1HB       LEU  50   9.608  15.082   7.859
  853   2HB   LEU  50          2HB       LEU  50   9.894  15.615   9.502
  854    HG   LEU  50           HG       LEU  50  11.986  14.997   8.436
  855   1HD1  LEU  50          1HD1      LEU  50  10.803  13.268   6.928
  856   2HD1  LEU  50          2HD1      LEU  50  12.452  12.949   7.463
  857   3HD1  LEU  50          3HD1      LEU  50  11.097  12.148   8.257
  858   1HD2  LEU  50          1HD2      LEU  50  11.387  14.429  10.903
  859   2HD2  LEU  50          2HD2      LEU  50  11.473  12.759  10.340
  860   3HD2  LEU  50          3HD2      LEU  50  12.879  13.813  10.194
  861    H    GLU  51           H        GLU  51   7.003  13.044  10.939
  862    HA   GLU  51           HA       GLU  51   5.702  15.515  11.371
  863   1HB   GLU  51          1HB       GLU  51   5.006  15.204   9.026
  864   2HB   GLU  51          2HB       GLU  51   4.304  13.649   9.445
  865   1HG   GLU  51          1HG       GLU  51   2.724  14.770  10.940
  866   2HG   GLU  51          2HG       GLU  51   3.424  16.327  10.499

  No H/Q in entry =         866
  Start of MODEL    8
    1    H1   GLY  -1           H1       GLY  -1   4.136   0.618 -17.887
    2    H2   GLY  -1           H2       GLY  -1   5.803   0.521 -18.160
    3    H3   GLY  -1           H3       GLY  -1   4.807  -0.797 -18.527
    4   1HA   GLY  -1          1HA       GLY  -1   5.421   0.273 -15.828
    5   2HA   GLY  -1          2HA       GLY  -1   5.969  -1.255 -16.494
    6    H    SER   0           H        SER   0   5.011  -2.750 -15.256
    7    HA   SER   0           HA       SER   0   2.228  -3.226 -15.524
    8   1HB   SER   0          1HB       SER   0   4.242  -4.481 -13.645
    9   2HB   SER   0          2HB       SER   0   2.625  -5.103 -13.967
   10    HG   SER   0           HG       SER   0   3.356  -5.128 -16.252
   11    H    MET   1           H        MET   1   2.317  -4.144 -12.524
   12    HA   MET   1           HA       MET   1   0.820  -1.895 -11.551
   13   1HB   MET   1          1HB       MET   1   0.109  -4.167 -11.026
   14   2HB   MET   1          2HB       MET   1   1.633  -4.479 -10.207
   15   1HG   MET   1          1HG       MET   1   1.091  -2.843  -8.510
   16   2HG   MET   1          2HG       MET   1  -0.405  -2.437  -9.351
   17   1HE   MET   1          1HE       MET   1  -0.194  -2.920  -6.504
   18   2HE   MET   1          2HE       MET   1  -1.912  -3.127  -6.849
   19   3HE   MET   1          3HE       MET   1  -1.051  -4.341  -5.902
   20    H    GLN   2           H        GLN   2   3.086  -0.713 -11.976
   21    HA   GLN   2           HA       GLN   2   5.053  -0.904  -9.958
   22   1HB   GLN   2          1HB       GLN   2   5.849   1.261 -10.841
   23   2HB   GLN   2          2HB       GLN   2   5.573   0.074 -12.103
   24   1HG   GLN   2          1HG       GLN   2   3.404   1.135 -12.587
   25   2HG   GLN   2          2HG       GLN   2   3.760   2.361 -11.375
   26   1HE2  GLN   2          2HE2      GLN   2   6.633   1.557 -12.755
   27   2HE2  GLN   2          1HE2      GLN   2   6.715   2.771 -13.979
   28    H    ILE   3           H        ILE   3   4.679  -0.552  -7.901
   29    HA   ILE   3           HA       ILE   3   2.608   1.171  -6.930
   30    HB   ILE   3           HB       ILE   3   3.578   0.601  -4.682
   31   1HG1  ILE   3          1HG1      ILE   3   5.395  -1.142  -6.351
   32   2HG1  ILE   3          2HG1      ILE   3   5.896   0.250  -5.403
   33   1HG2  ILE   3          1HG2      ILE   3   1.908  -0.796  -6.226
   34   2HG2  ILE   3          2HG2      ILE   3   3.190  -1.991  -6.038
   35   3HG2  ILE   3          3HG2      ILE   3   2.394  -1.322  -4.614
   36   1HD1  ILE   3          1HD1      ILE   3   4.458  -1.662  -3.791
   37   2HD1  ILE   3          2HD1      ILE   3   5.854  -2.389  -4.592
   38   3HD1  ILE   3          3HD1      ILE   3   6.067  -0.970  -3.567
   39    H    PHE   4           H        PHE   4   2.774   3.138  -5.945
   40    HA   PHE   4           HA       PHE   4   5.240   4.615  -6.411
   41   1HB   PHE   4          1HB       PHE   4   2.494   5.501  -5.503
   42   2HB   PHE   4          2HB       PHE   4   3.861   6.591  -5.686
   43    HD1  PHE   4           HD1      PHE   4   2.424   3.850  -7.787
   44    HD2  PHE   4           HD2      PHE   4   3.628   7.924  -7.525
   45    HE1  PHE   4           HE1      PHE   4   1.860   4.166 -10.160
   46    HE2  PHE   4           HE2      PHE   4   3.065   8.247  -9.898
   47    HZ   PHE   4           HZ       PHE   4   2.179   6.366 -11.219
   48    H    VAL   5           H        VAL   5   6.636   5.204  -4.838
   49    HA   VAL   5           HA       VAL   5   5.802   5.169  -2.050
   50    HB   VAL   5           HB       VAL   5   6.462   2.904  -2.214
   51   1HG1  VAL   5          1HG1      VAL   5   8.671   4.586  -1.063
   52   2HG1  VAL   5          2HG1      VAL   5   7.319   3.830  -0.218
   53   3HG1  VAL   5          3HG1      VAL   5   8.609   2.833  -0.890
   54   1HG2  VAL   5          1HG2      VAL   5   8.621   3.958  -3.959
   55   2HG2  VAL   5          2HG2      VAL   5   8.923   2.479  -3.047
   56   3HG2  VAL   5          3HG2      VAL   5   7.570   2.558  -4.176
   57    H    LYS   6           H        LYS   6   6.849   6.646  -0.842
   58    HA   LYS   6           HA       LYS   6   8.973   8.178  -2.167
   59   1HB   LYS   6          1HB       LYS   6   7.269   8.875   0.233
   60   2HB   LYS   6          2HB       LYS   6   8.473   9.927  -0.498
   61   1HG   LYS   6          1HG       LYS   6   7.177   9.973  -2.572
   62   2HG   LYS   6          2HG       LYS   6   5.968   8.920  -1.833
   63   1HD   LYS   6          1HD       LYS   6   6.733  11.662  -0.834
   64   2HD   LYS   6          2HD       LYS   6   5.296  11.289  -1.788
   65   1HE   LYS   6          1HE       LYS   6   4.511   9.796  -0.016
   66   2HE   LYS   6          2HE       LYS   6   5.944  10.170   0.937
   67   1HZ   LYS   6          1HZ       LYS   6   4.132  12.315   0.037
   68   2HZ   LYS   6          2HZ       LYS   6   3.787  11.424   1.433
   69   3HZ   LYS   6          3HZ       LYS   6   5.220  12.318   1.334
   70    H    THR   7           H        THR   7  11.021   8.181  -1.419
   71    HA   THR   7           HA       THR   7  11.818   6.305   0.552
   72    HB   THR   7           HB       THR   7  14.073   7.293   0.324
   73    HG1  THR   7           HG1      THR   7  12.611   9.267  -1.073
   74   1HG2  THR   7          1HG2      THR   7  12.541   6.739  -2.208
   75   2HG2  THR   7          2HG2      THR   7  14.290   6.957  -2.176
   76   3HG2  THR   7          3HG2      THR   7  13.550   5.629  -1.281
   77    H    LEU   8           H        LEU   8  13.843   7.815   1.911
   78    HA   LEU   8           HA       LEU   8  12.161   9.005   3.961
   79   1HB   LEU   8          1HB       LEU   8  15.133   8.477   3.980
   80   2HB   LEU   8          2HB       LEU   8  14.177   9.010   5.350
   81    HG   LEU   8           HG       LEU   8  12.839   6.794   4.920
   82   1HD1  LEU   8          1HD1      LEU   8  15.340   7.346   6.367
   83   2HD1  LEU   8          2HD1      LEU   8  13.801   6.715   6.953
   84   3HD1  LEU   8          3HD1      LEU   8  14.947   5.640   6.152
   85   1HD2  LEU   8          1HD2      LEU   8  15.203   6.525   3.191
   86   2HD2  LEU   8          2HD2      LEU   8  14.859   5.143   4.232
   87   3HD2  LEU   8          3HD2      LEU   8  13.633   5.726   3.105
   88    H    THR   9           H        THR   9  14.945   9.903   1.945
   89    HA   THR   9           HA       THR   9  15.022  12.596   2.874
   90    HB   THR   9           HB       THR   9  17.035  11.626   1.965
   91    HG1  THR   9           HG1      THR   9  17.621  13.385   0.801
   92   1HG2  THR   9          1HG2      THR   9  15.466  11.361  -0.600
   93   2HG2  THR   9          2HG2      THR   9  17.214  11.169  -0.482
   94   3HG2  THR   9          3HG2      THR   9  16.146  10.057   0.374
   95    H    GLY  10           H        GLY  10  13.716  11.053  -0.062
   96   1HA   GLY  10          1HA       GLY  10  12.710  13.582  -1.050
   97   2HA   GLY  10          2HA       GLY  10  11.472  12.517  -0.404
   98    H    LYS  11           H        LYS  11  14.327  11.351  -2.063
   99    HA   LYS  11           HA       LYS  11  13.580  11.267  -4.680
  100   1HB   LYS  11          1HB       LYS  11  15.719  10.404  -3.560
  101   2HB   LYS  11          2HB       LYS  11  14.856   8.894  -3.326
  102   1HG   LYS  11          1HG       LYS  11  15.247  10.166  -6.021
  103   2HG   LYS  11          2HG       LYS  11  16.363   8.991  -5.325
  104   1HD   LYS  11          1HD       LYS  11  14.538   7.358  -5.180
  105   2HD   LYS  11          2HD       LYS  11  13.440   8.532  -5.903
  106   1HE   LYS  11          1HE       LYS  11  15.914   7.396  -7.198
  107   2HE   LYS  11          2HE       LYS  11  14.253   6.927  -7.559
  108   1HZ   LYS  11          1HZ       LYS  11  14.536   9.730  -7.776
  109   2HZ   LYS  11          2HZ       LYS  11  15.714   8.969  -8.722
  110   3HZ   LYS  11          3HZ       LYS  11  14.078   8.613  -8.960
  111    H    THR  12           H        THR  12  11.994  10.379  -5.831
  112    HA   THR  12           HA       THR  12  10.031   8.706  -4.527
  113    HB   THR  12           HB       THR  12  10.118   9.701  -7.380
  114    HG1  THR  12           HG1      THR  12   9.431  10.888  -4.996
  115   1HG2  THR  12          1HG2      THR  12   8.183   8.074  -5.832
  116   2HG2  THR  12          2HG2      THR  12   7.515   9.336  -6.866
  117   3HG2  THR  12          3HG2      THR  12   8.535   8.075  -7.561
  118    H    ILE  13           H        ILE  13   9.606   6.585  -4.896
  119    HA   ILE  13           HA       ILE  13  11.380   5.175  -6.782
  120    HB   ILE  13           HB       ILE  13  10.286   3.405  -4.793
  121   1HG1  ILE  13          1HG1      ILE  13  12.020   5.641  -3.723
  122   2HG1  ILE  13          2HG1      ILE  13  10.314   5.413  -3.352
  123   1HG2  ILE  13          1HG2      ILE  13  12.988   4.155  -5.821
  124   2HG2  ILE  13          2HG2      ILE  13  12.820   3.072  -4.437
  125   3HG2  ILE  13          3HG2      ILE  13  12.103   2.637  -5.990
  126   1HD1  ILE  13          1HD1      ILE  13  11.809   3.011  -2.825
  127   2HD1  ILE  13          2HD1      ILE  13  12.487   4.390  -1.960
  128   3HD1  ILE  13          3HD1      ILE  13  10.788   3.965  -1.747
  129    H    THR  14           H        THR  14  10.519   3.703  -8.133
  130    HA   THR  14           HA       THR  14   7.637   3.133  -7.932
  131    HB   THR  14           HB       THR  14   9.052   3.477 -10.578
  132    HG1  THR  14           HG1      THR  14   7.296   5.462  -9.805
  133   1HG2  THR  14          1HG2      THR  14   6.948   2.169 -10.503
  134   2HG2  THR  14          2HG2      THR  14   6.130   3.578  -9.826
  135   3HG2  THR  14          3HG2      THR  14   6.802   3.646 -11.455
  136    H    LEU  15           H        LEU  15   7.104   0.990  -8.279
  137    HA   LEU  15           HA       LEU  15   9.021  -0.820  -9.462
  138   1HB   LEU  15          1HB       LEU  15  10.021  -0.586  -7.329
  139   2HB   LEU  15          2HB       LEU  15   8.484  -0.712  -6.505
  140    HG   LEU  15           HG       LEU  15   9.618  -3.043  -8.019
  141   1HD1  LEU  15          1HD1      LEU  15  10.151  -2.254  -5.156
  142   2HD1  LEU  15          2HD1      LEU  15  10.609  -3.785  -5.902
  143   3HD1  LEU  15          3HD1      LEU  15  11.336  -2.279  -6.462
  144   1HD2  LEU  15          1HD2      LEU  15   7.361  -2.511  -6.238
  145   2HD2  LEU  15          2HD2      LEU  15   7.613  -3.824  -7.390
  146   3HD2  LEU  15          3HD2      LEU  15   8.319  -3.919  -5.777
  147    H    GLU  16           H        GLU  16   7.895  -2.268 -10.571
  148    HA   GLU  16           HA       GLU  16   5.087  -2.604 -10.238
  149   1HB   GLU  16          1HB       GLU  16   5.294  -4.269 -12.047
  150   2HB   GLU  16          2HB       GLU  16   6.082  -2.748 -12.441
  151   1HG   GLU  16          1HG       GLU  16   8.249  -3.717 -11.888
  152   2HG   GLU  16          2HG       GLU  16   7.464  -5.240 -11.471
  153    H    VAL  17           H        VAL  17   3.914  -4.331  -9.497
  154    HA   VAL  17           HA       VAL  17   5.173  -6.735  -8.530
  155    HB   VAL  17           HB       VAL  17   4.027  -6.371  -6.219
  156   1HG1  VAL  17          1HG1      VAL  17   3.129  -4.114  -7.080
  157   2HG1  VAL  17          2HG1      VAL  17   3.764  -4.211  -5.437
  158   3HG1  VAL  17          3HG1      VAL  17   4.750  -3.518  -6.725
  159   1HG2  VAL  17          1HG2      VAL  17   6.647  -5.151  -7.028
  160   2HG2  VAL  17          2HG2      VAL  17   6.132  -5.329  -5.352
  161   3HG2  VAL  17          3HG2      VAL  17   6.355  -6.756  -6.361
  162    H    GLU  18           H        GLU  18   3.767  -8.413  -8.366
  163    HA   GLU  18           HA       GLU  18   1.212  -8.128  -9.577
  164   1HB   GLU  18          1HB       GLU  18   2.372 -10.492  -8.093
  165   2HB   GLU  18          2HB       GLU  18   0.976 -10.529  -9.163
  166   1HG   GLU  18          1HG       GLU  18   3.776  -9.805  -9.997
  167   2HG   GLU  18          2HG       GLU  18   3.024 -11.383 -10.220
  168    HA   PRO  19           HA       PRO  19  -1.393  -7.141  -6.142
  169   1HB   PRO  19          1HB       PRO  19  -3.590  -8.665  -6.864
  170   2HB   PRO  19          2HB       PRO  19  -3.241  -7.046  -7.466
  171   1HG   PRO  19          1HG       PRO  19  -2.717  -9.692  -8.736
  172   2HG   PRO  19          2HG       PRO  19  -3.269  -8.181  -9.480
  173   1HD   PRO  19          1HD       PRO  19  -0.729  -8.994  -9.709
  174   2HD   PRO  19          2HD       PRO  19  -1.132  -7.275  -9.524
  175    H    SER  20           H        SER  20  -1.179 -10.505  -7.167
  176    HA   SER  20           HA       SER  20  -2.180 -11.676  -4.817
  177   1HB   SER  20          1HB       SER  20  -2.018 -12.874  -6.944
  178   2HB   SER  20          2HB       SER  20  -0.260 -12.796  -6.867
  179    HG   SER  20           HG       SER  20  -0.778 -14.761  -6.053
  180    H    ASP  21           H        ASP  21   0.993 -10.530  -5.725
  181    HA   ASP  21           HA       ASP  21   2.563 -11.817  -3.824
  182   1HB   ASP  21          1HB       ASP  21   2.844  -9.037  -4.986
  183   2HB   ASP  21          2HB       ASP  21   4.094  -9.858  -4.059
  184    H    THR  22           H        THR  22   2.805 -11.634  -1.685
  185    HA   THR  22           HA       THR  22   0.949 -10.214  -0.123
  186    HB   THR  22           HB       THR  22   2.322 -10.870   1.817
  187    HG1  THR  22           HG1      THR  22   4.250 -12.027   1.438
  188   1HG2  THR  22          1HG2      THR  22   0.951 -12.522   0.066
  189   2HG2  THR  22          2HG2      THR  22   2.466 -13.376   0.358
  190   3HG2  THR  22          3HG2      THR  22   1.436 -12.918   1.715
  191    H    ILE  23           H        ILE  23   1.161  -8.441   1.224
  192    HA   ILE  23           HA       ILE  23   2.473  -6.208   0.233
  193    HB   ILE  23           HB       ILE  23   1.619  -6.683   3.093
  194   1HG1  ILE  23          1HG1      ILE  23   0.107  -5.447   0.779
  195   2HG1  ILE  23          2HG1      ILE  23  -0.188  -7.051   1.443
  196   1HG2  ILE  23          1HG2      ILE  23   3.181  -4.723   2.537
  197   2HG2  ILE  23          2HG2      ILE  23   1.787  -4.027   1.712
  198   3HG2  ILE  23          3HG2      ILE  23   1.706  -4.377   3.439
  199   1HD1  ILE  23          1HD1      ILE  23  -0.480  -5.651   3.675
  200   2HD1  ILE  23          2HD1      ILE  23  -0.900  -4.391   2.515
  201   3HD1  ILE  23          3HD1      ILE  23  -1.802  -5.906   2.536
  202    H    GLU  24           H        GLU  24   3.525  -8.527   2.676
  203    HA   GLU  24           HA       GLU  24   5.773  -7.117   3.593
  204   1HB   GLU  24          1HB       GLU  24   6.570  -9.286   4.426
  205   2HB   GLU  24          2HB       GLU  24   4.871  -9.035   4.798
  206   1HG   GLU  24          1HG       GLU  24   4.256 -10.467   2.910
  207   2HG   GLU  24          2HG       GLU  24   5.963 -10.729   2.562
  208    H    ASN  25           H        ASN  25   5.266  -9.120   0.770
  209    HA   ASN  25           HA       ASN  25   8.036  -9.408   0.123
  210   1HB   ASN  25          1HB       ASN  25   5.543  -9.826  -1.529
  211   2HB   ASN  25          2HB       ASN  25   7.168 -10.204  -2.085
  212   1HD2  ASN  25          2HD2      ASN  25   7.187 -10.772   1.139
  213   2HD2  ASN  25          1HD2      ASN  25   6.796 -12.452   1.142
  214    H    VAL  26           H        VAL  26   5.414  -7.366  -1.186
  215    HA   VAL  26           HA       VAL  26   6.921  -6.068  -3.133
  216    HB   VAL  26           HB       VAL  26   5.268  -4.249  -3.022
  217   1HG1  VAL  26          1HG1      VAL  26   4.874  -6.805  -3.845
  218   2HG1  VAL  26          2HG1      VAL  26   3.498  -6.567  -2.769
  219   3HG1  VAL  26          3HG1      VAL  26   3.753  -5.474  -4.130
  220   1HG2  VAL  26          1HG2      VAL  26   5.036  -4.360  -0.509
  221   2HG2  VAL  26          2HG2      VAL  26   3.542  -4.147  -1.421
  222   3HG2  VAL  26          3HG2      VAL  26   3.958  -5.731  -0.765
  223    H    LYS  27           H        LYS  27   6.459  -5.250   0.287
  224    HA   LYS  27           HA       LYS  27   7.920  -2.822   0.198
  225   1HB   LYS  27          1HB       LYS  27   7.409  -4.656   2.549
  226   2HB   LYS  27          2HB       LYS  27   7.981  -2.998   2.652
  227   1HG   LYS  27          1HG       LYS  27   5.870  -2.271   1.550
  228   2HG   LYS  27          2HG       LYS  27   5.300  -3.936   1.664
  229   1HD   LYS  27          1HD       LYS  27   6.069  -2.154   3.974
  230   2HD   LYS  27          2HD       LYS  27   4.430  -2.597   3.502
  231   1HE   LYS  27          1HE       LYS  27   5.003  -4.972   3.918
  232   2HE   LYS  27          2HE       LYS  27   6.583  -4.452   4.499
  233   1HZ   LYS  27          1HZ       LYS  27   4.850  -2.932   5.930
  234   2HZ   LYS  27          2HZ       LYS  27   4.051  -4.419   5.840
  235   3HZ   LYS  27          3HZ       LYS  27   5.613  -4.337   6.482
  236    H    ALA  28           H        ALA  28   8.798  -6.169   0.810
  237    HA   ALA  28           HA       ALA  28  11.363  -5.874   1.802
  238   1HB   ALA  28          1HB       ALA  28  10.703  -8.034  -0.166
  239   2HB   ALA  28          2HB       ALA  28  11.712  -8.113   1.278
  240   3HB   ALA  28          3HB       ALA  28   9.960  -8.001   1.434
  241    H    LYS  29           H        LYS  29  10.231  -5.693  -1.530
  242    HA   LYS  29           HA       LYS  29  12.806  -5.654  -2.736
  243   1HB   LYS  29          1HB       LYS  29  10.290  -4.423  -3.867
  244   2HB   LYS  29          2HB       LYS  29  11.670  -5.056  -4.751
  245   1HG   LYS  29          1HG       LYS  29  11.106  -7.318  -3.991
  246   2HG   LYS  29          2HG       LYS  29   9.704  -6.663  -3.140
  247   1HD   LYS  29          1HD       LYS  29   8.779  -5.874  -5.258
  248   2HD   LYS  29          2HD       LYS  29  10.186  -6.503  -6.114
  249   1HE   LYS  29          1HE       LYS  29   9.617  -8.767  -5.396
  250   2HE   LYS  29          2HE       LYS  29   8.217  -8.142  -4.524
  251   1HZ   LYS  29          1HZ       LYS  29   8.149  -7.250  -7.199
  252   2HZ   LYS  29          2HZ       LYS  29   8.342  -8.929  -7.180
  253   3HZ   LYS  29          3HZ       LYS  29   7.034  -8.219  -6.376
  254    H    ILE  30           H        ILE  30  10.527  -3.176  -1.671
  255    HA   ILE  30           HA       ILE  30  11.910  -0.933  -2.601
  256    HB   ILE  30           HB       ILE  30  10.218  -1.166  -0.106
  257   1HG1  ILE  30          1HG1      ILE  30   9.497  -0.358  -2.934
  258   2HG1  ILE  30          2HG1      ILE  30   9.030  -1.857  -2.141
  259   1HG2  ILE  30          1HG2      ILE  30  11.143   1.237  -1.684
  260   2HG2  ILE  30          2HG2      ILE  30   9.887   1.286  -0.444
  261   3HG2  ILE  30          3HG2      ILE  30  11.536   0.841  -0.010
  262   1HD1  ILE  30          1HD1      ILE  30   8.250   0.806  -1.022
  263   2HD1  ILE  30          2HD1      ILE  30   7.305   0.009  -2.281
  264   3HD1  ILE  30          3HD1      ILE  30   7.535  -0.777  -0.720
  265    H    GLN  31           H        GLN  31  12.418  -3.025   0.140
  266    HA   GLN  31           HA       GLN  31  14.165  -1.410   1.650
  267   1HB   GLN  31          1HB       GLN  31  14.327  -4.416   1.347
  268   2HB   GLN  31          2HB       GLN  31  14.891  -3.455   2.704
  269   1HG   GLN  31          1HG       GLN  31  12.628  -2.912   3.317
  270   2HG   GLN  31          2HG       GLN  31  12.010  -3.744   1.895
  271   1HE2  GLN  31          2HE2      GLN  31  14.638  -5.411   3.072
  272   2HE2  GLN  31          1HE2      GLN  31  13.806  -6.587   4.023
  273    H    ASP  32           H        ASP  32  14.617  -3.717  -0.972
  274    HA   ASP  32           HA       ASP  32  17.425  -3.483  -1.166
  275   1HB   ASP  32          1HB       ASP  32  15.380  -4.282  -3.249
  276   2HB   ASP  32          2HB       ASP  32  17.119  -4.480  -3.424
  277    H    LYS  33           H        LYS  33  14.694  -1.823  -2.532
  278    HA   LYS  33           HA       LYS  33  15.986  -0.237  -4.445
  279   1HB   LYS  33          1HB       LYS  33  13.434   0.106  -2.876
  280   2HB   LYS  33          2HB       LYS  33  13.947   1.267  -4.096
  281   1HG   LYS  33          1HG       LYS  33  13.432  -1.662  -4.574
  282   2HG   LYS  33          2HG       LYS  33  12.319  -0.349  -4.955
  283   1HD   LYS  33          1HD       LYS  33  13.989   0.604  -6.488
  284   2HD   LYS  33          2HD       LYS  33  15.071  -0.744  -6.127
  285   1HE   LYS  33          1HE       LYS  33  13.408  -2.308  -7.008
  286   2HE   LYS  33          2HE       LYS  33  12.334  -0.961  -7.372
  287   1HZ   LYS  33          1HZ       LYS  33  14.981  -0.705  -8.490
  288   2HZ   LYS  33          2HZ       LYS  33  14.103  -2.017  -9.096
  289   3HZ   LYS  33          3HZ       LYS  33  13.473  -0.451  -9.211
  290    H    GLU  34           H        GLU  34  15.677   0.030  -0.995
  291    HA   GLU  34           HA       GLU  34  17.542   2.268  -0.996
  292   1HB   GLU  34          1HB       GLU  34  14.878   2.365   0.432
  293   2HB   GLU  34          2HB       GLU  34  16.178   3.523   0.656
  294   1HG   GLU  34          1HG       GLU  34  14.742   3.017  -1.939
  295   2HG   GLU  34          2HG       GLU  34  14.406   4.344  -0.829
  296    H    GLY  35           H        GLY  35  15.496   1.143   1.664
  297   1HA   GLY  35          1HA       GLY  35  17.887   0.473   3.176
  298   2HA   GLY  35          2HA       GLY  35  16.825  -0.875   2.809
  299    H    ILE  36           H        ILE  36  14.333   0.364   3.108
  300    HA   ILE  36           HA       ILE  36  14.373   1.152   5.936
  301    HB   ILE  36           HB       ILE  36  11.857   1.795   5.081
  302   1HG1  ILE  36          1HG1      ILE  36  12.194   3.161   3.018
  303   2HG1  ILE  36          2HG1      ILE  36  13.798   2.456   2.851
  304   1HG2  ILE  36          1HG2      ILE  36  14.309   3.182   5.798
  305   2HG2  ILE  36          2HG2      ILE  36  13.244   4.145   4.774
  306   3HG2  ILE  36          3HG2      ILE  36  12.644   3.484   6.295
  307   1HD1  ILE  36          1HD1      ILE  36  12.396   0.209   2.941
  308   2HD1  ILE  36          2HD1      ILE  36  11.144   1.280   2.314
  309   3HD1  ILE  36          3HD1      ILE  36  12.669   1.101   1.445
  310    HA   PRO  37           HA       PRO  37  12.661  -2.815   7.030
  311   1HB   PRO  37          1HB       PRO  37  11.325  -0.950   8.962
  312   2HB   PRO  37          2HB       PRO  37  12.037  -2.541   9.264
  313   1HG   PRO  37          1HG       PRO  37  13.379  -0.341   9.891
  314   2HG   PRO  37          2HG       PRO  37  14.216  -1.717   9.153
  315   1HD   PRO  37          1HD       PRO  37  13.476   0.899   7.966
  316   2HD   PRO  37          2HD       PRO  37  14.823  -0.180   7.568
  317    HA   PRO  38           HA       PRO  38   8.788  -2.804   4.864
  318   1HB   PRO  38          1HB       PRO  38   7.658  -4.982   6.173
  319   2HB   PRO  38          2HB       PRO  38   8.710  -5.069   4.760
  320   1HG   PRO  38          1HG       PRO  38   9.359  -5.484   7.634
  321   2HG   PRO  38          2HG       PRO  38  10.014  -6.296   6.201
  322   1HD   PRO  38          1HD       PRO  38  11.393  -4.406   7.542
  323   2HD   PRO  38          2HD       PRO  38  11.532  -4.611   5.785
  324    H    ASP  39           H        ASP  39   8.832  -3.100   8.385
  325    HA   ASP  39           HA       ASP  39   6.125  -2.451   8.830
  326   1HB   ASP  39          1HB       ASP  39   8.523  -2.057  10.636
  327   2HB   ASP  39          2HB       ASP  39   6.842  -1.965  11.148
  328    H    GLN  40           H        GLN  40   9.046  -0.484   8.564
  329    HA   GLN  40           HA       GLN  40   7.960   1.955   9.380
  330   1HB   GLN  40          1HB       GLN  40  10.218   1.338   7.479
  331   2HB   GLN  40          2HB       GLN  40   9.820   2.968   8.006
  332   1HG   GLN  40          1HG       GLN  40  10.197   2.275  10.338
  333   2HG   GLN  40          2HG       GLN  40  10.672   0.679   9.763
  334   1HE2  GLN  40          2HE2      GLN  40  11.813   2.435   7.376
  335   2HE2  GLN  40          1HE2      GLN  40  13.375   2.855   7.981
  336    H    GLN  41           H        GLN  41   8.015   0.411   6.203
  337    HA   GLN  41           HA       GLN  41   7.055   2.582   4.709
  338   1HB   GLN  41          1HB       GLN  41   6.693  -0.384   4.256
  339   2HB   GLN  41          2HB       GLN  41   6.371   0.863   3.058
  340   1HG   GLN  41          1HG       GLN  41   8.679   1.488   2.993
  341   2HG   GLN  41          2HG       GLN  41   9.053   0.423   4.347
  342   1HE2  GLN  41          2HE2      GLN  41  10.131  -1.279   3.712
  343   2HE2  GLN  41          1HE2      GLN  41   9.876  -2.170   2.254
  344    H    ARG  42           H        ARG  42   5.183   3.605   4.827
  345    HA   ARG  42           HA       ARG  42   2.952   2.392   6.206
  346   1HB   ARG  42          1HB       ARG  42   3.591   4.675   6.792
  347   2HB   ARG  42          2HB       ARG  42   3.327   5.186   5.133
  348   1HG   ARG  42          1HG       ARG  42   1.467   5.857   6.505
  349   2HG   ARG  42          2HG       ARG  42   0.945   4.623   5.356
  350   1HD   ARG  42          1HD       ARG  42   0.004   4.212   7.566
  351   2HD   ARG  42          2HD       ARG  42   1.108   2.921   7.098
  352    HE   ARG  42           HE       ARG  42   2.541   4.819   8.571
  353   1HH1  ARG  42          1HH1      ARG  42   0.003   2.473   9.028
  354   2HH1  ARG  42          2HH1      ARG  42   0.386   2.195  10.693
  355   1HH2  ARG  42          1HH2      ARG  42   3.050   4.456  10.762
  356   2HH2  ARG  42          2HH2      ARG  42   2.116   3.322  11.679
  357    H    LEU  43           H        LEU  43   1.194   1.566   5.237
  358    HA   LEU  43           HA       LEU  43   1.082   1.539   2.356
  359   1HB   LEU  43          1HB       LEU  43  -0.885   0.403   4.342
  360   2HB   LEU  43          2HB       LEU  43  -0.850   0.074   2.622
  361    HG   LEU  43           HG       LEU  43   1.094  -0.840   4.724
  362   1HD1  LEU  43          1HD1      LEU  43   2.308   0.025   2.719
  363   2HD1  LEU  43          2HD1      LEU  43   2.530  -1.700   3.014
  364   3HD1  LEU  43          3HD1      LEU  43   1.430  -1.156   1.747
  365   1HD2  LEU  43          1HD2      LEU  43  -0.815  -2.152   2.829
  366   2HD2  LEU  43          2HD2      LEU  43   0.552  -3.035   3.507
  367   3HD2  LEU  43          3HD2      LEU  43  -0.670  -2.347   4.576
  368    H    ILE  44           H        ILE  44  -0.272   2.612   1.053
  369    HA   ILE  44           HA       ILE  44  -2.485   4.136   2.186
  370    HB   ILE  44           HB       ILE  44  -0.329   5.405   0.494
  371   1HG1  ILE  44          1HG1      ILE  44  -1.225   5.955   3.332
  372   2HG1  ILE  44          2HG1      ILE  44   0.261   5.130   2.875
  373   1HG2  ILE  44          1HG2      ILE  44  -3.117   6.124   0.998
  374   2HG2  ILE  44          2HG2      ILE  44  -1.973   7.419   1.347
  375   3HG2  ILE  44          3HG2      ILE  44  -2.009   6.683  -0.255
  376   1HD1  ILE  44          1HD1      ILE  44  -0.247   7.866   1.835
  377   2HD1  ILE  44          2HD1      ILE  44   0.273   7.653   3.507
  378   3HD1  ILE  44          3HD1      ILE  44   1.279   7.053   2.187
  379    H    PHE  45           H        PHE  45  -4.234   3.913   0.960
  380    HA   PHE  45           HA       PHE  45  -3.875   3.017  -1.823
  381   1HB   PHE  45          1HB       PHE  45  -6.189   2.414   0.030
  382   2HB   PHE  45          2HB       PHE  45  -5.959   1.777  -1.595
  383    HD1  PHE  45           HD1      PHE  45  -5.213  -0.377  -1.739
  384    HD2  PHE  45           HD2      PHE  45  -4.051   1.966   1.617
  385    HE1  PHE  45           HE1      PHE  45  -4.026  -2.315  -0.798
  386    HE2  PHE  45           HE2      PHE  45  -2.857   0.033   2.559
  387    HZ   PHE  45           HZ       PHE  45  -2.844  -2.112   1.351
  388    H    ALA  46           H        ALA  46  -5.096   3.968  -3.452
  389    HA   ALA  46           HA       ALA  46  -7.074   5.985  -2.676
  390   1HB   ALA  46          1HB       ALA  46  -5.998   7.805  -3.469
  391   2HB   ALA  46          2HB       ALA  46  -5.165   6.901  -4.734
  392   3HB   ALA  46          3HB       ALA  46  -4.570   6.849  -3.075
  393    H    GLY  47           H        GLY  47  -8.825   5.772  -3.889
  394   1HA   GLY  47          1HA       GLY  47 -10.224   5.160  -5.601
  395   2HA   GLY  47          2HA       GLY  47  -8.997   3.996  -6.069
  396    H    LYS  48           H        LYS  48  -8.993   4.254  -8.244
  397    HA   LYS  48           HA       LYS  48  -7.730   6.615  -9.299
  398   1HB   LYS  48          1HB       LYS  48  -7.237   4.329 -10.142
  399   2HB   LYS  48          2HB       LYS  48  -8.874   4.243 -10.778
  400   1HG   LYS  48          1HG       LYS  48  -7.269   4.796 -12.521
  401   2HG   LYS  48          2HG       LYS  48  -8.413   6.115 -12.262
  402   1HD   LYS  48          1HD       LYS  48  -6.745   7.272 -10.875
  403   2HD   LYS  48          2HD       LYS  48  -5.600   5.962 -11.177
  404   1HE   LYS  48          1HE       LYS  48  -5.599   6.457 -13.541
  405   2HE   LYS  48          2HE       LYS  48  -6.840   7.689 -13.315
  406   1HZ   LYS  48          1HZ       LYS  48  -4.339   7.932 -11.807
  407   2HZ   LYS  48          2HZ       LYS  48  -4.325   8.326 -13.451
  408   3HZ   LYS  48          3HZ       LYS  48  -5.364   9.143 -12.396
  409    H    GLN  49           H        GLN  49  -9.443   8.054  -8.554
  410    HA   GLN  49           HA       GLN  49 -12.010   8.024  -9.756
  411   1HB   GLN  49          1HB       GLN  49 -11.657   9.243  -7.695
  412   2HB   GLN  49          2HB       GLN  49 -10.430  10.246  -8.454
  413   1HG   GLN  49          1HG       GLN  49 -12.107  11.240  -9.897
  414   2HG   GLN  49          2HG       GLN  49 -13.347  10.216  -9.178
  415   1HE2  GLN  49          2HE2      GLN  49 -12.075  13.216  -9.155
  416   2HE2  GLN  49          1HE2      GLN  49 -12.525  13.725  -7.567
  417    H    LEU  50           H        LEU  50 -11.742   7.743 -11.934
  418    HA   LEU  50           HA       LEU  50 -10.042   8.908 -13.702
  419   1HB   LEU  50          1HB       LEU  50 -12.975   8.414 -14.207
  420   2HB   LEU  50          2HB       LEU  50 -11.707   8.492 -15.417
  421    HG   LEU  50           HG       LEU  50 -11.734   6.435 -13.217
  422   1HD1  LEU  50          1HD1      LEU  50 -10.010   7.052 -15.517
  423   2HD1  LEU  50          2HD1      LEU  50  -9.629   6.256 -13.989
  424   3HD1  LEU  50          3HD1      LEU  50 -10.401   5.348 -15.290
  425   1HD2  LEU  50          1HD2      LEU  50 -13.400   6.591 -15.565
  426   2HD2  LEU  50          2HD2      LEU  50 -12.362   5.166 -15.603
  427   3HD2  LEU  50          3HD2      LEU  50 -13.435   5.439 -14.229
  428    H    GLU  51           H        GLU  51  -9.643  11.016 -12.841
  429    HA   GLU  51           HA       GLU  51 -11.580  13.078 -12.793
  430   1HB   GLU  51          1HB       GLU  51  -9.490  13.191 -11.527
  431   2HB   GLU  51          2HB       GLU  51  -8.569  13.240 -13.022
  432   1HG   GLU  51          1HG       GLU  51  -9.594  15.388 -13.579
  433   2HG   GLU  51          2HG       GLU  51 -10.503  15.339 -12.071
  434    H1   GLY  -1           H1       GLY  -1  -3.739   0.635  17.798
  435    H2   GLY  -1           H2       GLY  -1  -5.398   0.550  18.120
  436    H3   GLY  -1           H3       GLY  -1  -4.401  -0.773  18.460
  437   1HA   GLY  -1          1HA       GLY  -1  -5.080   0.298  15.778
  438   2HA   GLY  -1          2HA       GLY  -1  -5.629  -1.223  16.462
  439    H    SER   0           H        SER   0  -4.725  -2.723  15.186
  440    HA   SER   0           HA       SER   0  -1.945  -3.246  15.387
  441   1HB   SER   0          1HB       SER   0  -4.019  -4.456  13.545
  442   2HB   SER   0          2HB       SER   0  -2.406  -5.106  13.825
  443    HG   SER   0           HG       SER   0  -3.104  -5.101  16.137
  444    H    MET   1           H        MET   1  -2.178  -4.120  12.346
  445    HA   MET   1           HA       MET   1  -0.651  -1.878  11.389
  446   1HB   MET   1          1HB       MET   1   0.028  -4.152  10.822
  447   2HB   MET   1          2HB       MET   1  -1.512  -4.434  10.022
  448   1HG   MET   1          1HG       MET   1  -0.975  -2.775   8.343
  449   2HG   MET   1          2HG       MET   1   0.542  -2.408   9.164
  450   1HE   MET   1          1HE       MET   1   0.257  -2.859   6.301
  451   2HE   MET   1          2HE       MET   1   1.978  -3.074   6.620
  452   3HE   MET   1          3HE       MET   1   1.099  -4.276   5.673
  453    H    GLN   2           H        GLN   2  -2.982  -0.780  11.931
  454    HA   GLN   2           HA       GLN   2  -4.967  -0.893   9.947
  455   1HB   GLN   2          1HB       GLN   2  -5.783   1.200  10.900
  456   2HB   GLN   2          2HB       GLN   2  -5.343   0.072  12.169
  457   1HG   GLN   2          1HG       GLN   2  -3.204   1.260  12.448
  458   2HG   GLN   2          2HG       GLN   2  -3.723   2.423  11.230
  459   1HE2  GLN   2          2HE2      GLN   2  -6.450   1.561  12.814
  460   2HE2  GLN   2          1HE2      GLN   2  -6.494   2.797  14.019
  461    H    ILE   3           H        ILE   3  -4.642  -0.516   7.881
  462    HA   ILE   3           HA       ILE   3  -2.553   1.209   6.935
  463    HB   ILE   3           HB       ILE   3  -3.486   0.630   4.670
  464   1HG1  ILE   3          1HG1      ILE   3  -5.260  -1.173   6.326
  465   2HG1  ILE   3          2HG1      ILE   3  -5.793   0.170   5.321
  466   1HG2  ILE   3          1HG2      ILE   3  -1.769  -0.687   6.219
  467   2HG2  ILE   3          2HG2      ILE   3  -3.002  -1.938   6.053
  468   3HG2  ILE   3          3HG2      ILE   3  -2.237  -1.257   4.616
  469   1HD1  ILE   3          1HD1      ILE   3  -4.205  -1.723   3.822
  470   2HD1  ILE   3          2HD1      ILE   3  -5.612  -2.480   4.575
  471   3HD1  ILE   3          3HD1      ILE   3  -5.823  -1.096   3.501
  472    H    PHE   4           H        PHE   4  -2.705   3.155   5.939
  473    HA   PHE   4           HA       PHE   4  -5.165   4.647   6.381
  474   1HB   PHE   4          1HB       PHE   4  -2.421   5.518   5.444
  475   2HB   PHE   4          2HB       PHE   4  -3.781   6.609   5.663
  476    HD1  PHE   4           HD1      PHE   4  -2.306   3.853   7.715
  477    HD2  PHE   4           HD2      PHE   4  -3.502   7.930   7.500
  478    HE1  PHE   4           HE1      PHE   4  -1.687   4.155  10.076
  479    HE2  PHE   4           HE2      PHE   4  -2.884   8.242   9.860
  480    HZ   PHE   4           HZ       PHE   4  -1.974   6.352  11.152
  481    H    VAL   5           H        VAL   5  -6.571   5.175   4.802
  482    HA   VAL   5           HA       VAL   5  -5.712   5.202   2.027
  483    HB   VAL   5           HB       VAL   5  -6.289   2.932   2.087
  484   1HG1  VAL   5          1HG1      VAL   5  -8.576   4.581   1.059
  485   2HG1  VAL   5          2HG1      VAL   5  -7.255   3.841   0.156
  486   3HG1  VAL   5          3HG1      VAL   5  -8.517   2.829   0.859
  487   1HG2  VAL   5          1HG2      VAL   5  -8.425   3.798   3.954
  488   2HG2  VAL   5          2HG2      VAL   5  -8.702   2.355   2.979
  489   3HG2  VAL   5          3HG2      VAL   5  -7.310   2.436   4.059
  490    H    LYS   6           H        LYS   6  -6.717   6.732   0.894
  491    HA   LYS   6           HA       LYS   6  -8.882   8.199   2.194
  492   1HB   LYS   6          1HB       LYS   6  -7.253   8.868  -0.268
  493   2HB   LYS   6          2HB       LYS   6  -8.452   9.919   0.474
  494   1HG   LYS   6          1HG       LYS   6  -7.105  10.036   2.506
  495   2HG   LYS   6          2HG       LYS   6  -5.906   8.968   1.773
  496   1HD   LYS   6          1HD       LYS   6  -6.703  11.681   0.717
  497   2HD   LYS   6          2HD       LYS   6  -5.246  11.336   1.651
  498   1HE   LYS   6          1HE       LYS   6  -4.489   9.804  -0.102
  499   2HE   LYS   6          2HE       LYS   6  -5.942  10.155  -1.035
  500   1HZ   LYS   6          1HZ       LYS   6  -4.108  12.317  -0.213
  501   2HZ   LYS   6          2HZ       LYS   6  -3.806  11.408  -1.606
  502   3HZ   LYS   6          3HZ       LYS   6  -5.234  12.305  -1.477
  503    H    THR   7           H        THR   7 -10.946   8.175   1.499
  504    HA   THR   7           HA       THR   7 -11.768   6.236  -0.401
  505    HB   THR   7           HB       THR   7 -14.037   7.182  -0.105
  506    HG1  THR   7           HG1      THR   7 -12.552   9.213   1.149
  507   1HG2  THR   7          1HG2      THR   7 -12.391   6.651   2.360
  508   2HG2  THR   7          2HG2      THR   7 -14.143   6.845   2.407
  509   3HG2  THR   7          3HG2      THR   7 -13.427   5.529   1.477
  510    H    LEU   8           H        LEU   8 -13.884   7.666  -1.681
  511    HA   LEU   8           HA       LEU   8 -12.388   8.761  -3.905
  512   1HB   LEU   8          1HB       LEU   8 -15.346   8.277  -3.550
  513   2HB   LEU   8          2HB       LEU   8 -14.576   8.775  -5.044
  514    HG   LEU   8           HG       LEU   8 -13.344   6.372  -4.002
  515   1HD1  LEU   8          1HD1      LEU   8 -14.625   7.296  -6.537
  516   2HD1  LEU   8          2HD1      LEU   8 -12.955   6.821  -6.232
  517   3HD1  LEU   8          3HD1      LEU   8 -14.220   5.594  -6.317
  518   1HD2  LEU   8          1HD2      LEU   8 -16.209   6.540  -3.748
  519   2HD2  LEU   8          2HD2      LEU   8 -15.741   5.287  -4.896
  520   3HD2  LEU   8          3HD2      LEU   8 -15.106   5.258  -3.251
  521    H    THR   9           H        THR   9 -14.998   9.841  -1.740
  522    HA   THR   9           HA       THR   9 -15.015  12.499  -2.787
  523    HB   THR   9           HB       THR   9 -17.046  11.637  -1.817
  524    HG1  THR   9           HG1      THR   9 -17.543  13.432  -0.621
  525   1HG2  THR   9          1HG2      THR   9 -15.460  11.407   0.742
  526   2HG2  THR   9          2HG2      THR   9 -17.213  11.246   0.634
  527   3HG2  THR   9          3HG2      THR   9 -16.168  10.088  -0.191
  528    H    GLY  10           H        GLY  10 -13.724  11.025   0.187
  529   1HA   GLY  10          1HA       GLY  10 -12.633  13.549   1.081
  530   2HA   GLY  10          2HA       GLY  10 -11.430  12.439   0.442
  531    H    LYS  11           H        LYS  11 -14.281  11.368   2.159
  532    HA   LYS  11           HA       LYS  11 -13.511  11.326   4.772
  533   1HB   LYS  11          1HB       LYS  11 -15.679  10.493   3.708
  534   2HB   LYS  11          2HB       LYS  11 -14.854   8.965   3.459
  535   1HG   LYS  11          1HG       LYS  11 -15.143  10.240   6.163
  536   2HG   LYS  11          2HG       LYS  11 -16.325   9.116   5.492
  537   1HD   LYS  11          1HD       LYS  11 -14.583   7.406   5.298
  538   2HD   LYS  11          2HD       LYS  11 -13.407   8.531   5.980
  539   1HE   LYS  11          1HE       LYS  11 -15.883   7.506   7.363
  540   2HE   LYS  11          2HE       LYS  11 -14.233   6.966   7.667
  541   1HZ   LYS  11          1HZ       LYS  11 -14.402   9.782   7.883
  542   2HZ   LYS  11          2HZ       LYS  11 -15.557   9.060   8.886
  543   3HZ   LYS  11          3HZ       LYS  11 -13.923   8.652   9.047
  544    H    THR  12           H        THR  12 -11.953  10.411   5.937
  545    HA   THR  12           HA       THR  12 -10.027   8.678   4.647
  546    HB   THR  12           HB       THR  12 -10.059   9.679   7.494
  547    HG1  THR  12           HG1      THR  12  -9.309  10.859   5.078
  548   1HG2  THR  12          1HG2      THR  12  -8.156   8.096   5.870
  549   2HG2  THR  12          2HG2      THR  12  -7.464   9.364   6.882
  550   3HG2  THR  12          3HG2      THR  12  -8.440   8.089   7.612
  551    H    ILE  13           H        ILE  13  -9.593   6.567   5.125
  552    HA   ILE  13           HA       ILE  13 -11.202   5.272   7.205
  553    HB   ILE  13           HB       ILE  13 -11.385   3.276   5.599
  554   1HG1  ILE  13          1HG1      ILE  13 -11.013   5.507   3.588
  555   2HG1  ILE  13          2HG1      ILE  13  -9.860   4.214   3.883
  556   1HG2  ILE  13          1HG2      ILE  13 -12.966   5.757   5.733
  557   2HG2  ILE  13          2HG2      ILE  13 -13.351   4.662   4.405
  558   3HG2  ILE  13          3HG2      ILE  13 -13.432   4.089   6.071
  559   1HD1  ILE  13          1HD1      ILE  13 -11.882   2.671   3.315
  560   2HD1  ILE  13          2HD1      ILE  13 -12.500   4.119   2.521
  561   3HD1  ILE  13          3HD1      ILE  13 -10.949   3.439   2.030
  562    H    THR  14           H        THR  14 -10.232   3.643   8.299
  563    HA   THR  14           HA       THR  14  -7.573   2.744   7.434
  564    HB   THR  14           HB       THR  14  -8.078   3.544  10.295
  565    HG1  THR  14           HG1      THR  14  -7.072   5.527   9.788
  566   1HG2  THR  14          1HG2      THR  14  -6.164   2.010   9.543
  567   2HG2  THR  14          2HG2      THR  14  -5.468   3.462   8.820
  568   3HG2  THR  14          3HG2      THR  14  -5.761   3.395  10.557
  569    H    LEU  15           H        LEU  15  -7.068   0.647   8.031
  570    HA   LEU  15           HA       LEU  15  -8.723  -0.765   9.944
  571   1HB   LEU  15          1HB       LEU  15  -9.491  -2.472   8.440
  572   2HB   LEU  15          2HB       LEU  15 -10.020  -0.911   7.847
  573    HG   LEU  15           HG       LEU  15  -7.477  -1.693   6.691
  574   1HD1  LEU  15          1HD1      LEU  15  -9.796  -0.238   6.025
  575   2HD1  LEU  15          2HD1      LEU  15  -8.293  -0.382   5.111
  576   3HD1  LEU  15          3HD1      LEU  15  -9.615  -1.515   4.823
  577   1HD2  LEU  15          1HD2      LEU  15  -8.644  -3.930   7.137
  578   2HD2  LEU  15          2HD2      LEU  15  -9.776  -3.427   5.882
  579   3HD2  LEU  15          3HD2      LEU  15  -8.061  -3.601   5.505
  580    H    GLU  16           H        GLU  16  -7.641  -2.365  10.927
  581    HA   GLU  16           HA       GLU  16  -4.860  -2.684  10.446
  582   1HB   GLU  16          1HB       GLU  16  -4.960  -4.341  12.261
  583   2HB   GLU  16          2HB       GLU  16  -5.787  -2.850  12.691
  584   1HG   GLU  16          1HG       GLU  16  -7.937  -3.905  12.165
  585   2HG   GLU  16          2HG       GLU  16  -7.093  -5.405  11.778
  586    H    VAL  17           H        VAL  17  -3.727  -4.332   9.534
  587    HA   VAL  17           HA       VAL  17  -5.032  -6.751   8.620
  588    HB   VAL  17           HB       VAL  17  -4.156  -6.413   6.261
  589   1HG1  VAL  17          1HG1      VAL  17  -6.586  -6.030   7.230
  590   2HG1  VAL  17          2HG1      VAL  17  -6.255  -4.370   6.741
  591   3HG1  VAL  17          3HG1      VAL  17  -6.191  -5.668   5.549
  592   1HG2  VAL  17          1HG2      VAL  17  -3.315  -3.949   7.460
  593   2HG2  VAL  17          2HG2      VAL  17  -2.950  -4.595   5.859
  594   3HG2  VAL  17          3HG2      VAL  17  -4.402  -3.626   6.106
  595    H    GLU  18           H        GLU  18  -3.629  -8.428   8.466
  596    HA   GLU  18           HA       GLU  18  -1.011  -8.112   9.520
  597   1HB   GLU  18          1HB       GLU  18  -2.175 -10.521   8.116
  598   2HB   GLU  18          2HB       GLU  18  -0.790 -10.505   9.200
  599   1HG   GLU  18          1HG       GLU  18  -3.605  -9.792   9.990
  600   2HG   GLU  18          2HG       GLU  18  -2.846 -11.362  10.251
  601    HA   PRO  19           HA       PRO  19   1.414  -7.182   5.939
  602   1HB   PRO  19          1HB       PRO  19   3.650  -8.681   6.566
  603   2HB   PRO  19          2HB       PRO  19   3.320  -7.062   7.177
  604   1HG   PRO  19          1HG       PRO  19   2.859  -9.706   8.481
  605   2HG   PRO  19          2HG       PRO  19   3.465  -8.199   9.187
  606   1HD   PRO  19          1HD       PRO  19   0.935  -8.982   9.564
  607   2HD   PRO  19          2HD       PRO  19   1.337  -7.268   9.332
  608    H    SER  20           H        SER  20   1.206 -10.520   7.024
  609    HA   SER  20           HA       SER  20   2.133 -11.747   4.677
  610   1HB   SER  20          1HB       SER  20   2.002 -12.905   6.828
  611   2HB   SER  20          2HB       SER  20   0.244 -12.803   6.788
  612    HG   SER  20           HG       SER  20   0.803 -14.808   6.023
  613    H    ASP  21           H        ASP  21  -1.006 -10.528   5.618
  614    HA   ASP  21           HA       ASP  21  -2.611 -11.835   3.749
  615   1HB   ASP  21          1HB       ASP  21  -2.845  -9.091   4.989
  616   2HB   ASP  21          2HB       ASP  21  -4.083  -9.779   3.948
  617    H    THR  22           H        THR  22  -2.867 -11.669   1.616
  618    HA   THR  22           HA       THR  22  -1.028 -10.263   0.025
  619    HB   THR  22           HB       THR  22  -2.450 -10.908  -1.892
  620    HG1  THR  22           HG1      THR  22  -4.360 -12.089  -1.458
  621   1HG2  THR  22          1HG2      THR  22  -1.032 -12.560  -0.175
  622   2HG2  THR  22          2HG2      THR  22  -2.549 -13.419  -0.441
  623   3HG2  THR  22          3HG2      THR  22  -1.549 -12.950  -1.816
  624    H    ILE  23           H        ILE  23  -1.248  -8.482  -1.313
  625    HA   ILE  23           HA       ILE  23  -2.524  -6.243  -0.308
  626    HB   ILE  23           HB       ILE  23  -1.759  -6.736  -3.189
  627   1HG1  ILE  23          1HG1      ILE  23  -0.175  -5.493  -0.928
  628   2HG1  ILE  23          2HG1      ILE  23   0.098  -7.100  -1.594
  629   1HG2  ILE  23          1HG2      ILE  23  -3.299  -4.771  -2.603
  630   2HG2  ILE  23          2HG2      ILE  23  -1.884  -4.074  -1.814
  631   3HG2  ILE  23          3HG2      ILE  23  -1.845  -4.429  -3.541
  632   1HD1  ILE  23          1HD1      ILE  23   0.327  -5.712  -3.839
  633   2HD1  ILE  23          2HD1      ILE  23   0.779  -4.445  -2.701
  634   3HD1  ILE  23          3HD1      ILE  23   1.681  -5.959  -2.737
  635    H    GLU  24           H        GLU  24  -3.670  -8.576  -2.689
  636    HA   GLU  24           HA       GLU  24  -5.937  -7.161  -3.553
  637   1HB   GLU  24          1HB       GLU  24  -6.779  -9.363  -4.304
  638   2HB   GLU  24          2HB       GLU  24  -5.116  -9.071  -4.791
  639   1HG   GLU  24          1HG       GLU  24  -4.324 -10.478  -2.968
  640   2HG   GLU  24          2HG       GLU  24  -5.987 -10.757  -2.455
  641    H    ASN  25           H        ASN  25  -5.363  -9.168  -0.742
  642    HA   ASN  25           HA       ASN  25  -8.106  -9.439  -0.009
  643   1HB   ASN  25          1HB       ASN  25  -5.569  -9.829   1.586
  644   2HB   ASN  25          2HB       ASN  25  -7.178 -10.219   2.178
  645   1HD2  ASN  25          2HD2      ASN  25  -7.274 -10.809  -1.037
  646   2HD2  ASN  25          1HD2      ASN  25  -6.864 -12.485  -1.041
  647    H    VAL  26           H        VAL  26  -5.455  -7.374   1.201
  648    HA   VAL  26           HA       VAL  26  -6.921  -6.059   3.173
  649    HB   VAL  26           HB       VAL  26  -5.267  -4.236   2.999
  650   1HG1  VAL  26          1HG1      VAL  26  -4.884  -6.773   3.886
  651   2HG1  VAL  26          2HG1      VAL  26  -3.513  -6.571   2.793
  652   3HG1  VAL  26          3HG1      VAL  26  -3.752  -5.442   4.128
  653   1HG2  VAL  26          1HG2      VAL  26  -5.057  -4.402   0.494
  654   2HG2  VAL  26          2HG2      VAL  26  -3.547  -4.203   1.382
  655   3HG2  VAL  26          3HG2      VAL  26  -4.002  -5.790   0.764
  656    H    LYS  27           H        LYS  27  -6.518  -5.268  -0.262
  657    HA   LYS  27           HA       LYS  27  -7.964  -2.835  -0.166
  658   1HB   LYS  27          1HB       LYS  27  -7.527  -4.699  -2.508
  659   2HB   LYS  27          2HB       LYS  27  -8.092  -3.039  -2.615
  660   1HG   LYS  27          1HG       LYS  27  -5.949  -2.314  -1.576
  661   2HG   LYS  27          2HG       LYS  27  -5.392  -3.983  -1.689
  662   1HD   LYS  27          1HD       LYS  27  -6.223  -2.235  -4.002
  663   2HD   LYS  27          2HD       LYS  27  -4.568  -2.647  -3.560
  664   1HE   LYS  27          1HE       LYS  27  -5.104  -5.031  -3.932
  665   2HE   LYS  27          2HE       LYS  27  -6.714  -4.555  -4.468
  666   1HZ   LYS  27          1HZ       LYS  27  -5.040  -3.021  -5.969
  667   2HZ   LYS  27          2HZ       LYS  27  -4.241  -4.511  -5.900
  668   3HZ   LYS  27          3HZ       LYS  27  -5.826  -4.428  -6.485
  669    H    ALA  28           H        ALA  28  -8.883  -6.183  -0.698
  670    HA   ALA  28           HA       ALA  28 -11.476  -5.862  -1.621
  671   1HB   ALA  28          1HB       ALA  28 -11.847  -8.099  -1.050
  672   2HB   ALA  28          2HB       ALA  28 -10.726  -8.032   0.310
  673   3HB   ALA  28          3HB       ALA  28 -10.110  -8.004  -1.342
  674    H    LYS  29           H        LYS  29 -10.235  -5.709   1.677
  675    HA   LYS  29           HA       LYS  29 -12.760  -5.628   2.975
  676   1HB   LYS  29          1HB       LYS  29 -10.214  -4.368   4.002
  677   2HB   LYS  29          2HB       LYS  29 -11.550  -5.021   4.937
  678   1HG   LYS  29          1HG       LYS  29 -10.975  -7.275   4.163
  679   2HG   LYS  29          2HG       LYS  29  -9.618  -6.601   3.260
  680   1HD   LYS  29          1HD       LYS  29  -8.626  -5.796   5.340
  681   2HD   LYS  29          2HD       LYS  29  -9.995  -6.436   6.250
  682   1HE   LYS  29          1HE       LYS  29  -9.427  -8.700   5.481
  683   2HE   LYS  29          2HE       LYS  29  -8.040  -8.046   4.613
  684   1HZ   LYS  29          1HZ       LYS  29  -7.954  -7.175   7.286
  685   2HZ   LYS  29          2HZ       LYS  29  -8.160  -8.854   7.271
  686   3HZ   LYS  29          3HZ       LYS  29  -6.851  -8.156   6.460
  687    H    ILE  30           H        ILE  30 -10.509  -3.200   1.778
  688    HA   ILE  30           HA       ILE  30 -11.826  -0.915   2.701
  689    HB   ILE  30           HB       ILE  30 -10.189  -1.269   0.185
  690   1HG1  ILE  30          1HG1      ILE  30  -9.429  -0.324   2.959
  691   2HG1  ILE  30          2HG1      ILE  30  -8.974  -1.859   2.231
  692   1HG2  ILE  30          1HG2      ILE  30 -11.000   1.243   1.652
  693   2HG2  ILE  30          2HG2      ILE  30  -9.854   1.172   0.313
  694   3HG2  ILE  30          3HG2      ILE  30 -11.543   0.742   0.051
  695   1HD1  ILE  30          1HD1      ILE  30  -8.198   0.768   1.016
  696   2HD1  ILE  30          2HD1      ILE  30  -7.229  -0.028   2.257
  697   3HD1  ILE  30          3HD1      ILE  30  -7.518  -0.832   0.714
  698    H    GLN  31           H        GLN  31 -12.444  -3.054   0.016
  699    HA   GLN  31           HA       GLN  31 -14.206  -1.437  -1.475
  700   1HB   GLN  31          1HB       GLN  31 -14.384  -4.438  -1.126
  701   2HB   GLN  31          2HB       GLN  31 -14.988  -3.491  -2.478
  702   1HG   GLN  31          1HG       GLN  31 -12.740  -2.965  -3.166
  703   2HG   GLN  31          2HG       GLN  31 -12.084  -3.792  -1.757
  704   1HE2  GLN  31          2HE2      GLN  31 -14.767  -5.433  -2.856
  705   2HE2  GLN  31          1HE2      GLN  31 -13.976  -6.629  -3.815
  706    H    ASP  32           H        ASP  32 -14.650  -3.728   1.173
  707    HA   ASP  32           HA       ASP  32 -17.450  -3.421   1.407
  708   1HB   ASP  32          1HB       ASP  32 -15.409  -4.266   3.475
  709   2HB   ASP  32          2HB       ASP  32 -17.152  -4.435   3.652
  710    H    LYS  33           H        LYS  33 -14.661  -1.807   2.697
  711    HA   LYS  33           HA       LYS  33 -15.867  -0.204   4.649
  712   1HB   LYS  33          1HB       LYS  33 -13.376   0.125   2.983
  713   2HB   LYS  33          2HB       LYS  33 -13.835   1.286   4.224
  714   1HG   LYS  33          1HG       LYS  33 -13.307  -1.645   4.674
  715   2HG   LYS  33          2HG       LYS  33 -12.183  -0.332   5.020
  716   1HD   LYS  33          1HD       LYS  33 -13.809   0.614   6.609
  717   2HD   LYS  33          2HD       LYS  33 -14.886  -0.748   6.292
  718   1HE   LYS  33          1HE       LYS  33 -13.168  -2.288   7.112
  719   2HE   LYS  33          2HE       LYS  33 -12.104  -0.922   7.437
  720   1HZ   LYS  33          1HZ       LYS  33 -14.707  -0.692   8.650
  721   2HZ   LYS  33          2HZ       LYS  33 -13.810  -2.007   9.218
  722   3HZ   LYS  33          3HZ       LYS  33 -13.176  -0.441   9.321
  723    H    GLU  34           H        GLU  34 -15.686   0.054   1.191
  724    HA   GLU  34           HA       GLU  34 -17.547   2.294   1.254
  725   1HB   GLU  34          1HB       GLU  34 -14.927   2.394  -0.255
  726   2HB   GLU  34          2HB       GLU  34 -16.236   3.550  -0.440
  727   1HG   GLU  34          1HG       GLU  34 -14.725   3.043   2.112
  728   2HG   GLU  34          2HG       GLU  34 -14.416   4.369   0.991
  729    H    GLY  35           H        GLY  35 -15.556   1.080  -1.415
  730   1HA   GLY  35          1HA       GLY  35 -17.986   0.453  -2.897
  731   2HA   GLY  35          2HA       GLY  35 -16.921  -0.899  -2.549
  732    H    ILE  36           H        ILE  36 -14.438   0.295  -2.882
  733    HA   ILE  36           HA       ILE  36 -14.494   1.139  -5.697
  734    HB   ILE  36           HB       ILE  36 -11.925   1.624  -4.672
  735   1HG1  ILE  36          1HG1      ILE  36 -12.500   3.267  -2.837
  736   2HG1  ILE  36          2HG1      ILE  36 -14.101   2.535  -2.781
  737   1HG2  ILE  36          1HG2      ILE  36 -14.190   3.142  -5.755
  738   2HG2  ILE  36          2HG2      ILE  36 -13.032   4.079  -4.812
  739   3HG2  ILE  36          3HG2      ILE  36 -12.486   3.150  -6.209
  740   1HD1  ILE  36          1HD1      ILE  36 -12.674   0.329  -2.491
  741   2HD1  ILE  36          2HD1      ILE  36 -11.497   1.481  -1.860
  742   3HD1  ILE  36          3HD1      ILE  36 -13.097   1.364  -1.126
  743    HA   PRO  37           HA       PRO  37 -12.855  -2.853  -6.828
  744   1HB   PRO  37          1HB       PRO  37 -11.567  -1.080  -8.872
  745   2HB   PRO  37          2HB       PRO  37 -12.378  -2.634  -9.091
  746   1HG   PRO  37          1HG       PRO  37 -13.623  -0.366  -9.701
  747   2HG   PRO  37          2HG       PRO  37 -14.498  -1.694  -8.921
  748   1HD   PRO  37          1HD       PRO  37 -13.572   0.888  -7.781
  749   2HD   PRO  37          2HD       PRO  37 -14.974  -0.103  -7.340
  750    HA   PRO  38           HA       PRO  38  -8.903  -2.850  -4.823
  751   1HB   PRO  38          1HB       PRO  38  -7.830  -5.033  -6.172
  752   2HB   PRO  38          2HB       PRO  38  -8.825  -5.114  -4.719
  753   1HG   PRO  38          1HG       PRO  38  -9.591  -5.521  -7.566
  754   2HG   PRO  38          2HG       PRO  38 -10.183  -6.342  -6.113
  755   1HD   PRO  38          1HD       PRO  38 -11.629  -4.454  -7.372
  756   2HD   PRO  38          2HD       PRO  38 -11.672  -4.649  -5.610
  757    H    ASP  39           H        ASP  39  -9.072  -3.155  -8.339
  758    HA   ASP  39           HA       ASP  39  -6.378  -2.514  -8.871
  759   1HB   ASP  39          1HB       ASP  39  -8.828  -2.142 -10.607
  760   2HB   ASP  39          2HB       ASP  39  -7.163  -2.055 -11.171
  761    H    GLN  40           H        GLN  40  -9.287  -0.535  -8.527
  762    HA   GLN  40           HA       GLN  40  -8.194   1.882  -9.412
  763   1HB   GLN  40          1HB       GLN  40 -10.436   1.321  -7.477
  764   2HB   GLN  40          2HB       GLN  40 -10.033   2.936  -8.050
  765   1HG   GLN  40          1HG       GLN  40 -10.425   2.175 -10.363
  766   2HG   GLN  40          2HG       GLN  40 -10.917   0.604  -9.734
  767   1HE2  GLN  40          2HE2      GLN  40 -12.009   2.488  -7.413
  768   2HE2  GLN  40          1HE2      GLN  40 -13.575   2.891  -8.017
  769    H    GLN  41           H        GLN  41  -8.211   0.386  -6.209
  770    HA   GLN  41           HA       GLN  41  -7.218   2.566  -4.758
  771   1HB   GLN  41          1HB       GLN  41  -6.830  -0.398  -4.297
  772   2HB   GLN  41          2HB       GLN  41  -6.469   0.857  -3.116
  773   1HG   GLN  41          1HG       GLN  41  -8.770   1.481  -2.974
  774   2HG   GLN  41          2HG       GLN  41  -9.192   0.421  -4.316
  775   1HE2  GLN  41          2HE2      GLN  41 -10.279  -1.258  -3.637
  776   2HE2  GLN  41          1HE2      GLN  41  -9.980  -2.159  -2.194
  777    H    ARG  42           H        ARG  42  -5.315   3.560  -4.789
  778    HA   ARG  42           HA       ARG  42  -3.145   2.373  -6.291
  779   1HB   ARG  42          1HB       ARG  42  -3.811   4.638  -6.889
  780   2HB   ARG  42          2HB       ARG  42  -3.499   5.175  -5.246
  781   1HG   ARG  42          1HG       ARG  42  -1.690   5.837  -6.697
  782   2HG   ARG  42          2HG       ARG  42  -1.123   4.640  -5.532
  783   1HD   ARG  42          1HD       ARG  42  -0.234   4.167  -7.744
  784   2HD   ARG  42          2HD       ARG  42  -1.333   2.891  -7.229
  785    HE   ARG  42           HE       ARG  42  -2.794   4.753  -8.715
  786   1HH1  ARG  42          1HH1      ARG  42  -0.250   2.414  -9.163
  787   2HH1  ARG  42          2HH1      ARG  42  -0.650   2.104 -10.820
  788   1HH2  ARG  42          1HH2      ARG  42  -3.330   4.353 -10.893
  789   2HH2  ARG  42          2HH2      ARG  42  -2.404   3.208 -11.804
  790    H    LEU  43           H        LEU  43  -1.446   1.439  -5.354
  791    HA   LEU  43           HA       LEU  43  -1.177   1.462  -2.501
  792   1HB   LEU  43          1HB       LEU  43   0.702   0.345  -4.581
  793   2HB   LEU  43          2HB       LEU  43   0.765   0.020  -2.861
  794    HG   LEU  43           HG       LEU  43  -1.302  -0.904  -4.842
  795   1HD1  LEU  43          1HD1      LEU  43  -2.412  -0.078  -2.787
  796   2HD1  LEU  43          2HD1      LEU  43  -2.575  -1.821  -3.010
  797   3HD1  LEU  43          3HD1      LEU  43  -1.415  -1.185  -1.843
  798   1HD2  LEU  43          1HD2      LEU  43   0.724  -2.225  -3.069
  799   2HD2  LEU  43          2HD2      LEU  43  -0.660  -3.106  -3.718
  800   3HD2  LEU  43          3HD2      LEU  43   0.513  -2.376  -4.814
  801    H    ILE  44           H        ILE  44   0.200   2.567  -1.247
  802    HA   ILE  44           HA       ILE  44   2.369   4.085  -2.467
  803    HB   ILE  44           HB       ILE  44   0.261   5.365  -0.729
  804   1HG1  ILE  44          1HG1      ILE  44   1.090   5.898  -3.592
  805   2HG1  ILE  44          2HG1      ILE  44  -0.392   5.088  -3.090
  806   1HG2  ILE  44          1HG2      ILE  44   3.037   6.078  -1.304
  807   2HG2  ILE  44          2HG2      ILE  44   1.885   7.373  -1.625
  808   3HG2  ILE  44          3HG2      ILE  44   1.962   6.640  -0.022
  809   1HD1  ILE  44          1HD1      ILE  44   0.132   7.797  -2.023
  810   2HD1  ILE  44          2HD1      ILE  44  -0.337   7.642  -3.716
  811   3HD1  ILE  44          3HD1      ILE  44  -1.392   7.017  -2.447
  812    H    PHE  45           H        PHE  45   4.152   3.834  -1.318
  813    HA   PHE  45           HA       PHE  45   3.902   3.035   1.505
  814   1HB   PHE  45          1HB       PHE  45   6.128   2.349  -0.429
  815   2HB   PHE  45          2HB       PHE  45   5.974   1.775   1.227
  816    HD1  PHE  45           HD1      PHE  45   5.208  -0.366   1.493
  817    HD2  PHE  45           HD2      PHE  45   3.932   1.859  -1.903
  818    HE1  PHE  45           HE1      PHE  45   3.962  -2.325   0.678
  819    HE2  PHE  45           HE2      PHE  45   2.682  -0.095  -2.719
  820    HZ   PHE  45           HZ       PHE  45   2.696  -2.190  -1.428
  821    H    ALA  46           H        ALA  46   5.326   3.945   3.023
  822    HA   ALA  46           HA       ALA  46   7.208   5.977   2.106
  823   1HB   ALA  46          1HB       ALA  46   6.184   7.809   2.964
  824   2HB   ALA  46          2HB       ALA  46   5.387   6.901   4.249
  825   3HB   ALA  46          3HB       ALA  46   4.741   6.859   2.609
  826    H    GLY  47           H        GLY  47   8.997   5.984   3.309
  827   1HA   GLY  47          1HA       GLY  47  10.490   5.398   4.952
  828   2HA   GLY  47          2HA       GLY  47   9.348   4.160   5.443
  829    H    LYS  48           H        LYS  48   9.149   4.350   7.576
  830    HA   LYS  48           HA       LYS  48   8.017   6.780   8.669
  831   1HB   LYS  48          1HB       LYS  48   7.151   4.578   9.348
  832   2HB   LYS  48          2HB       LYS  48   8.728   4.158   9.999
  833   1HG   LYS  48          1HG       LYS  48   7.236   4.786  11.785
  834   2HG   LYS  48          2HG       LYS  48   8.527   5.980  11.634
  835   1HD   LYS  48          1HD       LYS  48   7.019   7.446  10.378
  836   2HD   LYS  48          2HD       LYS  48   5.728   6.254  10.539
  837   1HE   LYS  48          1HE       LYS  48   5.840   6.485  12.981
  838   2HE   LYS  48          2HE       LYS  48   7.103   7.701  12.800
  839   1HZ   LYS  48          1HZ       LYS  48   4.536   8.087  11.425
  840   2HZ   LYS  48          2HZ       LYS  48   4.639   8.415  13.081
  841   3HZ   LYS  48          3HZ       LYS  48   5.635   9.241  11.992
  842    H    GLN  49           H        GLN  49  10.010   8.057   8.185
  843    HA   GLN  49           HA       GLN  49  12.335   7.514   9.773
  844   1HB   GLN  49          1HB       GLN  49  13.198   9.625   8.976
  845   2HB   GLN  49          2HB       GLN  49  12.453   8.781   7.628
  846   1HG   GLN  49          1HG       GLN  49  10.484  10.188   7.814
  847   2HG   GLN  49          2HG       GLN  49  11.197  11.017   9.197
  848   1HE2  GLN  49          2HE2      GLN  49  12.006  12.915   8.706
  849   2HE2  GLN  49          1HE2      GLN  49  12.748  13.356   7.209
  850    H    LEU  50           H        LEU  50  12.394   7.769  11.880
  851    HA   LEU  50           HA       LEU  50  10.358   8.922  13.386
  852   1HB   LEU  50          1HB       LEU  50  13.216   8.473  14.237
  853   2HB   LEU  50          2HB       LEU  50  11.832   8.651  15.301
  854    HG   LEU  50           HG       LEU  50  11.240   6.534  13.512
  855   1HD1  LEU  50          1HD1      LEU  50  11.241   7.112  16.300
  856   2HD1  LEU  50          2HD1      LEU  50  10.366   5.849  15.429
  857   3HD1  LEU  50          3HD1      LEU  50  11.984   5.531  16.054
  858   1HD2  LEU  50          1HD2      LEU  50  14.057   6.545  14.511
  859   2HD2  LEU  50          2HD2      LEU  50  13.183   5.024  14.343
  860   3HD2  LEU  50          3HD2      LEU  50  13.427   6.059  12.936
  861    H    GLU  51           H        GLU  51  10.039  10.965  12.354
  862    HA   GLU  51           HA       GLU  51  11.920  13.033  12.265
  863   1HB   GLU  51          1HB       GLU  51   9.799  13.112  11.043
  864   2HB   GLU  51          2HB       GLU  51   8.914  13.219  12.558
  865   1HG   GLU  51          1HG       GLU  51   9.979  15.371  13.025
  866   2HG   GLU  51          2HG       GLU  51  10.852  15.265  11.499

  No H/Q in entry =         866
  Start of MODEL    9
    1    H1   GLY  -1           H1       GLY  -1   3.125  -0.766 -17.075
    2    H2   GLY  -1           H2       GLY  -1   3.436   0.544 -16.048
    3    H3   GLY  -1           H3       GLY  -1   4.715  -0.244 -16.828
    4   1HA   GLY  -1          1HA       GLY  -1   4.310  -0.772 -14.375
    5   2HA   GLY  -1          2HA       GLY  -1   4.608  -2.100 -15.483
    6    H    SER   0           H        SER   0   3.443  -3.739 -14.685
    7    HA   SER   0           HA       SER   0   0.658  -3.819 -14.990
    8   1HB   SER   0          1HB       SER   0   2.360  -5.621 -13.252
    9   2HB   SER   0          2HB       SER   0   0.758  -5.987 -13.888
   10    HG   SER   0           HG       SER   0   3.076  -6.445 -15.033
   11    H    MET   1           H        MET   1   2.683  -3.266 -12.149
   12    HA   MET   1           HA       MET   1   0.574  -1.858 -10.827
   13   1HB   MET   1          1HB       MET   1  -0.123  -4.161 -10.365
   14   2HB   MET   1          2HB       MET   1   1.458  -4.517  -9.691
   15   1HG   MET   1          1HG       MET   1  -0.204  -4.168  -7.954
   16   2HG   MET   1          2HG       MET   1   1.070  -2.953  -7.883
   17   1HE   MET   1          1HE       MET   1  -1.447  -2.655  -6.281
   18   2HE   MET   1          2HE       MET   1  -0.410  -1.231  -6.365
   19   3HE   MET   1          3HE       MET   1  -2.144  -1.077  -6.653
   20    H    GLN   2           H        GLN   2   2.996  -0.919 -11.555
   21    HA   GLN   2           HA       GLN   2   5.077  -1.175  -9.699
   22   1HB   GLN   2          1HB       GLN   2   5.866   0.995 -10.631
   23   2HB   GLN   2          2HB       GLN   2   5.468  -0.188 -11.866
   24   1HG   GLN   2          1HG       GLN   2   3.250   0.925 -12.113
   25   2HG   GLN   2          2HG       GLN   2   3.822   2.178 -11.015
   26   1HE2  GLN   2          2HE2      GLN   2   3.386   1.453 -14.157
   27   2HE2  GLN   2          1HE2      GLN   2   4.574   2.479 -14.875
   28    H    ILE   3           H        ILE   3   4.897  -0.811  -7.611
   29    HA   ILE   3           HA       ILE   3   2.967   0.945  -6.465
   30    HB   ILE   3           HB       ILE   3   4.110   0.370  -4.311
   31   1HG1  ILE   3          1HG1      ILE   3   5.795  -1.397  -6.095
   32   2HG1  ILE   3          2HG1      ILE   3   6.370   0.029  -5.243
   33   1HG2  ILE   3          1HG2      ILE   3   2.222  -0.921  -5.211
   34   2HG2  ILE   3          2HG2      ILE   3   3.362  -1.981  -6.040
   35   3HG2  ILE   3          3HG2      ILE   3   3.334  -1.922  -4.277
   36   1HD1  ILE   3          1HD1      ILE   3   5.185  -1.581  -3.294
   37   2HD1  ILE   3          2HD1      ILE   3   6.122  -2.668  -4.318
   38   3HD1  ILE   3          3HD1      ILE   3   6.904  -1.286  -3.552
   39    H    PHE   4           H        PHE   4   3.171   2.979  -5.777
   40    HA   PHE   4           HA       PHE   4   5.676   4.373  -6.280
   41   1HB   PHE   4          1HB       PHE   4   2.963   5.413  -5.417
   42   2HB   PHE   4          2HB       PHE   4   4.357   6.420  -5.778
   43    HD1  PHE   4           HD1      PHE   4   2.595   3.583  -7.463
   44    HD2  PHE   4           HD2      PHE   4   4.219   7.504  -7.777
   45    HE1  PHE   4           HE1      PHE   4   1.928   3.665  -9.830
   46    HE2  PHE   4           HE2      PHE   4   3.555   7.593 -10.144
   47    HZ   PHE   4           HZ       PHE   4   2.408   5.673 -11.174
   48    H    VAL   5           H        VAL   5   7.053   5.009  -4.690
   49    HA   VAL   5           HA       VAL   5   6.103   5.028  -1.919
   50    HB   VAL   5           HB       VAL   5   8.528   3.469  -2.817
   51   1HG1  VAL   5          1HG1      VAL   5   5.743   2.705  -2.272
   52   2HG1  VAL   5          2HG1      VAL   5   6.962   1.923  -3.279
   53   3HG1  VAL   5          3HG1      VAL   5   6.974   1.683  -1.531
   54   1HG2  VAL   5          1HG2      VAL   5   7.957   4.673  -0.332
   55   2HG2  VAL   5          2HG2      VAL   5   7.746   2.935  -0.129
   56   3HG2  VAL   5          3HG2      VAL   5   9.276   3.573  -0.734
   57    H    LYS   6           H        LYS   6   6.922   6.659  -0.764
   58    HA   LYS   6           HA       LYS   6   8.961   8.339  -2.003
   59   1HB   LYS   6          1HB       LYS   6   7.246   8.795   0.446
   60   2HB   LYS   6          2HB       LYS   6   8.367   9.964  -0.232
   61   1HG   LYS   6          1HG       LYS   6   7.059  10.022  -2.296
   62   2HG   LYS   6          2HG       LYS   6   5.930   8.856  -1.607
   63   1HD   LYS   6          1HD       LYS   6   5.376  10.436   0.172
   64   2HD   LYS   6          2HD       LYS   6   6.514  11.601  -0.502
   65   1HE   LYS   6          1HE       LYS   6   5.207  11.690  -2.565
   66   2HE   LYS   6          2HE       LYS   6   4.071  10.519  -1.897
   67   1HZ   LYS   6          1HZ       LYS   6   3.684  12.167  -0.069
   68   2HZ   LYS   6          2HZ       LYS   6   4.559  13.293  -0.978
   69   3HZ   LYS   6          3HZ       LYS   6   3.125  12.641  -1.594
   70    H    THR   7           H        THR   7  11.033   8.229  -1.419
   71    HA   THR   7           HA       THR   7  11.896   6.464   0.639
   72    HB   THR   7           HB       THR   7  14.170   7.323   0.151
   73    HG1  THR   7           HG1      THR   7  14.452   9.088  -1.027
   74   1HG2  THR   7          1HG2      THR   7  13.160   5.522  -1.211
   75   2HG2  THR   7          2HG2      THR   7  12.570   6.739  -2.342
   76   3HG2  THR   7          3HG2      THR   7  14.304   6.504  -2.127
   77    H    LEU   8           H        LEU   8  14.091   7.997   1.676
   78    HA   LEU   8           HA       LEU   8  12.699   9.305   3.839
   79   1HB   LEU   8          1HB       LEU   8  15.654   8.904   3.364
   80   2HB   LEU   8          2HB       LEU   8  14.947   9.541   4.835
   81    HG   LEU   8           HG       LEU   8  15.514   7.248   5.220
   82   1HD1  LEU   8          1HD1      LEU   8  13.273   8.146   6.018
   83   2HD1  LEU   8          2HD1      LEU   8  12.562   7.186   4.722
   84   3HD1  LEU   8          3HD1      LEU   8  13.484   6.395   6.000
   85   1HD2  LEU   8          1HD2      LEU   8  15.602   6.552   2.866
   86   2HD2  LEU   8          2HD2      LEU   8  14.709   5.422   3.882
   87   3HD2  LEU   8          3HD2      LEU   8  13.840   6.536   2.827
   88    H    THR   9           H        THR   9  15.092  10.236   1.383
   89    HA   THR   9           HA       THR   9  15.101  12.989   2.140
   90    HB   THR   9           HB       THR   9  16.370  13.361   0.061
   91    HG1  THR   9           HG1      THR   9  15.361  10.830  -0.506
   92   1HG2  THR   9          1HG2      THR   9  17.229  10.953   1.668
   93   2HG2  THR   9          2HG2      THR   9  18.280  11.860   0.580
   94   3HG2  THR   9          3HG2      THR   9  17.605  12.643   2.009
   95    H    GLY  10           H        GLY  10  13.574  11.163  -0.511
   96   1HA   GLY  10          1HA       GLY  10  12.266  13.544  -1.514
   97   2HA   GLY  10          2HA       GLY  10  11.199  12.433  -0.669
   98    H    LYS  11           H        LYS  11  13.936  11.392  -2.588
   99    HA   LYS  11           HA       LYS  11  12.893  11.079  -5.086
  100   1HB   LYS  11          1HB       LYS  11  15.202  10.535  -4.550
  101   2HB   LYS  11          2HB       LYS  11  14.683   9.147  -3.607
  102   1HG   LYS  11          1HG       LYS  11  13.763   8.132  -5.657
  103   2HG   LYS  11          2HG       LYS  11  14.378   9.504  -6.582
  104   1HD   LYS  11          1HD       LYS  11  16.058   7.606  -4.946
  105   2HD   LYS  11          2HD       LYS  11  15.876   7.557  -6.700
  106   1HE   LYS  11          1HE       LYS  11  16.841   9.798  -6.861
  107   2HE   LYS  11          2HE       LYS  11  17.023   9.846  -5.108
  108   1HZ   LYS  11          1HZ       LYS  11  18.281   7.731  -6.749
  109   2HZ   LYS  11          2HZ       LYS  11  19.049   9.209  -6.457
  110   3HZ   LYS  11          3HZ       LYS  11  18.654   8.192  -5.164
  111    H    THR  12           H        THR  12  11.374   9.912  -6.045
  112    HA   THR  12           HA       THR  12   9.803   8.044  -4.452
  113    HB   THR  12           HB       THR  12   9.310   9.035  -7.264
  114    HG1  THR  12           HG1      THR  12   9.034  10.810  -6.029
  115   1HG2  THR  12          1HG2      THR  12   8.213   6.852  -6.196
  116   2HG2  THR  12          2HG2      THR  12   7.139   8.059  -5.490
  117   3HG2  THR  12          3HG2      THR  12   7.306   7.945  -7.242
  118    H    ILE  13           H        ILE  13   9.472   5.881  -4.999
  119    HA   ILE  13           HA       ILE  13  11.308   4.819  -7.045
  120    HB   ILE  13           HB       ILE  13  11.051   2.654  -5.597
  121   1HG1  ILE  13          1HG1      ILE  13  10.655   4.827  -3.535
  122   2HG1  ILE  13          2HG1      ILE  13   9.439   3.651  -4.023
  123   1HG2  ILE  13          1HG2      ILE  13  12.903   4.927  -5.415
  124   2HG2  ILE  13          2HG2      ILE  13  12.989   3.737  -4.112
  125   3HG2  ILE  13          3HG2      ILE  13  13.200   3.225  -5.789
  126   1HD1  ILE  13          1HD1      ILE  13  11.817   2.279  -3.255
  127   2HD1  ILE  13          2HD1      ILE  13  11.355   3.419  -1.991
  128   3HD1  ILE  13          3HD1      ILE  13  10.204   2.203  -2.547
  129    H    THR  14           H        THR  14  10.462   3.718  -8.635
  130    HA   THR  14           HA       THR  14   7.672   2.833  -8.449
  131    HB   THR  14           HB       THR  14   8.200   2.318 -10.997
  132    HG1  THR  14           HG1      THR  14   9.747   4.626 -10.846
  133   1HG2  THR  14          1HG2      THR  14   6.815   4.259  -9.639
  134   2HG2  THR  14          2HG2      THR  14   7.878   5.201 -10.687
  135   3HG2  THR  14          3HG2      THR  14   6.786   4.006 -11.383
  136    H    LEU  15           H        LEU  15   7.183   0.709  -8.379
  137    HA   LEU  15           HA       LEU  15   9.146  -1.262  -9.205
  138   1HB   LEU  15          1HB       LEU  15   9.999  -1.004  -7.063
  139   2HB   LEU  15          2HB       LEU  15   8.429  -0.656  -6.374
  140    HG   LEU  15           HG       LEU  15   7.809  -3.025  -6.558
  141   1HD1  LEU  15          1HD1      LEU  15  10.350  -2.366  -5.094
  142   2HD1  LEU  15          2HD1      LEU  15   8.697  -2.326  -4.477
  143   3HD1  LEU  15          3HD1      LEU  15   9.458  -3.871  -4.865
  144   1HD2  LEU  15          1HD2      LEU  15  10.034  -3.135  -8.301
  145   2HD2  LEU  15          2HD2      LEU  15  10.358  -4.199  -6.933
  146   3HD2  LEU  15          3HD2      LEU  15   8.892  -4.412  -7.887
  147    H    GLU  16           H        GLU  16   7.979  -2.577 -10.416
  148    HA   GLU  16           HA       GLU  16   5.177  -2.924 -10.180
  149   1HB   GLU  16          1HB       GLU  16   6.307  -3.108 -12.324
  150   2HB   GLU  16          2HB       GLU  16   7.252  -4.470 -11.740
  151   1HG   GLU  16          1HG       GLU  16   5.153  -5.754 -11.478
  152   2HG   GLU  16          2HG       GLU  16   4.281  -4.402 -12.200
  153    H    VAL  17           H        VAL  17   4.003  -4.429  -9.173
  154    HA   VAL  17           HA       VAL  17   5.148  -6.924  -8.268
  155    HB   VAL  17           HB       VAL  17   4.360  -6.600  -5.913
  156   1HG1  VAL  17          1HG1      VAL  17   2.961  -4.558  -6.594
  157   2HG1  VAL  17          2HG1      VAL  17   3.805  -4.520  -5.046
  158   3HG1  VAL  17          3HG1      VAL  17   4.468  -3.658  -6.434
  159   1HG2  VAL  17          1HG2      VAL  17   6.725  -6.474  -6.505
  160   2HG2  VAL  17          2HG2      VAL  17   6.555  -4.745  -6.809
  161   3HG2  VAL  17          3HG2      VAL  17   6.328  -5.380  -5.180
  162    H    GLU  18           H        GLU  18   3.635  -8.502  -8.121
  163    HA   GLU  18           HA       GLU  18   1.061  -7.972  -9.212
  164   1HB   GLU  18          1HB       GLU  18   2.038 -10.503  -7.886
  165   2HB   GLU  18          2HB       GLU  18   0.683 -10.353  -8.996
  166   1HG   GLU  18          1HG       GLU  18   3.555  -9.793  -9.703
  167   2HG   GLU  18          2HG       GLU  18   2.709 -11.305 -10.033
  168    HA   PRO  19           HA       PRO  19  -1.350  -6.911  -5.657
  169   1HB   PRO  19          1HB       PRO  19  -3.604  -8.416  -6.369
  170   2HB   PRO  19          2HB       PRO  19  -3.294  -6.741  -6.816
  171   1HG   PRO  19          1HG       PRO  19  -2.850  -9.233  -8.384
  172   2HG   PRO  19          2HG       PRO  19  -3.381  -7.636  -8.937
  173   1HD   PRO  19          1HD       PRO  19  -0.879  -8.471  -9.359
  174   2HD   PRO  19          2HD       PRO  19  -1.212  -6.780  -8.929
  175    H    SER  20           H        SER  20  -1.302 -10.245  -6.790
  176    HA   SER  20           HA       SER  20  -2.213 -11.456  -4.424
  177   1HB   SER  20          1HB       SER  20  -2.213 -12.598  -6.586
  178   2HB   SER  20          2HB       SER  20  -0.451 -12.572  -6.615
  179    HG   SER  20           HG       SER  20  -1.505 -14.567  -5.842
  180    H    ASP  21           H        ASP  21   0.981 -10.440  -5.484
  181    HA   ASP  21           HA       ASP  21   2.561 -11.834  -3.669
  182   1HB   ASP  21          1HB       ASP  21   2.905  -9.119  -4.943
  183   2HB   ASP  21          2HB       ASP  21   4.121  -9.804  -3.868
  184    H    THR  22           H        THR  22   2.914 -11.712  -1.552
  185    HA   THR  22           HA       THR  22   1.191 -10.337   0.158
  186    HB   THR  22           HB       THR  22   2.704 -10.985   1.983
  187    HG1  THR  22           HG1      THR  22   4.685 -11.888   1.541
  188   1HG2  THR  22          1HG2      THR  22   1.139 -12.636   1.102
  189   2HG2  THR  22          2HG2      THR  22   2.333 -13.145  -0.092
  190   3HG2  THR  22          3HG2      THR  22   2.637 -13.406   1.626
  191    H    ILE  23           H        ILE  23   1.432  -8.573   1.499
  192    HA   ILE  23           HA       ILE  23   2.732  -6.317   0.472
  193    HB   ILE  23           HB       ILE  23   1.857  -6.783   3.330
  194   1HG1  ILE  23          1HG1      ILE  23   0.353  -5.563   1.003
  195   2HG1  ILE  23          2HG1      ILE  23   0.045  -7.151   1.692
  196   1HG2  ILE  23          1HG2      ILE  23   3.426  -4.827   2.752
  197   2HG2  ILE  23          2HG2      ILE  23   2.020  -4.130   1.948
  198   3HG2  ILE  23          3HG2      ILE  23   1.963  -4.483   3.675
  199   1HD1  ILE  23          1HD1      ILE  23  -0.145  -5.528   3.878
  200   2HD1  ILE  23          2HD1      ILE  23  -0.810  -4.521   2.593
  201   3HD1  ILE  23          3HD1      ILE  23  -1.498  -6.113   2.912
  202    H    GLU  24           H        GLU  24   3.771  -8.804   2.657
  203    HA   GLU  24           HA       GLU  24   6.021  -7.510   3.762
  204   1HB   GLU  24          1HB       GLU  24   5.170  -9.431   4.870
  205   2HB   GLU  24          2HB       GLU  24   5.253 -10.403   3.411
  206   1HG   GLU  24          1HG       GLU  24   7.657 -10.379   3.488
  207   2HG   GLU  24          2HG       GLU  24   7.627  -9.320   4.895
  208    H    ASN  25           H        ASN  25   5.526  -9.423   0.843
  209    HA   ASN  25           HA       ASN  25   8.289  -9.619   0.174
  210   1HB   ASN  25          1HB       ASN  25   5.802  -9.983  -1.504
  211   2HB   ASN  25          2HB       ASN  25   7.431 -10.324  -2.070
  212   1HD2  ASN  25          2HD2      ASN  25   7.452 -11.045   1.123
  213   2HD2  ASN  25          1HD2      ASN  25   7.069 -12.725   1.046
  214    H    VAL  26           H        VAL  26   5.643  -7.518  -0.951
  215    HA   VAL  26           HA       VAL  26   7.096  -6.107  -2.866
  216    HB   VAL  26           HB       VAL  26   5.422  -4.348  -2.679
  217   1HG1  VAL  26          1HG1      VAL  26   4.450  -7.184  -2.597
  218   2HG1  VAL  26          2HG1      VAL  26   3.364  -5.832  -2.918
  219   3HG1  VAL  26          3HG1      VAL  26   4.719  -6.150  -4.000
  220   1HG2  VAL  26          1HG2      VAL  26   5.314  -4.989  -0.015
  221   2HG2  VAL  26          2HG2      VAL  26   4.202  -3.917  -0.865
  222   3HG2  VAL  26          3HG2      VAL  26   3.787  -5.615  -0.637
  223    H    LYS  27           H        LYS  27   6.726  -5.521   0.608
  224    HA   LYS  27           HA       LYS  27   8.146  -3.068   0.655
  225   1HB   LYS  27          1HB       LYS  27   7.610  -5.112   2.814
  226   2HB   LYS  27          2HB       LYS  27   8.405  -3.575   3.113
  227   1HG   LYS  27          1HG       LYS  27   6.399  -2.403   2.311
  228   2HG   LYS  27          2HG       LYS  27   5.603  -3.961   2.086
  229   1HD   LYS  27          1HD       LYS  27   5.778  -4.436   4.450
  230   2HD   LYS  27          2HD       LYS  27   6.693  -2.951   4.710
  231   1HE   LYS  27          1HE       LYS  27   3.839  -3.130   3.758
  232   2HE   LYS  27          2HE       LYS  27   4.362  -2.686   5.380
  233   1HZ   LYS  27          1HZ       LYS  27   5.634  -1.081   3.406
  234   2HZ   LYS  27          2HZ       LYS  27   3.951  -0.984   3.272
  235   3HZ   LYS  27          3HZ       LYS  27   4.704  -0.608   4.738
  236    H    ALA  28           H        ALA  28   9.101  -6.435   1.085
  237    HA   ALA  28           HA       ALA  28  11.698  -6.120   1.967
  238   1HB   ALA  28          1HB       ALA  28  12.104  -8.322   0.724
  239   2HB   ALA  28          2HB       ALA  28  10.403  -8.225   0.270
  240   3HB   ALA  28          3HB       ALA  28  10.859  -8.296   1.972
  241    H    LYS  29           H        LYS  29  10.451  -5.990  -1.339
  242    HA   LYS  29           HA       LYS  29  12.948  -5.855  -2.650
  243   1HB   LYS  29          1HB       LYS  29  10.389  -4.583  -3.621
  244   2HB   LYS  29          2HB       LYS  29  11.718  -5.205  -4.588
  245   1HG   LYS  29          1HG       LYS  29  11.176  -7.478  -3.864
  246   2HG   LYS  29          2HG       LYS  29   9.834  -6.841  -2.907
  247   1HD   LYS  29          1HD       LYS  29   8.796  -5.974  -4.951
  248   2HD   LYS  29          2HD       LYS  29  10.133  -6.619  -5.903
  249   1HE   LYS  29          1HE       LYS  29   8.207  -8.231  -4.234
  250   2HE   LYS  29          2HE       LYS  29   8.188  -8.093  -5.990
  251   1HZ   LYS  29          1HZ       LYS  29  10.749  -8.894  -5.074
  252   2HZ   LYS  29          2HZ       LYS  29   9.563  -9.947  -4.486
  253   3HZ   LYS  29          3HZ       LYS  29   9.707  -9.679  -6.150
  254    H    ILE  30           H        ILE  30  10.751  -3.413  -1.369
  255    HA   ILE  30           HA       ILE  30  12.036  -1.127  -2.324
  256    HB   ILE  30           HB       ILE  30  10.578  -1.462   0.302
  257   1HG1  ILE  30          1HG1      ILE  30   9.562  -0.560  -2.405
  258   2HG1  ILE  30          2HG1      ILE  30   9.239  -2.125  -1.669
  259   1HG2  ILE  30          1HG2      ILE  30  11.487   0.949  -1.245
  260   2HG2  ILE  30          2HG2      ILE  30  10.129   1.033  -0.120
  261   3HG2  ILE  30          3HG2      ILE  30  11.728   0.572   0.462
  262   1HD1  ILE  30          1HD1      ILE  30   8.452   0.454  -0.358
  263   2HD1  ILE  30          2HD1      ILE  30   7.414  -0.391  -1.507
  264   3HD1  ILE  30          3HD1      ILE  30   7.886  -1.179  -0.001
  265    H    GLN  31           H        GLN  31  12.704  -3.187   0.449
  266    HA   GLN  31           HA       GLN  31  14.594  -1.548   1.742
  267   1HB   GLN  31          1HB       GLN  31  14.486  -4.574   1.631
  268   2HB   GLN  31          2HB       GLN  31  15.383  -3.620   2.804
  269   1HG   GLN  31          1HG       GLN  31  13.288  -2.708   3.664
  270   2HG   GLN  31          2HG       GLN  31  12.390  -3.664   2.489
  271   1HE2  GLN  31          2HE2      GLN  31  11.524  -5.412   3.316
  272   2HE2  GLN  31          1HE2      GLN  31  12.172  -6.371   4.598
  273    H    ASP  32           H        ASP  32  14.869  -4.054  -0.729
  274    HA   ASP  32           HA       ASP  32  17.674  -3.897  -1.040
  275   1HB   ASP  32          1HB       ASP  32  16.349  -5.823  -1.833
  276   2HB   ASP  32          2HB       ASP  32  15.563  -4.787  -3.020
  277    H    LYS  33           H        LYS  33  14.952  -2.195  -2.321
  278    HA   LYS  33           HA       LYS  33  16.184  -0.858  -4.467
  279   1HB   LYS  33          1HB       LYS  33  13.680  -1.143  -3.894
  280   2HB   LYS  33          2HB       LYS  33  13.900   0.256  -2.854
  281   1HG   LYS  33          1HG       LYS  33  12.998   0.911  -5.003
  282   2HG   LYS  33          2HG       LYS  33  14.617   1.577  -4.781
  283   1HD   LYS  33          1HD       LYS  33  15.571  -0.090  -6.210
  284   2HD   LYS  33          2HD       LYS  33  14.040  -0.961  -6.300
  285   1HE   LYS  33          1HE       LYS  33  14.583   1.803  -7.374
  286   2HE   LYS  33          2HE       LYS  33  14.440   0.330  -8.329
  287   1HZ   LYS  33          1HZ       LYS  33  12.284   1.518  -6.667
  288   2HZ   LYS  33          2HZ       LYS  33  12.392   1.617  -8.352
  289   3HZ   LYS  33          3HZ       LYS  33  12.150   0.117  -7.606
  290    H    GLU  34           H        GLU  34  16.031  -0.217  -1.028
  291    HA   GLU  34           HA       GLU  34  18.008   1.902  -1.366
  292   1HB   GLU  34          1HB       GLU  34  15.395   2.276   0.105
  293   2HB   GLU  34          2HB       GLU  34  16.772   3.356   0.269
  294   1HG   GLU  34          1HG       GLU  34  15.309   2.784  -2.298
  295   2HG   GLU  34          2HG       GLU  34  15.071   4.204  -1.281
  296    H    GLY  35           H        GLY  35  16.002   0.613   1.313
  297   1HA   GLY  35          1HA       GLY  35  18.492   0.245   2.841
  298   2HA   GLY  35          2HA       GLY  35  17.394  -1.111   2.650
  299    H    ILE  36           H        ILE  36  14.946   0.003   3.026
  300    HA   ILE  36           HA       ILE  36  15.105   1.037   5.773
  301    HB   ILE  36           HB       ILE  36  12.747   1.980   5.137
  302   1HG1  ILE  36          1HG1      ILE  36  14.145   1.890   2.452
  303   2HG1  ILE  36          2HG1      ILE  36  12.729   0.945   2.896
  304   1HG2  ILE  36          1HG2      ILE  36  15.428   3.040   5.046
  305   2HG2  ILE  36          2HG2      ILE  36  14.360   3.905   3.940
  306   3HG2  ILE  36          3HG2      ILE  36  13.943   3.776   5.649
  307   1HD1  ILE  36          1HD1      ILE  36  12.641   3.915   3.063
  308   2HD1  ILE  36          2HD1      ILE  36  12.453   3.098   1.509
  309   3HD1  ILE  36          3HD1      ILE  36  11.330   2.759   2.827
  310    HA   PRO  37           HA       PRO  37  12.998  -2.679   7.043
  311   1HB   PRO  37          1HB       PRO  37  11.805  -0.676   8.921
  312   2HB   PRO  37          2HB       PRO  37  12.453  -2.284   9.268
  313   1HG   PRO  37          1HG       PRO  37  13.885  -0.118   9.816
  314   2HG   PRO  37          2HG       PRO  37  14.661  -1.556   9.131
  315   1HD   PRO  37          1HD       PRO  37  13.998   1.037   7.833
  316   2HD   PRO  37          2HD       PRO  37  15.339  -0.078   7.510
  317    HA   PRO  38           HA       PRO  38   9.146  -2.341   4.838
  318   1HB   PRO  38          1HB       PRO  38   7.879  -4.479   6.057
  319   2HB   PRO  38          2HB       PRO  38   8.975  -4.602   4.679
  320   1HG   PRO  38          1HG       PRO  38   9.516  -5.054   7.580
  321   2HG   PRO  38          2HG       PRO  38  10.122  -5.944   6.172
  322   1HD   PRO  38          1HD       PRO  38  11.650  -4.167   7.481
  323   2HD   PRO  38          2HD       PRO  38  11.753  -4.363   5.720
  324    H    ASP  39           H        ASP  39   9.213  -2.655   8.348
  325    HA   ASP  39           HA       ASP  39   6.542  -1.996   8.877
  326   1HB   ASP  39          1HB       ASP  39   8.017  -2.962  10.571
  327   2HB   ASP  39          2HB       ASP  39   9.003  -1.504  10.566
  328    H    GLN  40           H        GLN  40   9.377   0.018   8.325
  329    HA   GLN  40           HA       GLN  40   8.333   2.460   9.176
  330   1HB   GLN  40          1HB       GLN  40  10.373   1.828   7.049
  331   2HB   GLN  40          2HB       GLN  40  10.018   3.459   7.597
  332   1HG   GLN  40          1HG       GLN  40  10.819   2.994   9.779
  333   2HG   GLN  40          2HG       GLN  40  10.920   1.268   9.441
  334   1HE2  GLN  40          2HE2      GLN  40  11.892   2.528   6.664
  335   2HE2  GLN  40          1HE2      GLN  40  13.591   2.664   6.934
  336    H    GLN  41           H        GLN  41   8.241   0.939   5.966
  337    HA   GLN  41           HA       GLN  41   7.018   3.038   4.591
  338   1HB   GLN  41          1HB       GLN  41   6.953   0.059   4.147
  339   2HB   GLN  41          2HB       GLN  41   6.180   1.191   3.050
  340   1HG   GLN  41          1HG       GLN  41   8.333   0.568   2.191
  341   2HG   GLN  41          2HG       GLN  41   8.350   2.266   2.654
  342   1HE2  GLN  41          2HE2      GLN  41   9.957  -0.632   2.852
  343   2HE2  GLN  41          1HE2      GLN  41  11.035  -0.258   4.147
  344    H    ARG  42           H        ARG  42   5.045   3.874   4.635
  345    HA   ARG  42           HA       ARG  42   2.998   2.540   6.206
  346   1HB   ARG  42          1HB       ARG  42   3.152   5.364   5.165
  347   2HB   ARG  42          2HB       ARG  42   1.828   4.727   6.125
  348   1HG   ARG  42          1HG       ARG  42   3.345   4.344   7.991
  349   2HG   ARG  42          2HG       ARG  42   4.693   4.948   7.027
  350   1HD   ARG  42          1HD       ARG  42   3.592   7.126   6.854
  351   2HD   ARG  42          2HD       ARG  42   2.243   6.524   7.812
  352    HE   ARG  42           HE       ARG  42   4.661   7.553   8.810
  353   1HH1  ARG  42          1HH1      ARG  42   2.417   4.940   9.362
  354   2HH1  ARG  42          2HH1      ARG  42   2.801   4.798  11.044
  355   1HH2  ARG  42          1HH2      ARG  42   5.167   7.371  11.024
  356   2HH2  ARG  42          2HH2      ARG  42   4.362   6.179  11.989
  357    H    LEU  43           H        LEU  43   1.235   1.629   5.318
  358    HA   LEU  43           HA       LEU  43   0.989   1.593   2.453
  359   1HB   LEU  43          1HB       LEU  43  -0.597   0.311   4.661
  360   2HB   LEU  43          2HB       LEU  43  -1.081   0.199   2.981
  361    HG   LEU  43           HG       LEU  43   1.450  -0.877   4.215
  362   1HD1  LEU  43          1HD1      LEU  43   1.869   0.102   1.990
  363   2HD1  LEU  43          2HD1      LEU  43   2.062  -1.652   2.012
  364   3HD1  LEU  43          3HD1      LEU  43   0.606  -0.934   1.322
  365   1HD2  LEU  43          1HD2      LEU  43  -1.090  -2.064   3.185
  366   2HD2  LEU  43          2HD2      LEU  43   0.411  -2.988   3.107
  367   3HD2  LEU  43          3HD2      LEU  43  -0.201  -2.427   4.664
  368    H    ILE  44           H        ILE  44  -0.332   2.713   1.200
  369    HA   ILE  44           HA       ILE  44  -2.631   4.091   2.351
  370    HB   ILE  44           HB       ILE  44  -0.493   5.523   0.772
  371   1HG1  ILE  44          1HG1      ILE  44  -1.463   5.881   3.617
  372   2HG1  ILE  44          2HG1      ILE  44   0.077   5.179   3.139
  373   1HG2  ILE  44          1HG2      ILE  44  -3.203   6.002   0.716
  374   2HG2  ILE  44          2HG2      ILE  44  -2.621   7.129   1.940
  375   3HG2  ILE  44          3HG2      ILE  44  -1.939   7.164   0.314
  376   1HD1  ILE  44          1HD1      ILE  44  -0.306   7.801   1.996
  377   2HD1  ILE  44          2HD1      ILE  44  -0.415   7.817   3.756
  378   3HD1  ILE  44          3HD1      ILE  44   1.024   7.169   2.967
  379    H    PHE  45           H        PHE  45  -4.346   3.890   1.066
  380    HA   PHE  45           HA       PHE  45  -3.898   3.183  -1.761
  381   1HB   PHE  45          1HB       PHE  45  -6.241   2.424   0.000
  382   2HB   PHE  45          2HB       PHE  45  -6.027   1.963  -1.683
  383    HD1  PHE  45           HD1      PHE  45  -3.910   1.826   1.403
  384    HD2  PHE  45           HD2      PHE  45  -5.514  -0.237  -1.956
  385    HE1  PHE  45           HE1      PHE  45  -2.749  -0.224   2.111
  386    HE2  PHE  45           HE2      PHE  45  -4.355  -2.289  -1.254
  387    HZ   PHE  45           HZ       PHE  45  -2.972  -2.285   0.783
  388    H    ALA  46           H        ALA  46  -5.176   4.182  -3.345
  389    HA   ALA  46           HA       ALA  46  -7.199   6.099  -2.514
  390   1HB   ALA  46          1HB       ALA  46  -5.555   7.674  -2.334
  391   2HB   ALA  46          2HB       ALA  46  -4.526   6.902  -3.541
  392   3HB   ALA  46          3HB       ALA  46  -5.936   7.832  -4.049
  393    H    GLY  47           H        GLY  47  -8.838   5.950  -3.872
  394   1HA   GLY  47          1HA       GLY  47 -10.072   5.362  -5.720
  395   2HA   GLY  47          2HA       GLY  47  -8.676   4.467  -6.293
  396    H    LYS  48           H        LYS  48 -10.701   6.471  -7.465
  397    HA   LYS  48           HA       LYS  48  -8.953   7.593  -9.381
  398   1HB   LYS  48          1HB       LYS  48 -11.847   8.193  -8.811
  399   2HB   LYS  48          2HB       LYS  48 -10.967   8.741 -10.232
  400   1HG   LYS  48          1HG       LYS  48 -10.559   6.377 -10.838
  401   2HG   LYS  48          2HG       LYS  48 -11.559   5.890  -9.469
  402   1HD   LYS  48          1HD       LYS  48 -13.460   7.095 -10.435
  403   2HD   LYS  48          2HD       LYS  48 -12.455   7.567 -11.807
  404   1HE   LYS  48          1HE       LYS  48 -12.146   5.216 -12.395
  405   2HE   LYS  48          2HE       LYS  48 -13.136   4.736 -11.018
  406   1HZ   LYS  48          1HZ       LYS  48 -14.222   6.550 -13.071
  407   2HZ   LYS  48          2HZ       LYS  48 -14.212   4.877 -13.329
  408   3HZ   LYS  48          3HZ       LYS  48 -15.050   5.525 -12.010
  409    H    GLN  49           H        GLN  49  -7.751   9.296  -9.303
  410    HA   GLN  49           HA       GLN  49  -7.907  11.148  -7.129
  411   1HB   GLN  49          1HB       GLN  49  -6.309  11.297  -9.697
  412   2HB   GLN  49          2HB       GLN  49  -6.091  12.340  -8.301
  413   1HG   GLN  49          1HG       GLN  49  -5.478  10.375  -6.955
  414   2HG   GLN  49          2HG       GLN  49  -5.636   9.367  -8.393
  415   1HE2  GLN  49          2HE2      GLN  49  -3.794   8.922  -9.341
  416   2HE2  GLN  49          1HE2      GLN  49  -2.385   9.920  -9.365
  417    H    LEU  50           H        LEU  50  -9.803  12.192  -7.143
  418    HA   LEU  50           HA       LEU  50 -11.345  13.067  -9.212
  419   1HB   LEU  50          1HB       LEU  50 -10.902  14.324  -6.511
  420   2HB   LEU  50          2HB       LEU  50 -12.127  14.887  -7.627
  421    HG   LEU  50           HG       LEU  50 -13.084  13.419  -5.923
  422   1HD1  LEU  50          1HD1      LEU  50 -10.749  11.904  -6.335
  423   2HD1  LEU  50          2HD1      LEU  50 -12.061  11.591  -5.202
  424   3HD1  LEU  50          3HD1      LEU  50 -12.102  10.884  -6.821
  425   1HD2  LEU  50          1HD2      LEU  50 -14.030  13.487  -8.210
  426   2HD2  LEU  50          2HD2      LEU  50 -13.074  12.061  -8.610
  427   3HD2  LEU  50          3HD2      LEU  50 -14.326  11.964  -7.371
  428    H    GLU  51           H        GLU  51  -9.840  13.682 -10.850
  429    HA   GLU  51           HA       GLU  51  -8.103  15.881 -10.682
  430   1HB   GLU  51          1HB       GLU  51  -8.013  14.191 -12.473
  431   2HB   GLU  51          2HB       GLU  51  -9.533  14.793 -13.113
  432   1HG   GLU  51          1HG       GLU  51  -8.486  16.954 -13.570
  433   2HG   GLU  51          2HG       GLU  51  -6.958  16.340 -12.937
  434    H1   GLY  -1           H1       GLY  -1  -3.185  -0.820  17.087
  435    H2   GLY  -1           H2       GLY  -1  -3.496   0.466  16.032
  436    H3   GLY  -1           H3       GLY  -1  -4.777  -0.326  16.803
  437   1HA   GLY  -1          1HA       GLY  -1  -4.363  -0.903  14.379
  438   2HA   GLY  -1          2HA       GLY  -1  -4.587  -2.227  15.510
  439    H    SER   0           H        SER   0  -3.355  -3.819  14.702
  440    HA   SER   0           HA       SER   0  -0.571  -3.764  14.997
  441   1HB   SER   0          1HB       SER   0  -0.612  -5.924  13.731
  442   2HB   SER   0          2HB       SER   0  -1.751  -5.867  15.074
  443    HG   SER   0           HG       SER   0  -3.239  -6.282  13.672
  444    H    MET   1           H        MET   1  -2.586  -3.446  12.087
  445    HA   MET   1           HA       MET   1  -0.494  -1.937  10.802
  446   1HB   MET   1          1HB       MET   1   0.174  -4.244  10.301
  447   2HB   MET   1          2HB       MET   1  -1.414  -4.564   9.625
  448   1HG   MET   1          1HG       MET   1   0.252  -4.193   7.891
  449   2HG   MET   1          2HG       MET   1  -1.015  -2.968   7.850
  450   1HE   MET   1          1HE       MET   1   1.496  -2.616   6.243
  451   2HE   MET   1          2HE       MET   1   0.442  -1.208   6.385
  452   3HE   MET   1          3HE       MET   1   2.176  -1.043   6.664
  453    H    GLN   2           H        GLN   2  -2.843  -0.940  11.555
  454    HA   GLN   2           HA       GLN   2  -4.996  -1.160   9.777
  455   1HB   GLN   2          1HB       GLN   2  -5.635   1.098  10.705
  456   2HB   GLN   2          2HB       GLN   2  -5.350  -0.149  11.909
  457   1HG   GLN   2          1HG       GLN   2  -3.034   0.765  12.177
  458   2HG   GLN   2          2HG       GLN   2  -3.514   2.104  11.140
  459   1HE2  GLN   2          2HE2      GLN   2  -3.183   1.133  14.259
  460   2HE2  GLN   2          1HE2      GLN   2  -4.248   2.253  15.027
  461    H    ILE   3           H        ILE   3  -4.864  -0.832   7.676
  462    HA   ILE   3           HA       ILE   3  -2.953   0.903   6.455
  463    HB   ILE   3           HB       ILE   3  -4.181   0.296   4.340
  464   1HG1  ILE   3          1HG1      ILE   3  -5.714  -1.529   6.192
  465   2HG1  ILE   3          2HG1      ILE   3  -6.380  -0.114   5.388
  466   1HG2  ILE   3          1HG2      ILE   3  -2.206  -0.916   5.189
  467   2HG2  ILE   3          2HG2      ILE   3  -3.288  -2.027   6.031
  468   3HG2  ILE   3          3HG2      ILE   3  -3.305  -1.944   4.269
  469   1HD1  ILE   3          1HD1      ILE   3  -5.208  -1.705   3.388
  470   2HD1  ILE   3          2HD1      ILE   3  -6.142  -2.782   4.427
  471   3HD1  ILE   3          3HD1      ILE   3  -6.920  -1.390   3.672
  472    H    PHE   4           H        PHE   4  -3.171   2.933   5.782
  473    HA   PHE   4           HA       PHE   4  -5.683   4.319   6.280
  474   1HB   PHE   4          1HB       PHE   4  -2.972   5.366   5.423
  475   2HB   PHE   4          2HB       PHE   4  -4.371   6.371   5.771
  476    HD1  PHE   4           HD1      PHE   4  -2.604   3.549   7.479
  477    HD2  PHE   4           HD2      PHE   4  -4.250   7.464   7.765
  478    HE1  PHE   4           HE1      PHE   4  -1.949   3.648   9.849
  479    HE2  PHE   4           HE2      PHE   4  -3.597   7.569  10.135
  480    HZ   PHE   4           HZ       PHE   4  -2.445   5.660  11.179
  481    H    VAL   5           H        VAL   5  -7.047   4.993   4.687
  482    HA   VAL   5           HA       VAL   5  -6.099   4.995   1.917
  483    HB   VAL   5           HB       VAL   5  -8.524   3.432   2.813
  484   1HG1  VAL   5          1HG1      VAL   5  -5.738   2.671   2.265
  485   2HG1  VAL   5          2HG1      VAL   5  -6.957   1.887   3.270
  486   3HG1  VAL   5          3HG1      VAL   5  -6.970   1.650   1.522
  487   1HG2  VAL   5          1HG2      VAL   5  -7.925   4.634   0.322
  488   2HG2  VAL   5          2HG2      VAL   5  -7.762   2.888   0.130
  489   3HG2  VAL   5          3HG2      VAL   5  -9.273   3.571   0.733
  490    H    LYS   6           H        LYS   6  -6.912   6.631   0.767
  491    HA   LYS   6           HA       LYS   6  -8.961   8.305   1.996
  492   1HB   LYS   6          1HB       LYS   6  -7.241   8.760  -0.451
  493   2HB   LYS   6          2HB       LYS   6  -8.368   9.927   0.221
  494   1HG   LYS   6          1HG       LYS   6  -7.065   9.995   2.289
  495   2HG   LYS   6          2HG       LYS   6  -5.931   8.829   1.607
  496   1HD   LYS   6          1HD       LYS   6  -5.375  10.407  -0.175
  497   2HD   LYS   6          2HD       LYS   6  -6.519  11.570   0.493
  498   1HE   LYS   6          1HE       LYS   6  -5.218  11.665   2.560
  499   2HE   LYS   6          2HE       LYS   6  -4.076  10.495   1.898
  500   1HZ   LYS   6          1HZ       LYS   6  -3.688  12.141   0.067
  501   2HZ   LYS   6          2HZ       LYS   6  -4.567  13.267   0.972
  502   3HZ   LYS   6          3HZ       LYS   6  -3.134  12.619   1.592
  503    H    THR   7           H        THR   7 -11.032   8.192   1.403
  504    HA   THR   7           HA       THR   7 -11.881   6.417  -0.653
  505    HB   THR   7           HB       THR   7 -14.162   7.252  -0.162
  506    HG1  THR   7           HG1      THR   7 -14.454   9.031   0.980
  507   1HG2  THR   7          1HG2      THR   7 -13.136   5.461   1.200
  508   2HG2  THR   7          2HG2      THR   7 -12.552   6.684   2.329
  509   3HG2  THR   7          3HG2      THR   7 -14.285   6.435   2.119
  510    H    LEU   8           H        LEU   8 -14.093   7.923  -1.682
  511    HA   LEU   8           HA       LEU   8 -12.740   9.228  -3.866
  512   1HB   LEU   8          1HB       LEU   8 -15.670   8.766  -3.307
  513   2HB   LEU   8          2HB       LEU   8 -15.056   9.516  -4.766
  514    HG   LEU   8           HG       LEU   8 -15.605   7.194  -5.193
  515   1HD1  LEU   8          1HD1      LEU   8 -14.745   6.726  -2.624
  516   2HD1  LEU   8          2HD1      LEU   8 -15.163   5.500  -3.821
  517   3HD1  LEU   8          3HD1      LEU   8 -13.483   5.996  -3.616
  518   1HD2  LEU   8          1HD2      LEU   8 -12.965   8.300  -5.515
  519   2HD2  LEU   8          2HD2      LEU   8 -12.919   6.540  -5.423
  520   3HD2  LEU   8          3HD2      LEU   8 -13.927   7.333  -6.632
  521    H    THR   9           H        THR   9 -15.134  10.195  -1.417
  522    HA   THR   9           HA       THR   9 -15.120  12.938  -2.185
  523    HB   THR   9           HB       THR   9 -16.381  13.333  -0.107
  524    HG1  THR   9           HG1      THR   9 -15.374  10.807   0.483
  525   1HG2  THR   9          1HG2      THR   9 -17.249  10.915  -1.692
  526   2HG2  THR   9          2HG2      THR   9 -18.294  11.825  -0.601
  527   3HG2  THR   9          3HG2      THR   9 -17.631  12.602  -2.038
  528    H    GLY  10           H        GLY  10 -13.591  11.133   0.476
  529   1HA   GLY  10          1HA       GLY  10 -12.269  13.520   1.448
  530   2HA   GLY  10          2HA       GLY  10 -11.211  12.389   0.619
  531    H    LYS  11           H        LYS  11 -13.958  11.392   2.545
  532    HA   LYS  11           HA       LYS  11 -12.925  11.104   5.050
  533   1HB   LYS  11          1HB       LYS  11 -15.231  10.557   4.534
  534   2HB   LYS  11          2HB       LYS  11 -14.723   9.174   3.578
  535   1HG   LYS  11          1HG       LYS  11 -13.781   8.154   5.624
  536   2HG   LYS  11          2HG       LYS  11 -14.418   9.511   6.554
  537   1HD   LYS  11          1HD       LYS  11 -16.064   7.599   4.899
  538   2HD   LYS  11          2HD       LYS  11 -15.892   7.547   6.654
  539   1HE   LYS  11          1HE       LYS  11 -16.887   9.775   6.816
  540   2HE   LYS  11          2HE       LYS  11 -17.062   9.823   5.062
  541   1HZ   LYS  11          1HZ       LYS  11 -18.297   7.691   6.696
  542   2HZ   LYS  11          2HZ       LYS  11 -19.086   9.157   6.399
  543   3HZ   LYS  11          3HZ       LYS  11 -18.669   8.146   5.110
  544    H    THR  12           H        THR  12 -11.377   9.974   6.002
  545    HA   THR  12           HA       THR  12  -9.835   8.066   4.433
  546    HB   THR  12           HB       THR  12  -9.325   9.084   7.232
  547    HG1  THR  12           HG1      THR  12  -9.030  10.847   5.989
  548   1HG2  THR  12          1HG2      THR  12  -8.249   6.883   6.171
  549   2HG2  THR  12          2HG2      THR  12  -7.160   8.081   5.470
  550   3HG2  THR  12          3HG2      THR  12  -7.339   7.968   7.221
  551    H    ILE  13           H        ILE  13  -9.670   5.901   4.883
  552    HA   ILE  13           HA       ILE  13 -11.457   4.892   6.993
  553    HB   ILE  13           HB       ILE  13 -11.444   2.747   5.644
  554   1HG1  ILE  13          1HG1      ILE  13 -10.433   4.617   3.494
  555   2HG1  ILE  13          2HG1      ILE  13  -9.499   3.323   4.234
  556   1HG2  ILE  13          1HG2      ILE  13 -12.828   5.271   5.026
  557   2HG2  ILE  13          2HG2      ILE  13 -12.966   3.983   3.823
  558   3HG2  ILE  13          3HG2      ILE  13 -13.473   3.693   5.488
  559   1HD1  ILE  13          1HD1      ILE  13 -11.823   2.095   3.346
  560   2HD1  ILE  13          2HD1      ILE  13 -11.377   3.221   2.062
  561   3HD1  ILE  13          3HD1      ILE  13 -10.221   2.009   2.614
  562    H    THR  14           H        THR  14 -10.618   3.783   8.588
  563    HA   THR  14           HA       THR  14  -7.810   2.960   8.437
  564    HB   THR  14           HB       THR  14  -9.469   2.742  10.931
  565    HG1  THR  14           HG1      THR  14  -9.772   4.844  10.826
  566   1HG2  THR  14          1HG2      THR  14  -6.619   2.816  10.163
  567   2HG2  THR  14          2HG2      THR  14  -7.043   3.673  11.647
  568   3HG2  THR  14          3HG2      THR  14  -7.415   1.956  11.483
  569    H    LEU  15           H        LEU  15  -7.235   0.794   8.511
  570    HA   LEU  15           HA       LEU  15  -9.217  -1.196   9.207
  571   1HB   LEU  15          1HB       LEU  15  -9.811  -0.525   6.911
  572   2HB   LEU  15          2HB       LEU  15  -8.195  -0.927   6.378
  573    HG   LEU  15           HG       LEU  15 -10.147  -2.943   7.485
  574   1HD1  LEU  15          1HD1      LEU  15  -9.507  -2.109   4.666
  575   2HD1  LEU  15          2HD1      LEU  15 -10.264  -3.651   5.066
  576   3HD1  LEU  15          3HD1      LEU  15 -11.082  -2.139   5.460
  577   1HD2  LEU  15          1HD2      LEU  15  -7.397  -3.085   6.328
  578   2HD2  LEU  15          2HD2      LEU  15  -8.063  -3.894   7.749
  579   3HD2  LEU  15          3HD2      LEU  15  -8.516  -4.438   6.133
  580    H    GLU  16           H        GLU  16  -8.082  -2.560  10.411
  581    HA   GLU  16           HA       GLU  16  -5.260  -2.880  10.223
  582   1HB   GLU  16          1HB       GLU  16  -6.422  -3.080  12.351
  583   2HB   GLU  16          2HB       GLU  16  -7.343  -4.449  11.747
  584   1HG   GLU  16          1HG       GLU  16  -5.239  -5.718  11.512
  585   2HG   GLU  16          2HG       GLU  16  -4.375  -4.356  12.227
  586    H    VAL  17           H        VAL  17  -4.053  -4.481   9.343
  587    HA   VAL  17           HA       VAL  17  -5.204  -6.927   8.341
  588    HB   VAL  17           HB       VAL  17  -4.112  -6.430   6.016
  589   1HG1  VAL  17          1HG1      VAL  17  -6.755  -6.183   7.056
  590   2HG1  VAL  17          2HG1      VAL  17  -6.514  -4.987   5.784
  591   3HG1  VAL  17          3HG1      VAL  17  -6.235  -6.695   5.451
  592   1HG2  VAL  17          1HG2      VAL  17  -3.818  -3.941   7.272
  593   2HG2  VAL  17          2HG2      VAL  17  -3.496  -4.345   5.584
  594   3HG2  VAL  17          3HG2      VAL  17  -5.082  -3.738   6.059
  595    H    GLU  18           H        GLU  18  -3.729  -8.517   8.305
  596    HA   GLU  18           HA       GLU  18  -1.150  -8.068   9.374
  597   1HB   GLU  18          1HB       GLU  18  -2.197 -10.517   7.945
  598   2HB   GLU  18          2HB       GLU  18  -0.788 -10.452   8.995
  599   1HG   GLU  18          1HG       GLU  18  -3.618  -9.897   9.854
  600   2HG   GLU  18          2HG       GLU  18  -2.760 -11.419  10.094
  601    HA   PRO  19           HA       PRO  19   1.235  -6.842   5.853
  602   1HB   PRO  19          1HB       PRO  19   3.541  -8.261   6.566
  603   2HB   PRO  19          2HB       PRO  19   3.155  -6.609   7.034
  604   1HG   PRO  19          1HG       PRO  19   2.824  -9.137   8.563
  605   2HG   PRO  19          2HG       PRO  19   3.249  -7.519   9.146
  606   1HD   PRO  19          1HD       PRO  19   0.796  -8.532   9.506
  607   2HD   PRO  19          2HD       PRO  19   1.037  -6.806   9.161
  608    H    SER  20           H        SER  20   1.306 -10.204   6.911
  609    HA   SER  20           HA       SER  20   2.309 -11.318   4.535
  610   1HB   SER  20          1HB       SER  20   2.319 -12.513   6.665
  611   2HB   SER  20          2HB       SER  20   0.558 -12.561   6.663
  612    HG   SER  20           HG       SER  20   1.529 -14.509   5.883
  613    H    ASP  21           H        ASP  21  -0.921 -10.385   5.509
  614    HA   ASP  21           HA       ASP  21  -2.446 -11.841   3.696
  615   1HB   ASP  21          1HB       ASP  21  -2.910  -9.028   4.709
  616   2HB   ASP  21          2HB       ASP  21  -4.117 -10.015   3.897
  617    H    THR  22           H        THR  22  -2.866 -11.706   1.571
  618    HA   THR  22           HA       THR  22  -1.118 -10.358  -0.152
  619    HB   THR  22           HB       THR  22  -2.631 -11.017  -1.972
  620    HG1  THR  22           HG1      THR  22  -4.616 -11.904  -1.530
  621   1HG2  THR  22          1HG2      THR  22  -1.070 -12.667  -1.075
  622   2HG2  THR  22          2HG2      THR  22  -2.272 -13.166   0.116
  623   3HG2  THR  22          3HG2      THR  22  -2.568 -13.435  -1.602
  624    H    ILE  23           H        ILE  23  -1.358  -8.588  -1.488
  625    HA   ILE  23           HA       ILE  23  -2.667  -6.340  -0.463
  626    HB   ILE  23           HB       ILE  23  -1.778  -6.799  -3.317
  627   1HG1  ILE  23          1HG1      ILE  23  -0.295  -5.570  -0.980
  628   2HG1  ILE  23          2HG1      ILE  23   0.028  -7.156  -1.670
  629   1HG2  ILE  23          1HG2      ILE  23  -3.364  -4.852  -2.745
  630   2HG2  ILE  23          2HG2      ILE  23  -1.963  -4.146  -1.938
  631   3HG2  ILE  23          3HG2      ILE  23  -1.901  -4.500  -3.665
  632   1HD1  ILE  23          1HD1      ILE  23   0.209  -5.511  -3.851
  633   2HD1  ILE  23          2HD1      ILE  23   0.882  -4.524  -2.554
  634   3HD1  ILE  23          3HD1      ILE  23   1.563  -6.116  -2.894
  635    H    GLU  24           H        GLU  24  -3.694  -8.814  -2.677
  636    HA   GLU  24           HA       GLU  24  -5.943  -7.510  -3.769
  637   1HB   GLU  24          1HB       GLU  24  -5.109  -9.405  -4.916
  638   2HB   GLU  24          2HB       GLU  24  -5.148 -10.399  -3.466
  639   1HG   GLU  24          1HG       GLU  24  -7.554 -10.408  -3.496
  640   2HG   GLU  24          2HG       GLU  24  -7.566  -9.338  -4.895
  641    H    ASN  25           H        ASN  25  -5.451  -9.437  -0.859
  642    HA   ASN  25           HA       ASN  25  -8.218  -9.655  -0.207
  643   1HB   ASN  25          1HB       ASN  25  -5.736 -10.018   1.476
  644   2HB   ASN  25          2HB       ASN  25  -7.365 -10.357   2.043
  645   1HD2  ASN  25          2HD2      ASN  25  -7.391 -11.077  -1.148
  646   2HD2  ASN  25          1HD2      ASN  25  -7.010 -12.758  -1.071
  647    H    VAL  26           H        VAL  26  -5.590  -7.549   0.951
  648    HA   VAL  26           HA       VAL  26  -7.064  -6.152   2.859
  649    HB   VAL  26           HB       VAL  26  -5.398  -4.383   2.690
  650   1HG1  VAL  26          1HG1      VAL  26  -4.417  -7.215   2.612
  651   2HG1  VAL  26          2HG1      VAL  26  -3.333  -5.861   2.932
  652   3HG1  VAL  26          3HG1      VAL  26  -4.689  -6.177   4.013
  653   1HG2  VAL  26          1HG2      VAL  26  -5.268  -5.011   0.025
  654   2HG2  VAL  26          2HG2      VAL  26  -4.163  -3.941   0.887
  655   3HG2  VAL  26          3HG2      VAL  26  -3.744  -5.637   0.653
  656    H    LYS  27           H        LYS  27  -6.678  -5.559  -0.611
  657    HA   LYS  27           HA       LYS  27  -8.106  -3.112  -0.665
  658   1HB   LYS  27          1HB       LYS  27  -7.552  -5.152  -2.821
  659   2HB   LYS  27          2HB       LYS  27  -8.354  -3.619  -3.123
  660   1HG   LYS  27          1HG       LYS  27  -6.358  -2.436  -2.313
  661   2HG   LYS  27          2HG       LYS  27  -5.555  -3.989  -2.081
  662   1HD   LYS  27          1HD       LYS  27  -5.715  -4.468  -4.446
  663   2HD   LYS  27          2HD       LYS  27  -6.638  -2.988  -4.713
  664   1HE   LYS  27          1HE       LYS  27  -3.787  -3.147  -3.743
  665   2HE   LYS  27          2HE       LYS  27  -4.303  -2.711  -5.370
  666   1HZ   LYS  27          1HZ       LYS  27  -5.595  -1.109  -3.406
  667   2HZ   LYS  27          2HZ       LYS  27  -3.913  -0.998  -3.269
  668   3HZ   LYS  27          3HZ       LYS  27  -4.667  -0.634  -4.737
  669    H    ALA  28           H        ALA  28  -9.049  -6.484  -1.069
  670    HA   ALA  28           HA       ALA  28 -11.643  -6.190  -1.971
  671   1HB   ALA  28          1HB       ALA  28 -12.054  -8.369  -0.693
  672   2HB   ALA  28          2HB       ALA  28 -10.794  -8.367  -1.926
  673   3HB   ALA  28          3HB       ALA  28 -10.359  -8.260  -0.220
  674    H    LYS  29           H        LYS  29 -10.427  -6.070   1.352
  675    HA   LYS  29           HA       LYS  29 -12.935  -5.870   2.634
  676   1HB   LYS  29          1HB       LYS  29 -10.388  -4.614   3.649
  677   2HB   LYS  29          2HB       LYS  29 -11.719  -5.278   4.584
  678   1HG   LYS  29          1HG       LYS  29 -11.128  -7.526   3.832
  679   2HG   LYS  29          2HG       LYS  29  -9.792  -6.850   2.894
  680   1HD   LYS  29          1HD       LYS  29  -8.773  -6.007   4.949
  681   2HD   LYS  29          2HD       LYS  29 -10.112  -6.664   5.890
  682   1HE   LYS  29          1HE       LYS  29  -8.172  -8.257   4.220
  683   2HE   LYS  29          2HE       LYS  29  -8.157  -8.129   5.977
  684   1HZ   LYS  29          1HZ       LYS  29 -10.711  -8.939   5.045
  685   2HZ   LYS  29          2HZ       LYS  29  -9.515  -9.984   4.464
  686   3HZ   LYS  29          3HZ       LYS  29  -9.673  -9.719   6.127
  687    H    ILE  30           H        ILE  30 -10.652  -3.463   1.423
  688    HA   ILE  30           HA       ILE  30 -11.894  -1.155   2.342
  689    HB   ILE  30           HB       ILE  30 -10.437  -1.539  -0.277
  690   1HG1  ILE  30          1HG1      ILE  30  -9.422  -0.637   2.428
  691   2HG1  ILE  30          2HG1      ILE  30  -9.113  -2.206   1.694
  692   1HG2  ILE  30          1HG2      ILE  30 -11.384   0.884   1.206
  693   2HG2  ILE  30          2HG2      ILE  30  -9.931   0.971   0.208
  694   3HG2  ILE  30          3HG2      ILE  30 -11.473   0.518  -0.518
  695   1HD1  ILE  30          1HD1      ILE  30  -8.293   0.362   0.385
  696   2HD1  ILE  30          2HD1      ILE  30  -7.269  -0.490   1.541
  697   3HD1  ILE  30          3HD1      ILE  30  -7.740  -1.276   0.035
  698    H    GLN  31           H        GLN  31 -12.605  -3.208  -0.418
  699    HA   GLN  31           HA       GLN  31 -14.472  -1.536  -1.710
  700   1HB   GLN  31          1HB       GLN  31 -14.414  -4.558  -1.604
  701   2HB   GLN  31          2HB       GLN  31 -15.283  -3.589  -2.781
  702   1HG   GLN  31          1HG       GLN  31 -13.160  -2.725  -3.626
  703   2HG   GLN  31          2HG       GLN  31 -12.296  -3.710  -2.451
  704   1HE2  GLN  31          2HE2      GLN  31 -11.461  -5.464  -3.300
  705   2HE2  GLN  31          1HE2      GLN  31 -12.136  -6.403  -4.583
  706    H    ASP  32           H        ASP  32 -14.717  -3.966   0.823
  707    HA   ASP  32           HA       ASP  32 -17.511  -3.924   1.116
  708   1HB   ASP  32          1HB       ASP  32 -16.066  -5.696   2.064
  709   2HB   ASP  32          2HB       ASP  32 -15.407  -4.528   3.205
  710    H    LYS  33           H        LYS  33 -14.915  -1.977   2.391
  711    HA   LYS  33           HA       LYS  33 -16.289  -0.578   4.382
  712   1HB   LYS  33          1HB       LYS  33 -13.804  -0.174   2.829
  713   2HB   LYS  33          2HB       LYS  33 -14.490   1.258   3.582
  714   1HG   LYS  33          1HG       LYS  33 -13.733  -1.289   4.995
  715   2HG   LYS  33          2HG       LYS  33 -12.819   0.222   5.009
  716   1HD   LYS  33          1HD       LYS  33 -14.836   1.328   6.004
  717   2HD   LYS  33          2HD       LYS  33 -15.563  -0.272   6.154
  718   1HE   LYS  33          1HE       LYS  33 -14.536   0.421   8.250
  719   2HE   LYS  33          2HE       LYS  33 -13.719  -0.987   7.577
  720   1HZ   LYS  33          1HZ       LYS  33 -12.481   1.347   6.616
  721   2HZ   LYS  33          2HZ       LYS  33 -12.595   1.450   8.301
  722   3HZ   LYS  33          3HZ       LYS  33 -11.823   0.126   7.583
  723    H    GLU  34           H        GLU  34 -16.030   0.002   0.912
  724    HA   GLU  34           HA       GLU  34 -18.243   1.905   1.145
  725   1HB   GLU  34          1HB       GLU  34 -15.700   2.463  -0.390
  726   2HB   GLU  34          2HB       GLU  34 -17.133   3.477  -0.393
  727   1HG   GLU  34          1HG       GLU  34 -15.459   2.857   2.030
  728   2HG   GLU  34          2HG       GLU  34 -15.348   4.329   1.066
  729    H    GLY  35           H        GLY  35 -16.053   0.539  -1.331
  730   1HA   GLY  35          1HA       GLY  35 -18.427   0.029  -3.002
  731   2HA   GLY  35          2HA       GLY  35 -17.277  -1.262  -2.691
  732    H    ILE  36           H        ILE  36 -14.884   0.086  -2.891
  733    HA   ILE  36           HA       ILE  36 -14.910   1.129  -5.643
  734    HB   ILE  36           HB       ILE  36 -12.390   1.586  -4.397
  735   1HG1  ILE  36          1HG1      ILE  36 -13.240   3.244  -2.652
  736   2HG1  ILE  36          2HG1      ILE  36 -14.786   2.408  -2.756
  737   1HG2  ILE  36          1HG2      ILE  36 -14.520   3.084  -5.741
  738   2HG2  ILE  36          2HG2      ILE  36 -13.502   4.032  -4.654
  739   3HG2  ILE  36          3HG2      ILE  36 -12.770   3.117  -5.976
  740   1HD1  ILE  36          1HD1      ILE  36 -13.188   0.310  -2.329
  741   2HD1  ILE  36          2HD1      ILE  36 -12.252   1.567  -1.519
  742   3HD1  ILE  36          3HD1      ILE  36 -13.917   1.255  -1.029
  743    HA   PRO  37           HA       PRO  37 -12.915  -2.608  -7.008
  744   1HB   PRO  37          1HB       PRO  37 -11.661  -0.713  -8.941
  745   2HB   PRO  37          2HB       PRO  37 -12.490  -2.243  -9.244
  746   1HG   PRO  37          1HG       PRO  37 -13.697   0.070  -9.756
  747   2HG   PRO  37          2HG       PRO  37 -14.599  -1.285  -9.054
  748   1HD   PRO  37          1HD       PRO  37 -13.584   1.199  -7.745
  749   2HD   PRO  37          2HD       PRO  37 -15.079   0.292  -7.442
  750    HA   PRO  38           HA       PRO  38  -9.034  -2.383  -4.850
  751   1HB   PRO  38          1HB       PRO  38  -7.830  -4.532  -6.125
  752   2HB   PRO  38          2HB       PRO  38  -8.896  -4.650  -4.725
  753   1HG   PRO  38          1HG       PRO  38  -9.515  -5.046  -7.619
  754   2HG   PRO  38          2HG       PRO  38 -10.103  -5.949  -6.213
  755   1HD   PRO  38          1HD       PRO  38 -11.639  -4.131  -7.442
  756   2HD   PRO  38          2HD       PRO  38 -11.679  -4.331  -5.678
  757    H    ASP  39           H        ASP  39  -9.167  -2.641  -8.356
  758    HA   ASP  39           HA       ASP  39  -6.482  -1.996  -8.892
  759   1HB   ASP  39          1HB       ASP  39  -7.937  -3.013 -10.570
  760   2HB   ASP  39          2HB       ASP  39  -8.943  -1.571 -10.596
  761    H    GLN  40           H        GLN  40  -9.340   0.007  -8.361
  762    HA   GLN  40           HA       GLN  40  -8.236   2.419  -9.269
  763   1HB   GLN  40          1HB       GLN  40 -10.408   1.925  -7.234
  764   2HB   GLN  40          2HB       GLN  40 -10.032   3.497  -7.930
  765   1HG   GLN  40          1HG       GLN  40 -10.532   2.587 -10.169
  766   2HG   GLN  40          2HG       GLN  40 -10.992   1.063  -9.418
  767   1HE2  GLN  40          2HE2      GLN  40 -11.884   3.381  -7.297
  768   2HE2  GLN  40          1HE2      GLN  40 -13.515   3.628  -7.802
  769    H    GLN  41           H        GLN  41  -8.248   0.931  -6.047
  770    HA   GLN  41           HA       GLN  41  -7.120   3.083  -4.649
  771   1HB   GLN  41          1HB       GLN  41  -7.011   0.109  -4.170
  772   2HB   GLN  41          2HB       GLN  41  -6.278   1.265  -3.069
  773   1HG   GLN  41          1HG       GLN  41  -8.430   0.618  -2.240
  774   2HG   GLN  41          2HG       GLN  41  -8.476   2.308  -2.732
  775   1HE2  GLN  41          2HE2      GLN  41 -10.015  -0.625  -2.911
  776   2HE2  GLN  41          1HE2      GLN  41 -11.075  -0.297  -4.233
  777    H    ARG  42           H        ARG  42  -5.164   3.976  -4.725
  778    HA   ARG  42           HA       ARG  42  -3.089   2.661  -6.250
  779   1HB   ARG  42          1HB       ARG  42  -3.266   5.455  -5.139
  780   2HB   ARG  42          2HB       ARG  42  -1.898   4.843  -6.057
  781   1HG   ARG  42          1HG       ARG  42  -3.370   4.451  -7.976
  782   2HG   ARG  42          2HG       ARG  42  -4.728   5.096  -7.055
  783   1HD   ARG  42          1HD       ARG  42  -3.581   7.246  -6.869
  784   2HD   ARG  42          2HD       ARG  42  -2.220   6.602  -7.784
  785    HE   ARG  42           HE       ARG  42  -4.580   7.677  -8.861
  786   1HH1  ARG  42          1HH1      ARG  42  -2.394   4.998  -9.316
  787   2HH1  ARG  42          2HH1      ARG  42  -2.743   4.835 -11.005
  788   1HH2  ARG  42          1HH2      ARG  42  -5.043   7.467 -11.082
  789   2HH2  ARG  42          2HH2      ARG  42  -4.248   6.238 -12.008
  790    H    LEU  43           H        LEU  43  -1.407   1.659  -5.382
  791    HA   LEU  43           HA       LEU  43  -1.171   1.520  -2.518
  792   1HB   LEU  43          1HB       LEU  43  -0.798  -0.312  -4.373
  793   2HB   LEU  43          2HB       LEU  43   0.834   0.327  -4.380
  794    HG   LEU  43           HG       LEU  43   1.115  -0.235  -2.044
  795   1HD1  LEU  43          1HD1      LEU  43  -1.527   0.095  -1.766
  796   2HD1  LEU  43          2HD1      LEU  43  -1.463  -1.665  -1.864
  797   3HD1  LEU  43          3HD1      LEU  43  -0.544  -0.818  -0.619
  798   1HD2  LEU  43          1HD2      LEU  43   0.641  -2.121  -4.121
  799   2HD2  LEU  43          2HD2      LEU  43   1.740  -2.242  -2.748
  800   3HD2  LEU  43          3HD2      LEU  43   0.075  -2.805  -2.597
  801    H    ILE  44           H        ILE  44   0.204   2.602  -1.246
  802    HA   ILE  44           HA       ILE  44   2.575   3.865  -2.403
  803    HB   ILE  44           HB       ILE  44   0.506   5.385  -0.816
  804   1HG1  ILE  44          1HG1      ILE  44   1.499   5.726  -3.654
  805   2HG1  ILE  44          2HG1      ILE  44  -0.066   5.070  -3.190
  806   1HG2  ILE  44          1HG2      ILE  44   3.233   5.751  -0.753
  807   2HG2  ILE  44          2HG2      ILE  44   2.700   6.907  -1.973
  808   3HG2  ILE  44          3HG2      ILE  44   2.016   6.961  -0.348
  809   1HD1  ILE  44          1HD1      ILE  44   0.372   7.654  -2.002
  810   2HD1  ILE  44          2HD1      ILE  44   0.539   7.708  -3.756
  811   3HD1  ILE  44          3HD1      ILE  44  -0.945   7.091  -3.030
  812    H    PHE  45           H        PHE  45   4.298   3.919  -1.056
  813    HA   PHE  45           HA       PHE  45   3.869   3.101   1.746
  814   1HB   PHE  45          1HB       PHE  45   6.228   2.403  -0.019
  815   2HB   PHE  45          2HB       PHE  45   6.028   1.935   1.663
  816    HD1  PHE  45           HD1      PHE  45   3.932   1.739  -1.432
  817    HD2  PHE  45           HD2      PHE  45   5.557  -0.270   1.948
  818    HE1  PHE  45           HE1      PHE  45   2.828  -0.340  -2.143
  819    HE2  PHE  45           HE2      PHE  45   4.453  -2.353   1.244
  820    HZ   PHE  45           HZ       PHE  45   3.088  -2.390  -0.804
  821    H    ALA  46           H        ALA  46   5.173   4.085   3.330
  822    HA   ALA  46           HA       ALA  46   7.166   6.034   2.527
  823   1HB   ALA  46          1HB       ALA  46   5.510   7.600   2.331
  824   2HB   ALA  46          2HB       ALA  46   4.480   6.826   3.535
  825   3HB   ALA  46          3HB       ALA  46   5.885   7.761   4.047
  826    H    GLY  47           H        GLY  47   8.787   5.924   3.922
  827   1HA   GLY  47          1HA       GLY  47   9.994   5.297   5.779
  828   2HA   GLY  47          2HA       GLY  47   8.579   4.424   6.341
  829    H    LYS  48           H        LYS  48  10.601   6.354   7.580
  830    HA   LYS  48           HA       LYS  48   8.842   7.534   9.449
  831   1HB   LYS  48          1HB       LYS  48  11.753   8.120   8.912
  832   2HB   LYS  48          2HB       LYS  48  10.855   8.654  10.327
  833   1HG   LYS  48          1HG       LYS  48  10.469   6.294  10.932
  834   2HG   LYS  48          2HG       LYS  48  11.467   5.809   9.557
  835   1HD   LYS  48          1HD       LYS  48  13.362   7.036  10.506
  836   2HD   LYS  48          2HD       LYS  48  12.362   7.506  11.883
  837   1HE   LYS  48          1HE       LYS  48  12.088   5.154  12.488
  838   2HE   LYS  48          2HE       LYS  48  13.078   4.680  11.109
  839   1HZ   LYS  48          1HZ       LYS  48  14.145   6.529  13.140
  840   2HZ   LYS  48          2HZ       LYS  48  14.162   4.860  13.416
  841   3HZ   LYS  48          3HZ       LYS  48  14.983   5.506  12.086
  842    H    GLN  49           H        GLN  49   7.716   9.307   9.365
  843    HA   GLN  49           HA       GLN  49   7.950  11.117   7.155
  844   1HB   GLN  49          1HB       GLN  49   6.316  11.349   9.694
  845   2HB   GLN  49          2HB       GLN  49   6.133  12.354   8.265
  846   1HG   GLN  49          1HG       GLN  49   5.477  10.393   6.966
  847   2HG   GLN  49          2HG       GLN  49   5.659   9.385   8.402
  848   1HE2  GLN  49          2HE2      GLN  49   3.822   8.918   9.350
  849   2HE2  GLN  49          1HE2      GLN  49   2.415   9.915   9.406
  850    H    LEU  50           H        LEU  50   9.725  12.341   7.107
  851    HA   LEU  50           HA       LEU  50  11.309  13.137   9.218
  852   1HB   LEU  50          1HB       LEU  50  10.857  14.434   6.539
  853   2HB   LEU  50          2HB       LEU  50  12.057  15.012   7.673
  854    HG   LEU  50           HG       LEU  50  13.100  13.618   5.985
  855   1HD1  LEU  50          1HD1      LEU  50  10.916  11.738   6.708
  856   2HD1  LEU  50          2HD1      LEU  50  11.604  12.130   5.128
  857   3HD1  LEU  50          3HD1      LEU  50  12.482  11.066   6.235
  858   1HD2  LEU  50          1HD2      LEU  50  13.370  13.300   8.734
  859   2HD2  LEU  50          2HD2      LEU  50  13.351  11.659   8.087
  860   3HD2  LEU  50          3HD2      LEU  50  14.527  12.830   7.489
  861    H    GLU  51           H        GLU  51   9.792  13.715  10.871
  862    HA   GLU  51           HA       GLU  51   8.050  15.917  10.716
  863   1HB   GLU  51          1HB       GLU  51   7.876  14.237  12.478
  864   2HB   GLU  51          2HB       GLU  51   9.437  14.720  13.122
  865   1HG   GLU  51          1HG       GLU  51   8.540  16.918  13.676
  866   2HG   GLU  51          2HG       GLU  51   6.975  16.447  13.015

  No H/Q in entry =         866
  Start of MODEL   10
    1    H1   GLY  -1           H1       GLY  -1   5.000  -6.460 -15.231
    2    H2   GLY  -1           H2       GLY  -1   4.869  -6.346 -16.914
    3    H3   GLY  -1           H3       GLY  -1   6.189  -5.650 -16.119
    4   1HA   GLY  -1          1HA       GLY  -1   4.208  -4.174 -16.890
    5   2HA   GLY  -1          2HA       GLY  -1   5.016  -3.867 -15.360
    6    H    SER   0           H        SER   0   3.999  -5.853 -13.760
    7    HA   SER   0           HA       SER   0   1.222  -6.223 -13.906
    8   1HB   SER   0          1HB       SER   0   2.650  -7.598 -12.469
    9   2HB   SER   0          2HB       SER   0   3.012  -6.195 -11.464
   10    HG   SER   0           HG       SER   0   0.681  -6.092 -11.094
   11    H    MET   1           H        MET   1   3.051  -3.979 -11.818
   12    HA   MET   1           HA       MET   1   1.453  -1.747 -12.276
   13   1HB   MET   1          1HB       MET   1   0.193  -1.675 -10.099
   14   2HB   MET   1          2HB       MET   1  -0.392  -2.862 -11.257
   15   1HG   MET   1          1HG       MET   1   0.771  -4.628 -10.050
   16   2HG   MET   1          2HG       MET   1   1.390  -3.446  -8.902
   17   1HE   MET   1          1HE       MET   1  -0.070  -1.753  -7.939
   18   2HE   MET   1          2HE       MET   1  -1.834  -1.768  -7.982
   19   3HE   MET   1          3HE       MET   1  -0.979  -2.497  -6.622
   20    H    GLN   2           H        GLN   2   3.110  -0.381 -12.025
   21    HA   GLN   2           HA       GLN   2   5.147  -0.680 -10.072
   22   1HB   GLN   2          1HB       GLN   2   5.895   1.540 -10.824
   23   2HB   GLN   2          2HB       GLN   2   5.563   0.476 -12.181
   24   1HG   GLN   2          1HG       GLN   2   3.370   1.564 -12.458
   25   2HG   GLN   2          2HG       GLN   2   3.781   2.669 -11.151
   26   1HE2  GLN   2          2HE2      GLN   2   6.586   2.024 -12.735
   27   2HE2  GLN   2          1HE2      GLN   2   6.605   3.352 -13.838
   28    H    ILE   3           H        ILE   3   5.138  -0.112  -7.999
   29    HA   ILE   3           HA       ILE   3   2.887   1.412  -6.954
   30    HB   ILE   3           HB       ILE   3   3.740   0.763  -4.732
   31   1HG1  ILE   3          1HG1      ILE   3   5.830  -0.758  -6.299
   32   2HG1  ILE   3          2HG1      ILE   3   6.130   0.657  -5.294
   33   1HG2  ILE   3          1HG2      ILE   3   2.128  -0.651  -5.892
   34   2HG2  ILE   3          2HG2      ILE   3   3.448  -1.545  -6.644
   35   3HG2  ILE   3          3HG2      ILE   3   3.223  -1.610  -4.896
   36   1HD1  ILE   3          1HD1      ILE   3   4.790  -1.620  -3.987
   37   2HD1  ILE   3          2HD1      ILE   3   6.480  -1.842  -4.442
   38   3HD1  ILE   3          3HD1      ILE   3   6.022  -0.515  -3.374
   39    H    PHE   4           H        PHE   4   3.029   3.374  -5.965
   40    HA   PHE   4           HA       PHE   4   5.495   4.865  -6.381
   41   1HB   PHE   4          1HB       PHE   4   2.744   5.729  -5.459
   42   2HB   PHE   4          2HB       PHE   4   4.111   6.824  -5.625
   43    HD1  PHE   4           HD1      PHE   4   3.864   8.190  -7.437
   44    HD2  PHE   4           HD2      PHE   4   2.684   4.115  -7.775
   45    HE1  PHE   4           HE1      PHE   4   3.293   8.555  -9.802
   46    HE2  PHE   4           HE2      PHE   4   2.113   4.473 -10.141
   47    HZ   PHE   4           HZ       PHE   4   2.417   6.695 -11.158
   48    H    VAL   5           H        VAL   5   6.901   5.362  -4.783
   49    HA   VAL   5           HA       VAL   5   6.028   5.167  -1.992
   50    HB   VAL   5           HB       VAL   5   8.453   3.701  -3.034
   51   1HG1  VAL   5          1HG1      VAL   5   6.356   2.635  -3.742
   52   2HG1  VAL   5          2HG1      VAL   5   7.267   1.647  -2.601
   53   3HG1  VAL   5          3HG1      VAL   5   5.853   2.545  -2.054
   54   1HG2  VAL   5          1HG2      VAL   5   7.775   4.605  -0.444
   55   2HG2  VAL   5          2HG2      VAL   5   7.610   2.849  -0.456
   56   3HG2  VAL   5          3HG2      VAL   5   9.135   3.594  -0.931
   57    H    LYS   6           H        LYS   6   6.960   6.653  -0.698
   58    HA   LYS   6           HA       LYS   6   8.999   8.389  -1.875
   59   1HB   LYS   6          1HB       LYS   6   7.038   9.469  -0.866
   60   2HB   LYS   6          2HB       LYS   6   7.388   8.690   0.671
   61   1HG   LYS   6          1HG       LYS   6   9.491   9.922   0.821
   62   2HG   LYS   6          2HG       LYS   6   9.150  10.696  -0.725
   63   1HD   LYS   6          1HD       LYS   6   7.443  10.929   1.753
   64   2HD   LYS   6          2HD       LYS   6   8.600  12.140   1.195
   65   1HE   LYS   6          1HE       LYS   6   6.167  11.188  -0.312
   66   2HE   LYS   6          2HE       LYS   6   6.319  12.722   0.542
   67   1HZ   LYS   6          1HZ       LYS   6   8.442  12.821  -1.069
   68   2HZ   LYS   6          2HZ       LYS   6   7.376  11.931  -2.036
   69   3HZ   LYS   6          3HZ       LYS   6   6.927  13.461  -1.471
   70    H    THR   7           H        THR   7  11.081   8.067  -1.420
   71    HA   THR   7           HA       THR   7  11.894   6.134   0.511
   72    HB   THR   7           HB       THR   7  14.200   6.774  -0.099
   73    HG1  THR   7           HG1      THR   7  12.848   8.953  -1.191
   74   1HG2  THR   7          1HG2      THR   7  12.658   5.278  -1.534
   75   2HG2  THR   7          2HG2      THR   7  12.618   6.647  -2.645
   76   3HG2  THR   7          3HG2      THR   7  14.154   5.876  -2.253
   77    H    LEU   8           H        LEU   8  14.287   7.416   1.460
   78    HA   LEU   8           HA       LEU   8  13.167   8.726   3.768
   79   1HB   LEU   8          1HB       LEU   8  16.070   8.280   3.081
   80   2HB   LEU   8          2HB       LEU   8  15.423   8.703   4.652
   81    HG   LEU   8           HG       LEU   8  15.126   6.080   3.194
   82   1HD1  LEU   8          1HD1      LEU   8  17.234   6.455   4.393
   83   2HD1  LEU   8          2HD1      LEU   8  16.324   6.779   5.867
   84   3HD1  LEU   8          3HD1      LEU   8  16.267   5.177   5.130
   85   1HD2  LEU   8          1HD2      LEU   8  13.007   6.767   4.306
   86   2HD2  LEU   8          2HD2      LEU   8  13.730   5.298   4.957
   87   3HD2  LEU   8          3HD2      LEU   8  13.888   6.821   5.832
   88    H    THR   9           H        THR   9  15.517   9.626   1.248
   89    HA   THR   9           HA       THR   9  15.766  12.313   2.114
   90    HB   THR   9           HB       THR   9  17.535  11.332   0.802
   91    HG1  THR   9           HG1      THR   9  17.298  12.980  -1.099
   92   1HG2  THR   9          1HG2      THR   9  16.108   9.811  -0.545
   93   2HG2  THR   9          2HG2      THR   9  15.585  11.198  -1.500
   94   3HG2  THR   9          3HG2      THR   9  17.277  10.703  -1.517
   95    H    GLY  10           H        GLY  10  13.863  10.793  -0.484
   96   1HA   GLY  10          1HA       GLY  10  12.660  13.352  -1.162
   97   2HA   GLY  10          2HA       GLY  10  11.593  12.201  -0.379
   98    H    LYS  11           H        LYS  11  14.156  11.347  -2.624
   99    HA   LYS  11           HA       LYS  11  12.849  11.335  -5.031
  100   1HB   LYS  11          1HB       LYS  11  15.222  10.793  -4.797
  101   2HB   LYS  11          2HB       LYS  11  14.812   9.270  -4.022
  102   1HG   LYS  11          1HG       LYS  11  13.626   8.618  -6.127
  103   2HG   LYS  11          2HG       LYS  11  14.292  10.069  -6.874
  104   1HD   LYS  11          1HD       LYS  11  16.565   9.260  -6.341
  105   2HD   LYS  11          2HD       LYS  11  15.855   7.778  -5.692
  106   1HE   LYS  11          1HE       LYS  11  14.891   7.275  -7.876
  107   2HE   LYS  11          2HE       LYS  11  15.577   8.760  -8.529
  108   1HZ   LYS  11          1HZ       LYS  11  17.338   6.769  -7.270
  109   2HZ   LYS  11          2HZ       LYS  11  16.812   6.533  -8.860
  110   3HZ   LYS  11          3HZ       LYS  11  17.700   7.916  -8.458
  111    H    THR  12           H        THR  12  11.261  10.233  -5.955
  112    HA   THR  12           HA       THR  12   9.798   8.266  -4.433
  113    HB   THR  12           HB       THR  12   9.332   9.159  -7.279
  114    HG1  THR  12           HG1      THR  12   7.567  10.285  -5.727
  115   1HG2  THR  12          1HG2      THR  12   8.135   7.135  -5.736
  116   2HG2  THR  12          2HG2      THR  12   6.978   8.465  -5.788
  117   3HG2  THR  12          3HG2      THR  12   7.590   7.769  -7.289
  118    H    ILE  13           H        ILE  13   9.486   6.094  -5.006
  119    HA   ILE  13           HA       ILE  13  11.326   5.068  -7.058
  120    HB   ILE  13           HB       ILE  13  11.536   3.006  -5.600
  121   1HG1  ILE  13          1HG1      ILE  13  10.543   4.939  -3.492
  122   2HG1  ILE  13          2HG1      ILE  13   9.649   3.544  -4.089
  123   1HG2  ILE  13          1HG2      ILE  13  12.784   5.647  -5.276
  124   2HG2  ILE  13          2HG2      ILE  13  13.063   4.512  -3.950
  125   3HG2  ILE  13          3HG2      ILE  13  13.514   4.071  -5.597
  126   1HD1  ILE  13          1HD1      ILE  13  11.660   2.171  -3.307
  127   2HD1  ILE  13          2HD1      ILE  13  12.107   3.611  -2.394
  128   3HD1  ILE  13          3HD1      ILE  13  10.562   2.819  -2.088
  129    H    THR  14           H        THR  14  10.489   3.784  -8.518
  130    HA   THR  14           HA       THR  14   7.737   2.818  -8.145
  131    HB   THR  14           HB       THR  14   7.890   2.532 -10.716
  132    HG1  THR  14           HG1      THR  14   9.779   4.620 -10.516
  133   1HG2  THR  14          1HG2      THR  14   7.373   4.903  -9.075
  134   2HG2  THR  14          2HG2      THR  14   7.685   5.250 -10.776
  135   3HG2  THR  14          3HG2      THR  14   6.385   4.148 -10.325
  136    H    LEU  15           H        LEU  15   7.203   0.705  -8.536
  137    HA   LEU  15           HA       LEU  15   8.993  -1.150  -9.728
  138   1HB   LEU  15          1HB       LEU  15   9.658  -2.452  -7.878
  139   2HB   LEU  15          2HB       LEU  15  10.014  -0.794  -7.447
  140    HG   LEU  15           HG       LEU  15   7.661  -0.935  -6.256
  141   1HD1  LEU  15          1HD1      LEU  15  10.204  -0.883  -5.400
  142   2HD1  LEU  15          2HD1      LEU  15   8.819  -1.020  -4.316
  143   3HD1  LEU  15          3HD1      LEU  15   9.715  -2.464  -4.788
  144   1HD2  LEU  15          1HD2      LEU  15   7.903  -3.533  -7.223
  145   2HD2  LEU  15          2HD2      LEU  15   8.286  -3.649  -5.505
  146   3HD2  LEU  15          3HD2      LEU  15   6.750  -2.949  -6.021
  147    H    GLU  16           H        GLU  16   7.746  -2.550 -10.717
  148    HA   GLU  16           HA       GLU  16   4.953  -2.737 -10.156
  149   1HB   GLU  16          1HB       GLU  16   4.941  -4.340 -12.044
  150   2HB   GLU  16          2HB       GLU  16   5.732  -2.821 -12.442
  151   1HG   GLU  16          1HG       GLU  16   7.917  -3.891 -12.054
  152   2HG   GLU  16          2HG       GLU  16   7.089  -5.416 -11.750
  153    H    VAL  17           H        VAL  17   3.793  -4.401  -9.292
  154    HA   VAL  17           HA       VAL  17   5.069  -6.893  -8.554
  155    HB   VAL  17           HB       VAL  17   4.193  -6.659  -6.157
  156   1HG1  VAL  17          1HG1      VAL  17   6.561  -5.033  -7.057
  157   2HG1  VAL  17          2HG1      VAL  17   6.256  -5.559  -5.402
  158   3HG1  VAL  17          3HG1      VAL  17   6.554  -6.752  -6.665
  159   1HG2  VAL  17          1HG2      VAL  17   3.203  -4.290  -7.044
  160   2HG2  VAL  17          2HG2      VAL  17   3.494  -4.687  -5.351
  161   3HG2  VAL  17          3HG2      VAL  17   4.698  -3.777  -6.262
  162    H    GLU  18           H        GLU  18   3.671  -8.534  -8.594
  163    HA   GLU  18           HA       GLU  18   1.085  -8.222  -9.602
  164   1HB   GLU  18          1HB       GLU  18   2.204 -10.582  -8.081
  165   2HB   GLU  18          2HB       GLU  18   0.807 -10.606  -9.148
  166   1HG   GLU  18          1HG       GLU  18   2.236 -10.039 -11.041
  167   2HG   GLU  18          2HG       GLU  18   3.638 -10.001  -9.973
  168    HA   PRO  19           HA       PRO  19  -1.392  -7.019  -6.131
  169   1HB   PRO  19          1HB       PRO  19  -3.670  -8.452  -6.839
  170   2HB   PRO  19          2HB       PRO  19  -3.269  -6.832  -7.400
  171   1HG   PRO  19          1HG       PRO  19  -2.872  -9.455  -8.756
  172   2HG   PRO  19          2HG       PRO  19  -3.355  -7.898  -9.447
  173   1HD   PRO  19          1HD       PRO  19  -0.863  -8.819  -9.734
  174   2HD   PRO  19          2HD       PRO  19  -1.174  -7.091  -9.470
  175    H    SER  20           H        SER  20  -1.416 -10.392  -7.161
  176    HA   SER  20           HA       SER  20  -2.401 -11.496  -4.771
  177   1HB   SER  20          1HB       SER  20  -2.404 -12.710  -6.893
  178   2HB   SER  20          2HB       SER  20  -0.643 -12.740  -6.895
  179    HG   SER  20           HG       SER  20  -0.642 -14.213  -5.326
  180    H    ASP  21           H        ASP  21   0.806 -10.527  -5.771
  181    HA   ASP  21           HA       ASP  21   2.376 -11.943  -3.971
  182   1HB   ASP  21          1HB       ASP  21   3.303 -10.544  -5.773
  183   2HB   ASP  21          2HB       ASP  21   2.783  -9.097  -4.917
  184    H    THR  22           H        THR  22   2.860 -11.765  -1.853
  185    HA   THR  22           HA       THR  22   1.065 -10.450  -0.126
  186    HB   THR  22           HB       THR  22   2.565 -11.145   1.693
  187    HG1  THR  22           HG1      THR  22   4.270 -12.026  -0.419
  188   1HG2  THR  22          1HG2      THR  22   1.030 -12.736   0.211
  189   2HG2  THR  22          2HG2      THR  22   2.587 -13.492  -0.127
  190   3HG2  THR  22          3HG2      THR  22   2.016 -13.355   1.536
  191    H    ILE  23           H        ILE  23   1.274  -8.662   1.168
  192    HA   ILE  23           HA       ILE  23   2.573  -6.424   0.157
  193    HB   ILE  23           HB       ILE  23   1.702  -6.889   3.013
  194   1HG1  ILE  23          1HG1      ILE  23   0.221  -5.635   0.689
  195   2HG1  ILE  23          2HG1      ILE  23  -0.103  -7.230   1.360
  196   1HG2  ILE  23          1HG2      ILE  23   3.245  -4.986   2.730
  197   2HG2  ILE  23          2HG2      ILE  23   2.143  -4.295   1.539
  198   3HG2  ILE  23          3HG2      ILE  23   1.627  -4.480   3.215
  199   1HD1  ILE  23          1HD1      ILE  23  -0.190  -4.958   3.243
  200   2HD1  ILE  23          2HD1      ILE  23  -1.480  -5.062   2.043
  201   3HD1  ILE  23          3HD1      ILE  23  -1.197  -6.404   3.152
  202    H    GLU  24           H        GLU  24   3.619  -8.713   2.637
  203    HA   GLU  24           HA       GLU  24   5.821  -7.337   3.628
  204   1HB   GLU  24          1HB       GLU  24   6.693  -9.537   4.303
  205   2HB   GLU  24          2HB       GLU  24   4.986  -9.365   4.676
  206   1HG   GLU  24          1HG       GLU  24   4.425 -10.672   2.683
  207   2HG   GLU  24          2HG       GLU  24   6.143 -10.862   2.335
  208    H    ASN  25           H        ASN  25   5.623  -9.524   0.831
  209    HA   ASN  25           HA       ASN  25   8.374  -9.421   0.184
  210   1HB   ASN  25          1HB       ASN  25   5.930 -10.082  -1.460
  211   2HB   ASN  25          2HB       ASN  25   7.565 -10.174  -2.107
  212   1HD2  ASN  25          2HD2      ASN  25   8.198 -12.193  -2.202
  213   2HD2  ASN  25          1HD2      ASN  25   7.936 -13.404  -0.998
  214    H    VAL  26           H        VAL  26   5.577  -7.590  -1.005
  215    HA   VAL  26           HA       VAL  26   6.818  -6.054  -2.948
  216    HB   VAL  26           HB       VAL  26   4.484  -5.525  -1.141
  217   1HG1  VAL  26          1HG1      VAL  26   4.900  -6.724  -3.700
  218   2HG1  VAL  26          2HG1      VAL  26   3.420  -6.620  -2.745
  219   3HG1  VAL  26          3HG1      VAL  26   3.835  -5.326  -3.871
  220   1HG2  VAL  26          1HG2      VAL  26   6.009  -3.515  -2.540
  221   2HG2  VAL  26          2HG2      VAL  26   4.347  -3.596  -3.126
  222   3HG2  VAL  26          3HG2      VAL  26   4.666  -3.335  -1.411
  223    H    LYS  27           H        LYS  27   6.456  -5.331   0.518
  224    HA   LYS  27           HA       LYS  27   7.866  -2.872   0.403
  225   1HB   LYS  27          1HB       LYS  27   7.370  -4.677   2.777
  226   2HB   LYS  27          2HB       LYS  27   7.888  -3.000   2.854
  227   1HG   LYS  27          1HG       LYS  27   5.776  -2.342   1.737
  228   2HG   LYS  27          2HG       LYS  27   5.257  -4.026   1.813
  229   1HD   LYS  27          1HD       LYS  27   5.915  -2.263   4.171
  230   2HD   LYS  27          2HD       LYS  27   4.298  -2.731   3.643
  231   1HE   LYS  27          1HE       LYS  27   4.908  -5.100   4.033
  232   2HE   LYS  27          2HE       LYS  27   6.461  -4.559   4.669
  233   1HZ   LYS  27          1HZ       LYS  27   4.216  -3.258   5.898
  234   2HZ   LYS  27          2HZ       LYS  27   4.214  -4.935   6.129
  235   3HZ   LYS  27          3HZ       LYS  27   5.550  -4.017   6.611
  236    H    ALA  28           H        ALA  28   8.824  -6.197   0.988
  237    HA   ALA  28           HA       ALA  28  11.366  -5.822   2.036
  238   1HB   ALA  28          1HB       ALA  28  10.456  -8.004   0.165
  239   2HB   ALA  28          2HB       ALA  28  11.878  -8.058   1.208
  240   3HB   ALA  28          3HB       ALA  28  10.265  -7.995   1.918
  241    H    LYS  29           H        LYS  29  10.310  -5.800  -1.341
  242    HA   LYS  29           HA       LYS  29  12.852  -5.698  -2.549
  243   1HB   LYS  29          1HB       LYS  29  10.388  -4.315  -3.611
  244   2HB   LYS  29          2HB       LYS  29  11.714  -5.013  -4.527
  245   1HG   LYS  29          1HG       LYS  29   9.838  -6.644  -2.847
  246   2HG   LYS  29          2HG       LYS  29   9.566  -6.303  -4.557
  247   1HD   LYS  29          1HD       LYS  29  11.983  -7.701  -3.419
  248   2HD   LYS  29          2HD       LYS  29  10.620  -8.490  -4.216
  249   1HE   LYS  29          1HE       LYS  29  11.106  -7.288  -6.276
  250   2HE   LYS  29          2HE       LYS  29  12.444  -6.453  -5.489
  251   1HZ   LYS  29          1HZ       LYS  29  12.320  -9.403  -5.709
  252   2HZ   LYS  29          2HZ       LYS  29  13.043  -8.433  -6.891
  253   3HZ   LYS  29          3HZ       LYS  29  13.656  -8.442  -5.314
  254    H    ILE  30           H        ILE  30  10.623  -3.220  -1.437
  255    HA   ILE  30           HA       ILE  30  11.987  -0.959  -2.299
  256    HB   ILE  30           HB       ILE  30  10.278  -1.298   0.165
  257   1HG1  ILE  30          1HG1      ILE  30   9.600  -0.396  -2.644
  258   2HG1  ILE  30          2HG1      ILE  30   9.139  -1.928  -1.914
  259   1HG2  ILE  30          1HG2      ILE  30  11.122   1.198  -1.312
  260   2HG2  ILE  30          2HG2      ILE  30   9.929   1.141  -0.013
  261   3HG2  ILE  30          3HG2      ILE  30  11.611   0.725   0.315
  262   1HD1  ILE  30          1HD1      ILE  30   8.298   0.405  -0.381
  263   2HD1  ILE  30          2HD1      ILE  30   7.598   0.308  -1.997
  264   3HD1  ILE  30          3HD1      ILE  30   7.393  -1.029  -0.866
  265    H    GLN  31           H        GLN  31  12.465  -2.968   0.565
  266    HA   GLN  31           HA       GLN  31  14.207  -1.284   1.980
  267   1HB   GLN  31          1HB       GLN  31  14.229  -4.311   1.841
  268   2HB   GLN  31          2HB       GLN  31  15.029  -3.337   3.066
  269   1HG   GLN  31          1HG       GLN  31  12.842  -2.492   3.795
  270   2HG   GLN  31          2HG       GLN  31  12.063  -3.529   2.600
  271   1HE2  GLN  31          2HE2      GLN  31  11.321  -5.359   3.368
  272   2HE2  GLN  31          1HE2      GLN  31  11.942  -6.228   4.724
  273    H    ASP  32           H        ASP  32  14.736  -3.707  -0.525
  274    HA   ASP  32           HA       ASP  32  17.554  -3.435  -0.627
  275   1HB   ASP  32          1HB       ASP  32  16.383  -5.407  -1.540
  276   2HB   ASP  32          2HB       ASP  32  15.632  -4.390  -2.764
  277    H    LYS  33           H        LYS  33  14.844  -1.923  -2.206
  278    HA   LYS  33           HA       LYS  33  16.394  -0.342  -4.016
  279   1HB   LYS  33          1HB       LYS  33  13.490  -0.302  -3.201
  280   2HB   LYS  33          2HB       LYS  33  14.168   0.816  -4.381
  281   1HG   LYS  33          1HG       LYS  33  14.826  -1.090  -5.782
  282   2HG   LYS  33          2HG       LYS  33  14.104  -2.186  -4.605
  283   1HD   LYS  33          1HD       LYS  33  12.568  -1.823  -6.440
  284   2HD   LYS  33          2HD       LYS  33  11.922  -1.103  -4.966
  285   1HE   LYS  33          1HE       LYS  33  11.602   0.380  -6.871
  286   2HE   LYS  33          2HE       LYS  33  12.700   1.096  -5.691
  287   1HZ   LYS  33          1HZ       LYS  33  14.049  -0.449  -7.699
  288   2HZ   LYS  33          2HZ       LYS  33  13.183   0.852  -8.345
  289   3HZ   LYS  33          3HZ       LYS  33  14.357   1.124  -7.158
  290    H    GLU  34           H        GLU  34  16.231  -0.230  -0.817
  291    HA   GLU  34           HA       GLU  34  17.220   2.417  -0.619
  292   1HB   GLU  34          1HB       GLU  34  14.808   2.936  -0.827
  293   2HB   GLU  34          2HB       GLU  34  14.483   1.934   0.579
  294   1HG   GLU  34          1HG       GLU  34  14.497   4.278   1.175
  295   2HG   GLU  34          2HG       GLU  34  15.824   3.428   1.963
  296    H    GLY  35           H        GLY  35  15.288   1.411   2.052
  297   1HA   GLY  35          1HA       GLY  35  17.641   0.942   3.642
  298   2HA   GLY  35          2HA       GLY  35  16.715  -0.518   3.332
  299    H    ILE  36           H        ILE  36  14.147   0.293   3.497
  300    HA   ILE  36           HA       ILE  36  13.945   1.333   6.243
  301    HB   ILE  36           HB       ILE  36  11.446   1.634   4.937
  302   1HG1  ILE  36          1HG1      ILE  36  12.155   3.364   3.224
  303   2HG1  ILE  36          2HG1      ILE  36  13.788   2.726   3.369
  304   1HG2  ILE  36          1HG2      ILE  36  13.458   3.305   6.296
  305   2HG2  ILE  36          2HG2      ILE  36  12.294   4.150   5.275
  306   3HG2  ILE  36          3HG2      ILE  36  11.728   3.127   6.597
  307   1HD1  ILE  36          1HD1      ILE  36  12.231   0.487   2.913
  308   2HD1  ILE  36          2HD1      ILE  36  11.540   1.726   1.865
  309   3HD1  ILE  36          3HD1      ILE  36  13.254   1.322   1.740
  310    HA   PRO  37           HA       PRO  37  12.345  -2.674   7.348
  311   1HB   PRO  37          1HB       PRO  37  10.862  -0.971   9.306
  312   2HB   PRO  37          2HB       PRO  37  11.778  -2.455   9.579
  313   1HG   PRO  37          1HG       PRO  37  12.817  -0.103  10.234
  314   2HG   PRO  37          2HG       PRO  37  13.828  -1.359   9.496
  315   1HD   PRO  37          1HD       PRO  37  12.705   1.125   8.287
  316   2HD   PRO  37          2HD       PRO  37  14.247   0.310   7.966
  317    HA   PRO  38           HA       PRO  38   8.510  -2.879   5.135
  318   1HB   PRO  38          1HB       PRO  38   7.851  -5.093   6.999
  319   2HB   PRO  38          2HB       PRO  38   7.897  -5.084   5.236
  320   1HG   PRO  38          1HG       PRO  38   9.813  -6.278   6.661
  321   2HG   PRO  38          2HG       PRO  38  10.183  -5.413   5.158
  322   1HD   PRO  38          1HD       PRO  38  10.625  -4.576   7.989
  323   2HD   PRO  38          2HD       PRO  38  11.627  -4.282   6.555
  324    H    ASP  39           H        ASP  39   8.445  -3.124   8.668
  325    HA   ASP  39           HA       ASP  39   5.718  -2.568   9.023
  326   1HB   ASP  39          1HB       ASP  39   8.036  -2.029  10.890
  327   2HB   ASP  39          2HB       ASP  39   6.339  -2.023  11.350
  328    H    GLN  40           H        GLN  40   8.537  -0.450   8.779
  329    HA   GLN  40           HA       GLN  40   7.247   1.921   9.539
  330   1HB   GLN  40          1HB       GLN  40   9.641   1.508   7.750
  331   2HB   GLN  40          2HB       GLN  40   9.130   3.065   8.384
  332   1HG   GLN  40          1HG       GLN  40   9.449   2.216  10.669
  333   2HG   GLN  40          2HG       GLN  40  10.022   0.689  10.002
  334   1HE2  GLN  40          2HE2      GLN  40  11.032   3.019   7.928
  335   2HE2  GLN  40          1HE2      GLN  40  12.606   3.317   8.572
  336    H    GLN  41           H        GLN  41   7.604   0.361   6.387
  337    HA   GLN  41           HA       GLN  41   6.640   2.457   4.803
  338   1HB   GLN  41          1HB       GLN  41   6.427  -0.529   4.389
  339   2HB   GLN  41          2HB       GLN  41   6.108   0.680   3.151
  340   1HG   GLN  41          1HG       GLN  41   8.384   1.418   3.195
  341   2HG   GLN  41          2HG       GLN  41   8.738   0.387   4.580
  342   1HE2  GLN  41          2HE2      GLN  41   9.932  -1.264   4.021
  343   2HE2  GLN  41          1HE2      GLN  41   9.792  -2.183   2.566
  344    H    ARG  42           H        ARG  42   4.783   3.480   5.094
  345    HA   ARG  42           HA       ARG  42   2.503   2.192   6.264
  346   1HB   ARG  42          1HB       ARG  42   3.058   4.503   6.843
  347   2HB   ARG  42          2HB       ARG  42   2.840   4.983   5.166
  348   1HG   ARG  42          1HG       ARG  42   0.476   4.382   5.299
  349   2HG   ARG  42          2HG       ARG  42   0.695   3.903   6.982
  350   1HD   ARG  42          1HD       ARG  42  -0.257   6.141   6.832
  351   2HD   ARG  42          2HD       ARG  42   1.352   6.185   7.552
  352    HE   ARG  42           HE       ARG  42   1.605   6.610   4.799
  353   1HH1  ARG  42          1HH1      ARG  42   0.306   8.192   7.620
  354   2HH1  ARG  42          2HH1      ARG  42   0.543   9.788   6.991
  355   1HH2  ARG  42          1HH2      ARG  42   1.921   8.709   3.965
  356   2HH2  ARG  42          2HH2      ARG  42   1.461  10.082   4.915
  357    H    LEU  43           H        LEU  43   0.769   1.372   5.244
  358    HA   LEU  43           HA       LEU  43   0.805   1.230   2.366
  359   1HB   LEU  43          1HB       LEU  43  -1.290   0.211   4.283
  360   2HB   LEU  43          2HB       LEU  43  -1.139  -0.214   2.590
  361    HG   LEU  43           HG       LEU  43   0.700  -0.981   4.846
  362   1HD1  LEU  43          1HD1      LEU  43   2.028  -0.334   2.881
  363   2HD1  LEU  43          2HD1      LEU  43   2.113  -2.068   3.198
  364   3HD1  LEU  43          3HD1      LEU  43   1.093  -1.459   1.895
  365   1HD2  LEU  43          1HD2      LEU  43  -1.521  -2.218   3.564
  366   2HD2  LEU  43          2HD2      LEU  43  -0.062  -3.142   3.206
  367   3HD2  LEU  43          3HD2      LEU  43  -0.517  -2.828   4.880
  368    H    ILE  44           H        ILE  44  -0.453   2.287   0.951
  369    HA   ILE  44           HA       ILE  44  -2.690   3.890   1.918
  370    HB   ILE  44           HB       ILE  44  -0.428   5.050   0.292
  371   1HG1  ILE  44          1HG1      ILE  44  -1.420   5.764   3.059
  372   2HG1  ILE  44          2HG1      ILE  44   0.019   4.804   2.727
  373   1HG2  ILE  44          1HG2      ILE  44  -2.726   5.809  -0.359
  374   2HG2  ILE  44          2HG2      ILE  44  -2.909   6.445   1.276
  375   3HG2  ILE  44          3HG2      ILE  44  -1.659   7.092   0.214
  376   1HD1  ILE  44          1HD1      ILE  44   0.073   7.303   1.297
  377   2HD1  ILE  44          2HD1      ILE  44  -0.119   7.545   3.033
  378   3HD1  ILE  44          3HD1      ILE  44   1.246   6.612   2.418
  379    H    PHE  45           H        PHE  45  -4.364   3.906   0.532
  380    HA   PHE  45           HA       PHE  45  -3.896   2.926  -2.205
  381   1HB   PHE  45          1HB       PHE  45  -6.264   2.227  -0.456
  382   2HB   PHE  45          2HB       PHE  45  -5.945   1.624  -2.079
  383    HD1  PHE  45           HD1      PHE  45  -4.947  -0.435  -2.313
  384    HD2  PHE  45           HD2      PHE  45  -4.366   1.738   1.299
  385    HE1  PHE  45           HE1      PHE  45  -3.735  -2.350  -1.356
  386    HE2  PHE  45           HE2      PHE  45  -3.148  -0.171   2.258
  387    HZ   PHE  45           HZ       PHE  45  -2.831  -2.219   0.929
  388    H    ALA  46           H        ALA  46  -5.055   3.916  -3.851
  389    HA   ALA  46           HA       ALA  46  -7.198   5.762  -3.146
  390   1HB   ALA  46          1HB       ALA  46  -5.273   7.174  -2.835
  391   2HB   ALA  46          2HB       ALA  46  -4.649   6.735  -4.426
  392   3HB   ALA  46          3HB       ALA  46  -6.135   7.675  -4.290
  393    H    GLY  47           H        GLY  47  -8.750   5.662  -4.611
  394   1HA   GLY  47          1HA       GLY  47  -9.880   5.210  -6.553
  395   2HA   GLY  47          2HA       GLY  47  -8.599   4.065  -6.914
  396    H    LYS  48           H        LYS  48  -8.321   4.473  -9.048
  397    HA   LYS  48           HA       LYS  48  -6.781   6.744  -9.802
  398   1HB   LYS  48          1HB       LYS  48  -8.123   4.643 -11.506
  399   2HB   LYS  48          2HB       LYS  48  -6.947   5.812 -12.085
  400   1HG   LYS  48          1HG       LYS  48  -6.431   3.692 -10.010
  401   2HG   LYS  48          2HG       LYS  48  -5.944   3.620 -11.702
  402   1HD   LYS  48          1HD       LYS  48  -5.041   5.698  -9.710
  403   2HD   LYS  48          2HD       LYS  48  -4.094   4.307 -10.239
  404   1HE   LYS  48          1HE       LYS  48  -4.144   5.146 -12.536
  405   2HE   LYS  48          2HE       LYS  48  -5.093   6.534 -12.010
  406   1HZ   LYS  48          1HZ       LYS  48  -2.844   6.436 -10.389
  407   2HZ   LYS  48          2HZ       LYS  48  -2.296   6.197 -11.972
  408   3HZ   LYS  48          3HZ       LYS  48  -3.203   7.573 -11.588
  409    H    GLN  49           H        GLN  49  -8.310   8.372  -9.036
  410    HA   GLN  49           HA       GLN  49 -10.729   8.834 -10.465
  411   1HB   GLN  49          1HB       GLN  49  -9.015  10.706  -8.815
  412   2HB   GLN  49          2HB       GLN  49 -10.615  11.098  -9.427
  413   1HG   GLN  49          1HG       GLN  49 -10.014   8.834  -7.540
  414   2HG   GLN  49          2HG       GLN  49 -10.584  10.425  -7.049
  415   1HE2  GLN  49          2HE2      GLN  49 -12.059   9.983  -9.890
  416   2HE2  GLN  49          1HE2      GLN  49 -13.520   9.226  -9.372
  417    H    LEU  50           H        LEU  50 -10.544   9.013 -12.602
  418    HA   LEU  50           HA       LEU  50  -8.461   9.793 -14.153
  419   1HB   LEU  50          1HB       LEU  50 -11.407  10.192 -14.617
  420   2HB   LEU  50          2HB       LEU  50 -10.205  10.548 -15.842
  421    HG   LEU  50           HG       LEU  50 -11.210   8.365 -16.225
  422   1HD1  LEU  50          1HD1      LEU  50 -11.708   7.949 -13.786
  423   2HD1  LEU  50          2HD1      LEU  50 -11.107   6.567 -14.703
  424   3HD1  LEU  50          3HD1      LEU  50 -10.025   7.445 -13.620
  425   1HD2  LEU  50          1HD2      LEU  50  -8.754   8.843 -16.677
  426   2HD2  LEU  50          2HD2      LEU  50  -8.417   7.886 -15.235
  427   3HD2  LEU  50          3HD2      LEU  50  -9.242   7.150 -16.609
  428    H    GLU  51           H        GLU  51  -7.396  11.472 -12.969
  429    HA   GLU  51           HA       GLU  51  -6.756  13.626 -12.606
  430   1HB   GLU  51          1HB       GLU  51  -8.533  14.155 -14.995
  431   2HB   GLU  51          2HB       GLU  51  -7.358  15.284 -14.336
  432   1HG   GLU  51          1HG       GLU  51  -5.558  13.718 -14.857
  433   2HG   GLU  51          2HG       GLU  51  -6.738  12.589 -15.522
  434    H1   GLY  -1           H1       GLY  -1  -4.017  -6.311  15.097
  435    H2   GLY  -1           H2       GLY  -1  -3.768  -6.182  16.766
  436    H3   GLY  -1           H3       GLY  -1  -5.151  -5.507  16.062
  437   1HA   GLY  -1          1HA       GLY  -1  -3.149  -3.997  16.682
  438   2HA   GLY  -1          2HA       GLY  -1  -4.052  -3.721  15.199
  439    H    SER   0           H        SER   0  -3.108  -5.703  13.558
  440    HA   SER   0           HA       SER   0  -0.329  -6.055  13.538
  441   1HB   SER   0          1HB       SER   0  -1.831  -7.434  12.183
  442   2HB   SER   0          2HB       SER   0  -2.257  -6.029  11.204
  443    HG   SER   0           HG       SER   0   0.041  -5.915  10.690
  444    H    MET   1           H        MET   1  -2.280  -3.817  11.556
  445    HA   MET   1           HA       MET   1  -0.652  -1.585  11.931
  446   1HB   MET   1          1HB       MET   1   0.465  -1.494   9.685
  447   2HB   MET   1          2HB       MET   1   1.115  -2.705  10.781
  448   1HG   MET   1          1HG       MET   1  -0.083  -4.452   9.623
  449   2HG   MET   1          2HG       MET   1  -0.855  -3.265   8.575
  450   1HE   MET   1          1HE       MET   1   0.430  -1.516   7.489
  451   2HE   MET   1          2HE       MET   1   2.190  -1.454   7.380
  452   3HE   MET   1          3HE       MET   1   1.250  -2.191   6.081
  453    H    GLN   2           H        GLN   2  -2.319  -0.217  11.806
  454    HA   GLN   2           HA       GLN   2  -4.490  -0.485  10.008
  455   1HB   GLN   2          1HB       GLN   2  -5.128   1.764  10.794
  456   2HB   GLN   2          2HB       GLN   2  -4.742   0.686  12.125
  457   1HG   GLN   2          1HG       GLN   2  -2.483   1.710  12.222
  458   2HG   GLN   2          2HG       GLN   2  -3.001   2.863  10.996
  459   1HE2  GLN   2          2HE2      GLN   2  -5.619   2.130  12.888
  460   2HE2  GLN   2          1HE2      GLN   2  -5.529   3.445  14.003
  461    H    ILE   3           H        ILE   3  -4.685   0.142   7.955
  462    HA   ILE   3           HA       ILE   3  -2.470   1.599   6.730
  463    HB   ILE   3           HB       ILE   3  -3.347   0.833   4.594
  464   1HG1  ILE   3          1HG1      ILE   3  -5.548  -0.431   6.243
  465   2HG1  ILE   3          2HG1      ILE   3  -5.738   0.894   5.099
  466   1HG2  ILE   3          1HG2      ILE   3  -1.829  -0.626   5.814
  467   2HG2  ILE   3          2HG2      ILE   3  -3.194  -1.376   6.640
  468   3HG2  ILE   3          3HG2      ILE   3  -3.002  -1.572   4.898
  469   1HD1  ILE   3          1HD1      ILE   3  -4.525  -1.556   4.019
  470   2HD1  ILE   3          2HD1      ILE   3  -6.218  -1.676   4.511
  471   3HD1  ILE   3          3HD1      ILE   3  -5.728  -0.470   3.319
  472    H    PHE   4           H        PHE   4  -2.655   3.549   5.776
  473    HA   PHE   4           HA       PHE   4  -5.131   5.021   6.203
  474   1HB   PHE   4          1HB       PHE   4  -2.401   5.921   5.254
  475   2HB   PHE   4          2HB       PHE   4  -3.777   6.993   5.471
  476    HD1  PHE   4           HD1      PHE   4  -3.507   8.335   7.294
  477    HD2  PHE   4           HD2      PHE   4  -2.265   4.272   7.544
  478    HE1  PHE   4           HE1      PHE   4  -2.879   8.676   9.647
  479    HE2  PHE   4           HE2      PHE   4  -1.637   4.606   9.898
  480    HZ   PHE   4           HZ       PHE   4  -1.944   6.810  10.954
  481    H    VAL   5           H        VAL   5  -6.570   5.405   4.629
  482    HA   VAL   5           HA       VAL   5  -5.715   5.522   1.860
  483    HB   VAL   5           HB       VAL   5  -6.108   3.240   1.793
  484   1HG1  VAL   5          1HG1      VAL   5  -7.661   3.718   4.107
  485   2HG1  VAL   5          2HG1      VAL   5  -8.664   2.828   2.961
  486   3HG1  VAL   5          3HG1      VAL   5  -7.102   2.177   3.456
  487   1HG2  VAL   5          1HG2      VAL   5  -7.763   4.830   0.374
  488   2HG2  VAL   5          2HG2      VAL   5  -7.698   3.076   0.205
  489   3HG2  VAL   5          3HG2      VAL   5  -8.936   3.818   1.218
  490    H    LYS   6           H        LYS   6  -6.846   6.952   0.716
  491    HA   LYS   6           HA       LYS   6  -8.973   8.403   2.039
  492   1HB   LYS   6          1HB       LYS   6  -7.200   9.612   0.847
  493   2HB   LYS   6          2HB       LYS   6  -7.666   8.826  -0.655
  494   1HG   LYS   6          1HG       LYS   6  -9.847   9.926  -0.553
  495   2HG   LYS   6          2HG       LYS   6  -9.374  10.717   0.950
  496   1HD   LYS   6          1HD       LYS   6  -7.998  11.049  -1.716
  497   2HD   LYS   6          2HD       LYS   6  -9.118  12.203  -0.990
  498   1HE   LYS   6          1HE       LYS   6  -6.471  11.335   0.166
  499   2HE   LYS   6          2HE       LYS   6  -6.796  12.871  -0.634
  500   1HZ   LYS   6          1HZ       LYS   6  -8.678  12.902   1.232
  501   2HZ   LYS   6          2HZ       LYS   6  -7.507  11.988   2.041
  502   3HZ   LYS   6          3HZ       LYS   6  -7.129  13.537   1.477
  503    H    THR   7           H        THR   7 -11.096   8.206   1.653
  504    HA   THR   7           HA       THR   7 -12.025   6.148  -0.121
  505    HB   THR   7           HB       THR   7 -14.287   6.789   0.646
  506    HG1  THR   7           HG1      THR   7 -12.871   8.989   1.589
  507   1HG2  THR   7          1HG2      THR   7 -12.639   5.309   1.974
  508   2HG2  THR   7          2HG2      THR   7 -12.521   6.688   3.068
  509   3HG2  THR   7          3HG2      THR   7 -14.080   5.909   2.796
  510    H    LEU   8           H        LEU   8 -14.498   7.380  -0.884
  511    HA   LEU   8           HA       LEU   8 -13.619   8.667  -3.308
  512   1HB   LEU   8          1HB       LEU   8 -16.362   7.953  -2.277
  513   2HB   LEU   8          2HB       LEU   8 -16.056   8.652  -3.855
  514    HG   LEU   8           HG       LEU   8 -14.817   6.048  -2.989
  515   1HD1  LEU   8          1HD1      LEU   8 -14.075   7.560  -5.012
  516   2HD1  LEU   8          2HD1      LEU   8 -14.149   5.804  -5.154
  517   3HD1  LEU   8          3HD1      LEU   8 -15.460   6.795  -5.788
  518   1HD2  LEU   8          1HD2      LEU   8 -17.414   6.469  -4.451
  519   2HD2  LEU   8          2HD2      LEU   8 -16.587   4.925  -4.248
  520   3HD2  LEU   8          3HD2      LEU   8 -17.216   5.778  -2.840
  521    H    THR   9           H        THR   9 -15.751   9.554  -0.593
  522    HA   THR   9           HA       THR   9 -16.128  12.227  -1.495
  523    HB   THR   9           HB       THR   9 -17.797  11.231  -0.070
  524    HG1  THR   9           HG1      THR   9 -17.444  12.914   1.802
  525   1HG2  THR   9          1HG2      THR   9 -16.276   9.752   1.209
  526   2HG2  THR   9          2HG2      THR   9 -15.707  11.158   2.108
  527   3HG2  THR   9          3HG2      THR   9 -17.390  10.647   2.243
  528    H    GLY  10           H        GLY  10 -14.049  10.776   1.007
  529   1HA   GLY  10          1HA       GLY  10 -12.868  13.356   1.612
  530   2HA   GLY  10          2HA       GLY  10 -11.822  12.252   0.737
  531    H    LYS  11           H        LYS  11 -14.190  11.331   3.173
  532    HA   LYS  11           HA       LYS  11 -12.692  11.313   5.466
  533   1HB   LYS  11          1HB       LYS  11 -15.070  10.741   5.404
  534   2HB   LYS  11          2HB       LYS  11 -14.699   9.229   4.592
  535   1HG   LYS  11          1HG       LYS  11 -13.412   8.521   6.578
  536   2HG   LYS  11          2HG       LYS  11 -13.906  10.006   7.389
  537   1HD   LYS  11          1HD       LYS  11 -16.259   9.348   7.139
  538   2HD   LYS  11          2HD       LYS  11 -15.747   7.849   6.359
  539   1HE   LYS  11          1HE       LYS  11 -14.547   7.205   8.394
  540   2HE   LYS  11          2HE       LYS  11 -15.072   8.696   9.173
  541   1HZ   LYS  11          1HZ       LYS  11 -17.036   6.790   8.071
  542   2HZ   LYS  11          2HZ       LYS  11 -16.391   6.572   9.619
  543   3HZ   LYS  11          3HZ       LYS  11 -17.262   7.976   9.255
  544    H    THR  12           H        THR  12 -11.010  10.222   6.246
  545    HA   THR  12           HA       THR  12  -9.665   8.300   4.560
  546    HB   THR  12           HB       THR  12  -8.910   9.296   7.312
  547    HG1  THR  12           HG1      THR  12  -7.302  10.407   5.732
  548   1HG2  THR  12          1HG2      THR  12  -7.860   7.186   5.740
  549   2HG2  THR  12          2HG2      THR  12  -6.691   8.507   5.704
  550   3HG2  THR  12          3HG2      THR  12  -7.224   7.843   7.248
  551    H    ILE  13           H        ILE  13  -9.571   6.138   4.831
  552    HA   ILE  13           HA       ILE  13 -11.160   4.994   7.013
  553    HB   ILE  13           HB       ILE  13 -10.426   2.892   5.368
  554   1HG1  ILE  13          1HG1      ILE  13 -11.192   5.275   3.672
  555   2HG1  ILE  13          2HG1      ILE  13  -9.625   4.470   3.671
  556   1HG2  ILE  13          1HG2      ILE  13 -12.886   4.486   5.822
  557   2HG2  ILE  13          2HG2      ILE  13 -12.879   3.278   4.532
  558   3HG2  ILE  13          3HG2      ILE  13 -12.536   2.794   6.196
  559   1HD1  ILE  13          1HD1      ILE  13 -11.449   2.439   3.199
  560   2HD1  ILE  13          2HD1      ILE  13 -12.034   3.803   2.247
  561   3HD1  ILE  13          3HD1      ILE  13 -10.388   3.212   2.023
  562    H    THR  14           H        THR  14 -10.296   3.820   8.576
  563    HA   THR  14           HA       THR  14  -7.417   3.229   8.438
  564    HB   THR  14           HB       THR  14  -8.977   3.051  10.991
  565    HG1  THR  14           HG1      THR  14  -9.469   5.109  10.753
  566   1HG2  THR  14          1HG2      THR  14  -6.149   3.745  10.218
  567   2HG2  THR  14          2HG2      THR  14  -6.775   3.933  11.856
  568   3HG2  THR  14          3HG2      THR  14  -6.710   2.334  11.116
  569    H    LEU  15           H        LEU  15  -6.746   1.113   8.518
  570    HA   LEU  15           HA       LEU  15  -8.465  -0.962   9.514
  571   1HB   LEU  15          1HB       LEU  15  -9.615  -1.201   7.610
  572   2HB   LEU  15          2HB       LEU  15  -8.494  -0.208   6.706
  573    HG   LEU  15           HG       LEU  15  -7.013  -2.217   6.473
  574   1HD1  LEU  15          1HD1      LEU  15  -9.673  -1.823   5.277
  575   2HD1  LEU  15          2HD1      LEU  15  -8.088  -1.935   4.514
  576   3HD1  LEU  15          3HD1      LEU  15  -8.936  -3.402   5.005
  577   1HD2  LEU  15          1HD2      LEU  15  -8.780  -3.298   8.374
  578   2HD2  LEU  15          2HD2      LEU  15  -9.049  -4.183   6.872
  579   3HD2  LEU  15          3HD2      LEU  15  -7.431  -4.096   7.567
  580    H    GLU  16           H        GLU  16  -7.101  -2.212  10.561
  581    HA   GLU  16           HA       GLU  16  -4.321  -2.404   9.874
  582   1HB   GLU  16          1HB       GLU  16  -4.169  -3.857  11.845
  583   2HB   GLU  16          2HB       GLU  16  -5.033  -2.371  12.210
  584   1HG   GLU  16          1HG       GLU  16  -7.159  -3.559  12.026
  585   2HG   GLU  16          2HG       GLU  16  -6.293  -5.049  11.662
  586    H    VAL  17           H        VAL  17  -3.228  -4.115   8.999
  587    HA   VAL  17           HA       VAL  17  -4.577  -6.625   8.462
  588    HB   VAL  17           HB       VAL  17  -3.949  -6.540   6.020
  589   1HG1  VAL  17          1HG1      VAL  17  -2.961  -3.975   6.832
  590   2HG1  VAL  17          2HG1      VAL  17  -2.762  -4.817   5.295
  591   3HG1  VAL  17          3HG1      VAL  17  -4.171  -3.791   5.563
  592   1HG2  VAL  17          1HG2      VAL  17  -6.265  -6.198   6.984
  593   2HG2  VAL  17          2HG2      VAL  17  -6.003  -4.473   6.728
  594   3HG2  VAL  17          3HG2      VAL  17  -5.986  -5.581   5.356
  595    H    GLU  18           H        GLU  18  -3.190  -8.303   8.389
  596    HA   GLU  18           HA       GLU  18  -0.548  -8.003   9.252
  597   1HB   GLU  18          1HB       GLU  18  -1.768 -10.363   7.807
  598   2HB   GLU  18          2HB       GLU  18  -0.305 -10.391   8.783
  599   1HG   GLU  18          1HG       GLU  18  -1.615  -9.800  10.761
  600   2HG   GLU  18          2HG       GLU  18  -3.080  -9.790   9.779
  601    HA   PRO  19           HA       PRO  19   1.743  -6.859   5.639
  602   1HB   PRO  19          1HB       PRO  19   4.054  -8.283   6.218
  603   2HB   PRO  19          2HB       PRO  19   3.679  -6.671   6.820
  604   1HG   PRO  19          1HG       PRO  19   3.358  -9.314   8.161
  605   2HG   PRO  19          2HG       PRO  19   3.891  -7.769   8.843
  606   1HD   PRO  19          1HD       PRO  19   1.412  -8.686   9.260
  607   2HD   PRO  19          2HD       PRO  19   1.719  -6.955   9.013
  608    H    SER  20           H        SER  20   1.843 -10.230   6.687
  609    HA   SER  20           HA       SER  20   2.679 -11.338   4.245
  610   1HB   SER  20          1HB       SER  20   2.829 -12.541   6.367
  611   2HB   SER  20          2HB       SER  20   1.072 -12.585   6.480
  612    HG   SER  20           HG       SER  20   0.981 -14.050   4.897
  613    H    ASP  21           H        ASP  21  -0.460 -10.363   5.425
  614    HA   ASP  21           HA       ASP  21  -2.122 -11.812   3.724
  615   1HB   ASP  21          1HB       ASP  21  -2.937 -10.419   5.598
  616   2HB   ASP  21          2HB       ASP  21  -2.525  -8.970   4.684
  617    H    THR  22           H        THR  22  -2.727 -11.634   1.637
  618    HA   THR  22           HA       THR  22  -1.056 -10.277  -0.181
  619    HB   THR  22           HB       THR  22  -2.659 -10.987  -1.918
  620    HG1  THR  22           HG1      THR  22  -4.186 -11.929   0.300
  621   1HG2  THR  22          1HG2      THR  22  -0.969 -12.538  -0.577
  622   2HG2  THR  22          2HG2      THR  22  -2.469 -13.350  -0.127
  623   3HG2  THR  22          3HG2      THR  22  -2.033 -13.181  -1.827
  624    H    ILE  23           H        ILE  23  -1.398  -8.515  -1.495
  625    HA   ILE  23           HA       ILE  23  -2.647  -6.282  -0.410
  626    HB   ILE  23           HB       ILE  23  -1.991  -6.767  -3.319
  627   1HG1  ILE  23          1HG1      ILE  23  -0.349  -5.475  -1.126
  628   2HG1  ILE  23          2HG1      ILE  23  -0.059  -7.073  -1.808
  629   1HG2  ILE  23          1HG2      ILE  23  -3.526  -4.878  -2.942
  630   2HG2  ILE  23          2HG2      ILE  23  -2.353  -4.167  -1.835
  631   3HG2  ILE  23          3HG2      ILE  23  -1.953  -4.356  -3.542
  632   1HD1  ILE  23          1HD1      ILE  23  -0.145  -4.823  -3.717
  633   2HD1  ILE  23          2HD1      ILE  23   1.231  -4.888  -2.614
  634   3HD1  ILE  23          3HD1      ILE  23   0.891  -6.251  -3.680
  635    H    GLU  24           H        GLU  24  -3.841  -8.603  -2.788
  636    HA   GLU  24           HA       GLU  24  -6.132  -7.262  -3.617
  637   1HB   GLU  24          1HB       GLU  24  -7.020  -9.501  -4.192
  638   2HB   GLU  24          2HB       GLU  24  -5.372  -9.258  -4.746
  639   1HG   GLU  24          1HG       GLU  24  -4.534 -10.551  -2.860
  640   2HG   GLU  24          2HG       GLU  24  -6.184 -10.778  -2.279
  641    H    ASN  25           H        ASN  25  -5.619  -9.310  -0.780
  642    HA   ASN  25           HA       ASN  25  -8.332  -9.371   0.026
  643   1HB   ASN  25          1HB       ASN  25  -5.755  -9.915   1.480
  644   2HB   ASN  25          2HB       ASN  25  -7.318 -10.026   2.280
  645   1HD2  ASN  25          2HD2      ASN  25  -7.916 -12.052   2.460
  646   2HD2  ASN  25          1HD2      ASN  25  -7.735 -13.282   1.260
  647    H    VAL  26           H        VAL  26  -5.594  -7.347   1.158
  648    HA   VAL  26           HA       VAL  26  -7.025  -5.946   3.101
  649    HB   VAL  26           HB       VAL  26  -5.349  -4.232   3.035
  650   1HG1  VAL  26          1HG1      VAL  26  -4.834  -6.791   3.615
  651   2HG1  VAL  26          2HG1      VAL  26  -3.625  -6.526   2.358
  652   3HG1  VAL  26          3HG1      VAL  26  -3.646  -5.499   3.794
  653   1HG2  VAL  26          1HG2      VAL  26  -5.298  -3.930   0.589
  654   2HG2  VAL  26          2HG2      VAL  26  -3.694  -4.009   1.316
  655   3HG2  VAL  26          3HG2      VAL  26  -4.343  -5.405   0.455
  656    H    LYS  27           H        LYS  27  -6.684  -5.294  -0.362
  657    HA   LYS  27           HA       LYS  27  -8.108  -2.832  -0.312
  658   1HB   LYS  27          1HB       LYS  27  -7.668  -4.728  -2.627
  659   2HB   LYS  27          2HB       LYS  27  -8.199  -3.058  -2.754
  660   1HG   LYS  27          1HG       LYS  27  -6.043  -2.374  -1.695
  661   2HG   LYS  27          2HG       LYS  27  -5.521  -4.055  -1.818
  662   1HD   LYS  27          1HD       LYS  27  -6.315  -2.270  -4.117
  663   2HD   LYS  27          2HD       LYS  27  -4.668  -2.732  -3.682
  664   1HE   LYS  27          1HE       LYS  27  -5.261  -5.094  -4.079
  665   2HE   LYS  27          2HE       LYS  27  -6.869  -4.580  -4.591
  666   1HZ   LYS  27          1HZ       LYS  27  -4.739  -3.221  -5.961
  667   2HZ   LYS  27          2HZ       LYS  27  -4.738  -4.892  -6.223
  668   3HZ   LYS  27          3HZ       LYS  27  -6.115  -3.980  -6.586
  669    H    ALA  28           H        ALA  28  -9.018  -6.186  -0.860
  670    HA   ALA  28           HA       ALA  28 -11.595  -5.874  -1.816
  671   1HB   ALA  28          1HB       ALA  28 -12.033  -8.116  -0.920
  672   2HB   ALA  28          2HB       ALA  28 -10.476  -8.022  -1.742
  673   3HB   ALA  28          3HB       ALA  28 -10.544  -8.021   0.020
  674    H    LYS  29           H        LYS  29 -10.470  -5.859   1.547
  675    HA   LYS  29           HA       LYS  29 -13.062  -5.732   2.697
  676   1HB   LYS  29          1HB       LYS  29 -10.493  -4.727   3.929
  677   2HB   LYS  29          2HB       LYS  29 -11.939  -5.271   4.767
  678   1HG   LYS  29          1HG       LYS  29 -11.547  -7.538   3.781
  679   2HG   LYS  29          2HG       LYS  29 -10.000  -6.936   3.187
  680   1HD   LYS  29          1HD       LYS  29  -9.682  -8.126   5.270
  681   2HD   LYS  29          2HD       LYS  29  -9.344  -6.410   5.501
  682   1HE   LYS  29          1HE       LYS  29 -10.631  -7.257   7.368
  683   2HE   LYS  29          2HE       LYS  29 -11.599  -6.115   6.439
  684   1HZ   LYS  29          1HZ       LYS  29 -11.780  -9.013   5.918
  685   2HZ   LYS  29          2HZ       LYS  29 -12.665  -8.308   7.175
  686   3HZ   LYS  29          3HZ       LYS  29 -12.912  -7.801   5.581
  687    H    ILE  30           H        ILE  30 -10.722  -3.326   1.644
  688    HA   ILE  30           HA       ILE  30 -11.941  -1.058   2.730
  689    HB   ILE  30           HB       ILE  30 -10.406  -1.311   0.139
  690   1HG1  ILE  30          1HG1      ILE  30  -9.541  -0.498   2.924
  691   2HG1  ILE  30          2HG1      ILE  30  -9.125  -2.001   2.111
  692   1HG2  ILE  30          1HG2      ILE  30 -11.247   1.117   1.724
  693   2HG2  ILE  30          2HG2      ILE  30 -10.012   1.146   0.462
  694   3HG2  ILE  30          3HG2      ILE  30 -11.674   0.716   0.058
  695   1HD1  ILE  30          1HD1      ILE  30  -8.393   0.353   0.575
  696   2HD1  ILE  30          2HD1      ILE  30  -7.614   0.280   2.155
  697   3HD1  ILE  30          3HD1      ILE  30  -7.436  -1.059   1.021
  698    H    GLN  31           H        GLN  31 -12.653  -2.962  -0.132
  699    HA   GLN  31           HA       GLN  31 -14.477  -1.217  -1.376
  700   1HB   GLN  31          1HB       GLN  31 -14.497  -4.248  -1.339
  701   2HB   GLN  31          2HB       GLN  31 -15.363  -3.230  -2.480
  702   1HG   GLN  31          1HG       GLN  31 -13.231  -2.383  -3.333
  703   2HG   GLN  31          2HG       GLN  31 -12.374  -3.433  -2.204
  704   1HE2  GLN  31          2HE2      GLN  31 -11.671  -5.245  -3.049
  705   2HE2  GLN  31          1HE2      GLN  31 -12.371  -6.100  -4.373
  706    H    ASP  32           H        ASP  32 -14.764  -3.674   1.120
  707    HA   ASP  32           HA       ASP  32 -17.568  -3.489   1.447
  708   1HB   ASP  32          1HB       ASP  32 -16.239  -5.420   2.252
  709   2HB   ASP  32          2HB       ASP  32 -15.471  -4.377   3.441
  710    H    LYS  33           H        LYS  33 -14.784  -1.905   2.809
  711    HA   LYS  33           HA       LYS  33 -16.237  -0.343   4.723
  712   1HB   LYS  33          1HB       LYS  33 -13.392  -0.247   3.718
  713   2HB   LYS  33          2HB       LYS  33 -14.014   0.836   4.959
  714   1HG   LYS  33          1HG       LYS  33 -14.517  -1.096   6.379
  715   2HG   LYS  33          2HG       LYS  33 -13.883  -2.169   5.132
  716   1HD   LYS  33          1HD       LYS  33 -12.209  -1.807   6.846
  717   2HD   LYS  33          2HD       LYS  33 -11.689  -1.073   5.329
  718   1HE   LYS  33          1HE       LYS  33 -11.229   0.398   7.216
  719   2HE   LYS  33          2HE       LYS  33 -12.416   1.115   6.127
  720   1HZ   LYS  33          1HZ       LYS  33 -13.594  -0.450   8.229
  721   2HZ   LYS  33          2HZ       LYS  33 -12.697   0.862   8.807
  722   3HZ   LYS  33          3HZ       LYS  33 -13.963   1.118   7.714
  723    H    GLU  34           H        GLU  34 -16.260  -0.253   1.512
  724    HA   GLU  34           HA       GLU  34 -17.284   2.387   1.352
  725   1HB   GLU  34          1HB       GLU  34 -14.858   2.907   1.403
  726   2HB   GLU  34          2HB       GLU  34 -14.632   1.907  -0.025
  727   1HG   GLU  34          1HG       GLU  34 -14.695   4.257  -0.610
  728   2HG   GLU  34          2HG       GLU  34 -16.068   3.401  -1.309
  729    H    GLY  35           H        GLY  35 -15.575   1.487  -1.476
  730   1HA   GLY  35          1HA       GLY  35 -18.024   0.929  -2.860
  731   2HA   GLY  35          2HA       GLY  35 -17.050  -0.513  -2.623
  732    H    ILE  36           H        ILE  36 -14.518   0.313  -3.033
  733    HA   ILE  36           HA       ILE  36 -14.584   1.281  -5.801
  734    HB   ILE  36           HB       ILE  36 -12.064   1.929  -4.998
  735   1HG1  ILE  36          1HG1      ILE  36 -12.325   3.233  -2.891
  736   2HG1  ILE  36          2HG1      ILE  36 -13.932   2.549  -2.692
  737   1HG2  ILE  36          1HG2      ILE  36 -14.556   3.333  -5.566
  738   2HG2  ILE  36          2HG2      ILE  36 -13.421   4.269  -4.593
  739   3HG2  ILE  36          3HG2      ILE  36 -12.921   3.628  -6.158
  740   1HD1  ILE  36          1HD1      ILE  36 -12.079   0.421  -3.029
  741   2HD1  ILE  36          2HD1      ILE  36 -11.475   1.524  -1.793
  742   3HD1  ILE  36          3HD1      ILE  36 -13.082   0.814  -1.633
  743    HA   PRO  37           HA       PRO  37 -12.981  -2.752  -6.903
  744   1HB   PRO  37          1HB       PRO  37 -11.725  -0.877  -8.881
  745   2HB   PRO  37          2HB       PRO  37 -12.414  -2.483  -9.157
  746   1HG   PRO  37          1HG       PRO  37 -13.820  -0.302  -9.732
  747   2HG   PRO  37          2HG       PRO  37 -14.604  -1.704  -8.981
  748   1HD   PRO  37          1HD       PRO  37 -13.930   0.929  -7.811
  749   2HD   PRO  37          2HD       PRO  37 -15.189  -0.225  -7.341
  750    HA   PRO  38           HA       PRO  38  -8.995  -2.832  -4.945
  751   1HB   PRO  38          1HB       PRO  38  -8.385  -5.053  -6.808
  752   2HB   PRO  38          2HB       PRO  38  -8.363  -5.028  -5.045
  753   1HG   PRO  38          1HG       PRO  38 -10.303  -6.280  -6.388
  754   2HG   PRO  38          2HG       PRO  38 -10.634  -5.414  -4.876
  755   1HD   PRO  38          1HD       PRO  38 -11.191  -4.593  -7.694
  756   2HD   PRO  38          2HD       PRO  38 -12.164  -4.340  -6.231
  757    H    ASP  39           H        ASP  39  -9.137  -3.141  -8.476
  758    HA   ASP  39           HA       ASP  39  -6.455  -2.547  -9.018
  759   1HB   ASP  39          1HB       ASP  39  -8.900  -2.034 -10.723
  760   2HB   ASP  39          2HB       ASP  39  -7.237  -2.014 -11.299
  761    H    GLN  40           H        GLN  40  -9.269  -0.458  -8.604
  762    HA   GLN  40           HA       GLN  40  -8.124   1.939  -9.461
  763   1HB   GLN  40          1HB       GLN  40 -10.258   1.434  -7.390
  764   2HB   GLN  40          2HB       GLN  40  -9.853   3.024  -8.015
  765   1HG   GLN  40          1HG       GLN  40 -10.586   2.438 -10.201
  766   2HG   GLN  40          2HG       GLN  40 -10.770   0.745  -9.744
  767   1HE2  GLN  40          2HE2      GLN  40 -11.736   2.309  -7.104
  768   2HE2  GLN  40          1HE2      GLN  40 -13.425   2.466  -7.416
  769    H    GLN  41           H        GLN  41  -8.219   0.470  -6.233
  770    HA   GLN  41           HA       GLN  41  -7.081   2.529  -4.772
  771   1HB   GLN  41          1HB       GLN  41  -6.760  -0.454  -4.401
  772   2HB   GLN  41          2HB       GLN  41  -6.360   0.758  -3.190
  773   1HG   GLN  41          1HG       GLN  41  -8.655   1.438  -3.030
  774   2HG   GLN  41          2HG       GLN  41  -9.102   0.385  -4.372
  775   1HE2  GLN  41          2HE2      GLN  41 -10.185  -1.299  -3.697
  776   2HE2  GLN  41          1HE2      GLN  41  -9.884  -2.201  -2.255
  777    H    ARG  42           H        ARG  42  -5.241   3.560  -5.071
  778    HA   ARG  42           HA       ARG  42  -3.085   2.332  -6.514
  779   1HB   ARG  42          1HB       ARG  42  -3.721   4.618  -7.068
  780   2HB   ARG  42          2HB       ARG  42  -3.364   5.122  -5.422
  781   1HG   ARG  42          1HG       ARG  42  -1.010   4.544  -5.761
  782   2HG   ARG  42          2HG       ARG  42  -1.374   4.061  -7.418
  783   1HD   ARG  42          1HD       ARG  42  -0.441   6.311  -7.347
  784   2HD   ARG  42          2HD       ARG  42  -2.105   6.333  -7.927
  785    HE   ARG  42           HE       ARG  42  -2.133   6.755  -5.164
  786   1HH1  ARG  42          1HH1      ARG  42  -1.080   8.353  -8.075
  787   2HH1  ARG  42          2HH1      ARG  42  -1.282   9.947  -7.427
  788   1HH2  ARG  42          1HH2      ARG  42  -2.403   8.849  -4.303
  789   2HH2  ARG  42          2HH2      ARG  42  -2.034  10.228  -5.283
  790    H    LEU  43           H        LEU  43  -1.366   1.386  -5.626
  791    HA   LEU  43           HA       LEU  43  -1.064   1.296  -2.788
  792   1HB   LEU  43          1HB       LEU  43   0.839   0.347  -4.929
  793   2HB   LEU  43          2HB       LEU  43   0.907  -0.077  -3.231
  794    HG   LEU  43           HG       LEU  43  -1.193  -0.895  -5.232
  795   1HD1  LEU  43          1HD1      LEU  43  -1.138  -1.274  -2.244
  796   2HD1  LEU  43          2HD1      LEU  43  -2.340  -0.391  -3.185
  797   3HD1  LEU  43          3HD1      LEU  43  -2.209  -2.143  -3.344
  798   1HD2  LEU  43          1HD2      LEU  43   1.229  -2.073  -4.245
  799   2HD2  LEU  43          2HD2      LEU  43  -0.158  -3.065  -3.793
  800   3HD2  LEU  43          3HD2      LEU  43   0.123  -2.663  -5.487
  801    H    ILE  44           H        ILE  44   0.233   2.420  -1.480
  802    HA   ILE  44           HA       ILE  44   2.385   4.046  -2.598
  803    HB   ILE  44           HB       ILE  44   0.213   5.197  -0.846
  804   1HG1  ILE  44          1HG1      ILE  44   1.012   5.866  -3.687
  805   2HG1  ILE  44          2HG1      ILE  44  -0.413   4.938  -3.227
  806   1HG2  ILE  44          1HG2      ILE  44   2.542   5.984  -0.355
  807   2HG2  ILE  44          2HG2      ILE  44   2.606   6.613  -2.001
  808   3HG2  ILE  44          3HG2      ILE  44   1.422   7.250  -0.860
  809   1HD1  ILE  44          1HD1      ILE  44  -0.328   7.460  -1.846
  810   2HD1  ILE  44          2HD1      ILE  44  -0.245   7.675  -3.594
  811   3HD1  ILE  44          3HD1      ILE  44  -1.583   6.778  -2.878
  812    H    PHE  45           H        PHE  45   4.147   4.019  -1.338
  813    HA   PHE  45           HA       PHE  45   3.842   3.154   1.461
  814   1HB   PHE  45          1HB       PHE  45   6.058   2.326  -0.429
  815   2HB   PHE  45          2HB       PHE  45   5.889   1.831   1.252
  816    HD1  PHE  45           HD1      PHE  45   4.974  -0.230   1.672
  817    HD2  PHE  45           HD2      PHE  45   3.949   1.776  -1.938
  818    HE1  PHE  45           HE1      PHE  45   3.686  -2.198   0.947
  819    HE2  PHE  45           HE2      PHE  45   2.655  -0.184  -2.666
  820    HZ   PHE  45           HZ       PHE  45   2.523  -2.174  -1.224
  821    H    ALA  46           H        ALA  46   5.319   4.019   2.955
  822    HA   ALA  46           HA       ALA  46   7.368   5.860   2.092
  823   1HB   ALA  46          1HB       ALA  46   6.420   7.806   3.287
  824   2HB   ALA  46          2HB       ALA  46   4.929   6.898   3.534
  825   3HB   ALA  46          3HB       ALA  46   5.448   7.312   1.900
  826    H    GLY  47           H        GLY  47   8.981   5.932   3.534
  827   1HA   GLY  47          1HA       GLY  47  10.215   5.424   5.402
  828   2HA   GLY  47          2HA       GLY  47   8.966   4.260   5.813
  829    H    LYS  48           H        LYS  48   8.798   4.663   7.975
  830    HA   LYS  48           HA       LYS  48   7.248   6.902   8.791
  831   1HB   LYS  48          1HB       LYS  48   8.700   4.817  10.419
  832   2HB   LYS  48          2HB       LYS  48   7.595   6.006  11.088
  833   1HG   LYS  48          1HG       LYS  48   6.883   3.887   9.072
  834   2HG   LYS  48          2HG       LYS  48   6.525   3.836  10.797
  835   1HD   LYS  48          1HD       LYS  48   5.510   5.920   8.864
  836   2HD   LYS  48          2HD       LYS  48   4.582   4.543   9.462
  837   1HE   LYS  48          1HE       LYS  48   4.815   5.385  11.750
  838   2HE   LYS  48          2HE       LYS  48   5.735   6.762  11.148
  839   1HZ   LYS  48          1HZ       LYS  48   3.373   6.683   9.699
  840   2HZ   LYS  48          2HZ       LYS  48   2.938   6.446  11.316
  841   3HZ   LYS  48          3HZ       LYS  48   3.825   7.817  10.869
  842    H    GLN  49           H        GLN  49   8.705   8.579   7.963
  843    HA   GLN  49           HA       GLN  49  11.186   9.085   9.259
  844   1HB   GLN  49          1HB       GLN  49   9.324  10.936   7.752
  845   2HB   GLN  49          2HB       GLN  49  10.940  11.371   8.283
  846   1HG   GLN  49          1HG       GLN  49  10.313   9.122   6.387
  847   2HG   GLN  49          2HG       GLN  49  10.800  10.742   5.898
  848   1HE2  GLN  49          2HE2      GLN  49  12.443  10.303   8.646
  849   2HE2  GLN  49          1HE2      GLN  49  13.899   9.608   8.033
  850    H    LEU  50           H        LEU  50  11.308   9.465  11.364
  851    HA   LEU  50           HA       LEU  50   9.244  10.107  13.075
  852   1HB   LEU  50          1HB       LEU  50  12.202  10.605  13.339
  853   2HB   LEU  50          2HB       LEU  50  11.070  10.918  14.639
  854    HG   LEU  50           HG       LEU  50  12.161   8.779  14.975
  855   1HD1  LEU  50          1HD1      LEU  50  12.561   8.398  12.502
  856   2HD1  LEU  50          2HD1      LEU  50  12.098   6.986  13.454
  857   3HD1  LEU  50          3HD1      LEU  50  10.906   7.790  12.432
  858   1HD2  LEU  50          1HD2      LEU  50   9.711   9.144  15.533
  859   2HD2  LEU  50          2HD2      LEU  50   9.352   8.182  14.098
  860   3HD2  LEU  50          3HD2      LEU  50  10.265   7.473  15.431
  861    H    GLU  51           H        GLU  51   8.057  11.744  11.943
  862    HA   GLU  51           HA       GLU  51   7.339  13.877  11.601
  863   1HB   GLU  51          1HB       GLU  51   9.267  14.489  13.849
  864   2HB   GLU  51          2HB       GLU  51   8.009  15.570  13.266
  865   1HG   GLU  51          1HG       GLU  51   6.306  13.962  13.945
  866   2HG   GLU  51          2HG       GLU  51   7.565  12.871  14.521

  No H/Q in entry =         866
  Start of MODEL   11
    1    H1   GLY  -1           H1       GLY  -1   4.229  -6.967 -16.794
    2    H2   GLY  -1           H2       GLY  -1   4.262  -5.347 -17.276
    3    H3   GLY  -1           H3       GLY  -1   5.711  -6.172 -16.984
    4   1HA   GLY  -1          1HA       GLY  -1   4.930  -4.587 -15.190
    5   2HA   GLY  -1          2HA       GLY  -1   5.411  -6.200 -14.694
    6    H    SER   0           H        SER   0   4.155  -6.624 -12.979
    7    HA   SER   0           HA       SER   0   1.425  -7.237 -13.346
    8   1HB   SER   0          1HB       SER   0   2.791  -8.382 -11.670
    9   2HB   SER   0          2HB       SER   0   2.988  -6.872 -10.780
   10    HG   SER   0           HG       SER   0   0.975  -7.000 -10.074
   11    H    MET   1           H        MET   1   2.943  -4.682 -11.373
   12    HA   MET   1           HA       MET   1   1.153  -2.671 -12.166
   13   1HB   MET   1          1HB       MET   1  -0.104  -2.407 -10.022
   14   2HB   MET   1          2HB       MET   1  -0.555  -3.827 -10.953
   15   1HG   MET   1          1HG       MET   1   0.677  -5.259  -9.492
   16   2HG   MET   1          2HG       MET   1   1.367  -3.879  -8.640
   17   1HE   MET   1          1HE       MET   1   0.045  -2.096  -7.743
   18   2HE   MET   1          2HE       MET   1  -1.710  -2.037  -7.919
   19   3HE   MET   1          3HE       MET   1  -0.995  -2.529  -6.384
   20    H    GLN   2           H        GLN   2   2.411  -0.987 -12.031
   21    HA   GLN   2           HA       GLN   2   4.648  -0.802 -10.280
   22   1HB   GLN   2          1HB       GLN   2   4.117   0.223 -12.675
   23   2HB   GLN   2          2HB       GLN   2   3.549   1.575 -11.708
   24   1HG   GLN   2          1HG       GLN   2   5.691   1.887 -10.744
   25   2HG   GLN   2          2HG       GLN   2   6.288   0.381 -11.439
   26   1HE2  GLN   2          2HE2      GLN   2   7.626   0.733 -13.046
   27   2HE2  GLN   2          1HE2      GLN   2   7.501   1.983 -14.231
   28    H    ILE   3           H        ILE   3   4.837   0.241  -8.348
   29    HA   ILE   3           HA       ILE   3   2.446   1.627  -7.325
   30    HB   ILE   3           HB       ILE   3   3.025   0.910  -5.090
   31   1HG1  ILE   3          1HG1      ILE   3   5.354  -0.543  -6.359
   32   2HG1  ILE   3          2HG1      ILE   3   5.473   0.887  -5.339
   33   1HG2  ILE   3          1HG2      ILE   3   2.977  -1.329  -7.098
   34   2HG2  ILE   3          2HG2      ILE   3   2.744  -1.548  -5.363
   35   3HG2  ILE   3          3HG2      ILE   3   1.600  -0.578  -6.291
   36   1HD1  ILE   3          1HD1      ILE   3   3.982  -1.173  -4.007
   37   2HD1  ILE   3          2HD1      ILE   3   5.552  -1.778  -4.540
   38   3HD1  ILE   3          3HD1      ILE   3   5.462  -0.351  -3.508
   39    H    PHE   4           H        PHE   4   2.677   3.493  -6.142
   40    HA   PHE   4           HA       PHE   4   5.174   4.938  -6.546
   41   1HB   PHE   4          1HB       PHE   4   2.496   5.843  -5.457
   42   2HB   PHE   4          2HB       PHE   4   3.882   6.895  -5.698
   43    HD1  PHE   4           HD1      PHE   4   3.587   8.304  -7.465
   44    HD2  PHE   4           HD2      PHE   4   2.180   4.300  -7.786
   45    HE1  PHE   4           HE1      PHE   4   2.853   8.750  -9.770
   46    HE2  PHE   4           HE2      PHE   4   1.447   4.739 -10.092
   47    HZ   PHE   4           HZ       PHE   4   1.782   6.966 -11.088
   48    H    VAL   5           H        VAL   5   6.594   5.435  -4.935
   49    HA   VAL   5           HA       VAL   5   5.764   5.072  -2.155
   50    HB   VAL   5           HB       VAL   5   8.114   3.614  -3.366
   51   1HG1  VAL   5          1HG1      VAL   5   5.792   2.648  -3.654
   52   2HG1  VAL   5          2HG1      VAL   5   6.980   1.606  -2.869
   53   3HG1  VAL   5          3HG1      VAL   5   5.765   2.444  -1.903
   54   1HG2  VAL   5          1HG2      VAL   5   7.755   4.595  -0.719
   55   2HG2  VAL   5          2HG2      VAL   5   7.654   2.834  -0.687
   56   3HG2  VAL   5          3HG2      VAL   5   9.076   3.624  -1.369
   57    H    LYS   6           H        LYS   6   6.721   6.412  -0.762
   58    HA   LYS   6           HA       LYS   6   8.548   8.414  -1.826
   59   1HB   LYS   6          1HB       LYS   6   6.574   9.180  -0.585
   60   2HB   LYS   6          2HB       LYS   6   7.095   8.267   0.824
   61   1HG   LYS   6          1HG       LYS   6   9.096   9.672   0.987
   62   2HG   LYS   6          2HG       LYS   6   8.549  10.596  -0.411
   63   1HD   LYS   6          1HD       LYS   6   7.054  10.329   2.196
   64   2HD   LYS   6          2HD       LYS   6   8.025  11.721   1.714
   65   1HE   LYS   6          1HE       LYS   6   6.551  12.083  -0.206
   66   2HE   LYS   6          2HE       LYS   6   5.581  10.693   0.277
   67   1HZ   LYS   6          1HZ       LYS   6   5.962  12.694   2.332
   68   2HZ   LYS   6          2HZ       LYS   6   5.059  13.213   1.000
   69   3HZ   LYS   6          3HZ       LYS   6   4.562  11.858   1.880
   70    H    THR   7           H        THR   7  10.643   8.613  -1.238
   71    HA   THR   7           HA       THR   7  11.910   6.431   0.081
   72    HB   THR   7           HB       THR   7  13.994   7.727  -0.179
   73    HG1  THR   7           HG1      THR   7  12.204   9.748  -1.094
   74   1HG2  THR   7          1HG2      THR   7  12.491   6.582  -2.146
   75   2HG2  THR   7          2HG2      THR   7  12.769   8.194  -2.805
   76   3HG2  THR   7          3HG2      THR   7  14.138   7.177  -2.357
   77    H    LEU   8           H        LEU   8  13.955   7.881   1.478
   78    HA   LEU   8           HA       LEU   8  12.834   7.927   4.063
   79   1HB   LEU   8          1HB       LEU   8  15.479   8.897   2.996
   80   2HB   LEU   8          2HB       LEU   8  15.076   8.893   4.700
   81    HG   LEU   8           HG       LEU   8  14.948   6.371   3.064
   82   1HD1  LEU   8          1HD1      LEU   8  13.857   6.363   5.239
   83   2HD1  LEU   8          2HD1      LEU   8  15.281   5.321   5.238
   84   3HD1  LEU   8          3HD1      LEU   8  15.352   6.910   5.999
   85   1HD2  LEU   8          1HD2      LEU   8  17.216   7.526   2.942
   86   2HD2  LEU   8          2HD2      LEU   8  17.343   7.191   4.667
   87   3HD2  LEU   8          3HD2      LEU   8  17.180   5.862   3.520
   88    H    THR   9           H        THR   9  14.361  10.648   2.308
   89    HA   THR   9           HA       THR   9  13.121  12.563   4.056
   90    HB   THR   9           HB       THR   9  15.311  13.083   3.185
   91    HG1  THR   9           HG1      THR   9  13.890  14.929   1.698
   92   1HG2  THR   9          1HG2      THR   9  15.184  11.839   1.079
   93   2HG2  THR   9          2HG2      THR   9  14.045  13.026   0.444
   94   3HG2  THR   9          3HG2      THR   9  15.703  13.503   0.806
   95    H    GLY  10           H        GLY  10  12.719  11.604   0.664
   96   1HA   GLY  10          1HA       GLY  10  10.462  13.400   0.332
   97   2HA   GLY  10          2HA       GLY  10  10.055  11.693   0.394
   98    H    LYS  11           H        LYS  11  10.141  10.553  -1.441
   99    HA   LYS  11           HA       LYS  11  10.709  11.874  -3.898
  100   1HB   LYS  11          1HB       LYS  11  13.016  11.383  -3.230
  101   2HB   LYS  11          2HB       LYS  11  12.610   9.686  -3.038
  102   1HG   LYS  11          1HG       LYS  11  12.084   9.566  -5.443
  103   2HG   LYS  11          2HG       LYS  11  12.585  11.250  -5.611
  104   1HD   LYS  11          1HD       LYS  11  14.332   8.978  -4.664
  105   2HD   LYS  11          2HD       LYS  11  14.369   9.703  -6.270
  106   1HE   LYS  11          1HE       LYS  11  14.973  11.115  -3.676
  107   2HE   LYS  11          2HE       LYS  11  16.161  10.571  -4.856
  108   1HZ   LYS  11          1HZ       LYS  11  14.380  12.104  -6.278
  109   2HZ   LYS  11          2HZ       LYS  11  14.614  12.955  -4.836
  110   3HZ   LYS  11          3HZ       LYS  11  15.941  12.549  -5.803
  111    H    THR  12           H        THR  12   9.405  11.032  -5.394
  112    HA   THR  12           HA       THR  12   7.836   8.712  -4.816
  113    HB   THR  12           HB       THR  12   8.050  10.304  -7.382
  114    HG1  THR  12           HG1      THR  12   7.064  11.027  -5.084
  115   1HG2  THR  12          1HG2      THR  12   6.400   7.981  -6.562
  116   2HG2  THR  12          2HG2      THR  12   5.590   9.264  -7.461
  117   3HG2  THR  12          3HG2      THR  12   6.987   8.446  -8.159
  118    H    ILE  13           H        ILE  13   8.104   6.644  -5.492
  119    HA   ILE  13           HA       ILE  13  10.130   6.115  -7.553
  120    HB   ILE  13           HB       ILE  13  11.299   4.531  -6.332
  121   1HG1  ILE  13          1HG1      ILE  13   8.969   4.425  -4.409
  122   2HG1  ILE  13          2HG1      ILE  13   9.413   3.191  -5.580
  123   1HG2  ILE  13          1HG2      ILE  13  11.251   6.983  -5.342
  124   2HG2  ILE  13          2HG2      ILE  13  10.602   6.137  -3.937
  125   3HG2  ILE  13          3HG2      ILE  13  12.182   5.692  -4.581
  126   1HD1  ILE  13          1HD1      ILE  13  11.664   3.676  -3.935
  127   2HD1  ILE  13          2HD1      ILE  13  10.252   3.468  -2.897
  128   3HD1  ILE  13          3HD1      ILE  13  10.682   2.217  -4.066
  129    H    THR  14           H        THR  14   9.599   4.562  -8.976
  130    HA   THR  14           HA       THR  14   6.952   3.378  -8.736
  131    HB   THR  14           HB       THR  14   7.564   2.531 -11.109
  132    HG1  THR  14           HG1      THR  14   9.142   4.586 -11.676
  133   1HG2  THR  14          1HG2      THR  14   6.491   4.970 -10.102
  134   2HG2  THR  14          2HG2      THR  14   7.401   5.321 -11.572
  135   3HG2  THR  14          3HG2      THR  14   6.102   4.128 -11.603
  136    H    LEU  15           H        LEU  15   6.525   1.178  -8.759
  137    HA   LEU  15           HA       LEU  15   8.651  -0.749  -8.953
  138   1HB   LEU  15          1HB       LEU  15   9.156  -0.204  -6.746
  139   2HB   LEU  15          2HB       LEU  15   7.478   0.045  -6.320
  140    HG   LEU  15           HG       LEU  15   7.081  -2.356  -6.336
  141   1HD1  LEU  15          1HD1      LEU  15   9.424  -1.410  -4.709
  142   2HD1  LEU  15          2HD1      LEU  15   7.723  -1.468  -4.241
  143   3HD1  LEU  15          3HD1      LEU  15   8.633  -2.965  -4.453
  144   1HD2  LEU  15          1HD2      LEU  15   9.485  -2.423  -7.846
  145   2HD2  LEU  15          2HD2      LEU  15   9.705  -3.394  -6.391
  146   3HD2  LEU  15          3HD2      LEU  15   8.365  -3.735  -7.485
  147    H    GLU  16           H        GLU  16   7.730  -2.271 -10.130
  148    HA   GLU  16           HA       GLU  16   4.890  -2.799  -9.977
  149   1HB   GLU  16          1HB       GLU  16   5.335  -4.346 -11.855
  150   2HB   GLU  16          2HB       GLU  16   5.931  -2.723 -12.166
  151   1HG   GLU  16          1HG       GLU  16   8.194  -3.495 -11.472
  152   2HG   GLU  16          2HG       GLU  16   7.548  -5.130 -11.373
  153    H    VAL  17           H        VAL  17   3.949  -4.484  -8.967
  154    HA   VAL  17           HA       VAL  17   5.502  -6.820  -8.205
  155    HB   VAL  17           HB       VAL  17   4.815  -6.715  -5.836
  156   1HG1  VAL  17          1HG1      VAL  17   7.032  -5.865  -6.650
  157   2HG1  VAL  17          2HG1      VAL  17   6.350  -4.241  -6.582
  158   3HG1  VAL  17          3HG1      VAL  17   6.490  -5.201  -5.110
  159   1HG2  VAL  17          1HG2      VAL  17   2.908  -5.073  -6.394
  160   2HG2  VAL  17          2HG2      VAL  17   3.765  -4.893  -4.863
  161   3HG2  VAL  17          3HG2      VAL  17   4.142  -3.828  -6.217
  162    H    GLU  18           H        GLU  18   4.272  -8.642  -7.899
  163    HA   GLU  18           HA       GLU  18   1.693  -8.667  -9.064
  164   1HB   GLU  18          1HB       GLU  18   3.030 -10.815  -7.413
  165   2HB   GLU  18          2HB       GLU  18   1.674 -11.039  -8.507
  166   1HG   GLU  18          1HG       GLU  18   3.087 -10.395 -10.393
  167   2HG   GLU  18          2HG       GLU  18   4.448 -10.174  -9.292
  168    HA   PRO  19           HA       PRO  19  -0.875  -7.599  -5.608
  169   1HB   PRO  19          1HB       PRO  19  -3.127  -8.962  -6.383
  170   2HB   PRO  19          2HB       PRO  19  -2.653  -7.398  -7.033
  171   1HG   PRO  19          1HG       PRO  19  -2.200 -10.139  -8.152
  172   2HG   PRO  19          2HG       PRO  19  -2.763  -8.674  -8.974
  173   1HD   PRO  19          1HD       PRO  19  -0.224  -9.455  -9.187
  174   2HD   PRO  19          2HD       PRO  19  -0.633  -7.736  -9.014
  175    H    SER  20           H        SER  20  -0.674 -10.949  -6.702
  176    HA   SER  20           HA       SER  20  -1.720 -12.151  -4.376
  177   1HB   SER  20          1HB       SER  20  -0.663 -14.219  -5.220
  178   2HB   SER  20          2HB       SER  20  -1.536 -13.370  -6.494
  179    HG   SER  20           HG       SER  20   0.384 -12.661  -7.332
  180    H    ASP  21           H        ASP  21   1.400 -10.874  -5.197
  181    HA   ASP  21           HA       ASP  21   2.999 -12.199  -3.330
  182   1HB   ASP  21          1HB       ASP  21   3.225  -9.402  -4.457
  183   2HB   ASP  21          2HB       ASP  21   4.482 -10.188  -3.508
  184    H    THR  22           H        THR  22   3.299 -12.009  -1.198
  185    HA   THR  22           HA       THR  22   1.386 -10.730   0.412
  186    HB   THR  22           HB       THR  22   2.879 -11.290   2.318
  187    HG1  THR  22           HG1      THR  22   4.602 -12.253   0.258
  188   1HG2  THR  22          1HG2      THR  22   1.282 -12.928   1.326
  189   2HG2  THR  22          2HG2      THR  22   2.608 -13.561   0.351
  190   3HG2  THR  22          3HG2      THR  22   2.675 -13.675   2.109
  191    H    ILE  23           H        ILE  23   1.481  -8.937   1.730
  192    HA   ILE  23           HA       ILE  23   2.661  -6.638   0.739
  193    HB   ILE  23           HB       ILE  23   1.881  -7.128   3.617
  194   1HG1  ILE  23          1HG1      ILE  23   0.235  -6.081   1.299
  195   2HG1  ILE  23          2HG1      ILE  23   0.057  -7.665   2.047
  196   1HG2  ILE  23          1HG2      ILE  23   2.984  -4.855   2.267
  197   2HG2  ILE  23          2HG2      ILE  23   1.352  -4.484   2.823
  198   3HG2  ILE  23          3HG2      ILE  23   2.568  -5.046   3.970
  199   1HD1  ILE  23          1HD1      ILE  23  -0.204  -5.218   3.725
  200   2HD1  ILE  23          2HD1      ILE  23  -1.541  -5.724   2.691
  201   3HD1  ILE  23          3HD1      ILE  23  -0.928  -6.812   3.936
  202    H    GLU  24           H        GLU  24   3.861  -8.893   3.173
  203    HA   GLU  24           HA       GLU  24   6.034  -7.378   4.091
  204   1HB   GLU  24          1HB       GLU  24   6.980  -9.530   4.837
  205   2HB   GLU  24          2HB       GLU  24   5.286  -9.363   5.268
  206   1HG   GLU  24          1HG       GLU  24   4.664 -10.781   3.379
  207   2HG   GLU  24          2HG       GLU  24   6.365 -10.951   2.951
  208    H    ASN  25           H        ASN  25   5.736  -9.579   1.341
  209    HA   ASN  25           HA       ASN  25   8.479  -9.575   0.650
  210   1HB   ASN  25          1HB       ASN  25   6.026 -10.162  -1.012
  211   2HB   ASN  25          2HB       ASN  25   7.675 -10.431  -1.559
  212   1HD2  ASN  25          2HD2      ASN  25   7.731 -11.000   1.662
  213   2HD2  ASN  25          1HD2      ASN  25   7.449 -12.700   1.665
  214    H    VAL  26           H        VAL  26   5.721  -7.698  -0.640
  215    HA   VAL  26           HA       VAL  26   7.210  -6.277  -2.550
  216    HB   VAL  26           HB       VAL  26   5.384  -4.600  -2.516
  217   1HG1  VAL  26          1HG1      VAL  26   5.307  -6.840  -3.733
  218   2HG1  VAL  26          2HG1      VAL  26   4.186  -7.349  -2.471
  219   3HG1  VAL  26          3HG1      VAL  26   3.785  -5.980  -3.511
  220   1HG2  VAL  26          1HG2      VAL  26   4.289  -6.280  -0.267
  221   2HG2  VAL  26          2HG2      VAL  26   4.867  -4.618  -0.146
  222   3HG2  VAL  26          3HG2      VAL  26   3.426  -4.983  -1.094
  223    H    LYS  27           H        LYS  27   6.442  -5.481   0.836
  224    HA   LYS  27           HA       LYS  27   7.628  -2.925   0.823
  225   1HB   LYS  27          1HB       LYS  27   7.292  -4.861   3.123
  226   2HB   LYS  27          2HB       LYS  27   7.741  -3.170   3.290
  227   1HG   LYS  27          1HG       LYS  27   5.564  -2.617   2.127
  228   2HG   LYS  27          2HG       LYS  27   5.128  -4.311   2.353
  229   1HD   LYS  27          1HD       LYS  27   5.827  -2.345   4.535
  230   2HD   LYS  27          2HD       LYS  27   4.209  -2.932   4.142
  231   1HE   LYS  27          1HE       LYS  27   6.508  -4.637   5.094
  232   2HE   LYS  27          2HE       LYS  27   5.166  -4.078   6.092
  233   1HZ   LYS  27          1HZ       LYS  27   4.508  -5.536   3.652
  234   2HZ   LYS  27          2HZ       LYS  27   5.164  -6.428   4.930
  235   3HZ   LYS  27          3HZ       LYS  27   3.738  -5.545   5.157
  236    H    ALA  28           H        ALA  28   8.905  -6.130   1.590
  237    HA   ALA  28           HA       ALA  28  11.472  -5.343   2.396
  238   1HB   ALA  28          1HB       ALA  28  11.706  -7.832   1.094
  239   2HB   ALA  28          2HB       ALA  28  11.552  -7.520   2.823
  240   3HB   ALA  28          3HB       ALA  28  10.110  -7.796   1.845
  241    H    LYS  29           H        LYS  29  10.016  -5.697  -0.735
  242    HA   LYS  29           HA       LYS  29  12.358  -5.821  -2.313
  243   1HB   LYS  29          1HB       LYS  29  10.005  -6.342  -3.071
  244   2HB   LYS  29          2HB       LYS  29   9.685  -4.614  -3.072
  245   1HG   LYS  29          1HG       LYS  29  10.157  -5.198  -5.300
  246   2HG   LYS  29          2HG       LYS  29  11.602  -4.383  -4.691
  247   1HD   LYS  29          1HD       LYS  29  12.642  -6.562  -4.269
  248   2HD   LYS  29          2HD       LYS  29  11.201  -7.367  -4.887
  249   1HE   LYS  29          1HE       LYS  29  12.921  -7.304  -6.594
  250   2HE   LYS  29          2HE       LYS  29  11.554  -6.300  -7.069
  251   1HZ   LYS  29          1HZ       LYS  29  12.886  -4.394  -6.081
  252   2HZ   LYS  29          2HZ       LYS  29  14.213  -5.440  -6.114
  253   3HZ   LYS  29          3HZ       LYS  29  13.427  -5.028  -7.553
  254    H    ILE  30           H        ILE  30  10.350  -3.157  -1.144
  255    HA   ILE  30           HA       ILE  30  11.630  -1.066  -2.474
  256    HB   ILE  30           HB       ILE  30  10.426  -0.950   0.293
  257   1HG1  ILE  30          1HG1      ILE  30   9.130  -0.542  -2.413
  258   2HG1  ILE  30          2HG1      ILE  30   8.864  -1.918  -1.350
  259   1HG2  ILE  30          1HG2      ILE  30  11.793   0.997  -0.327
  260   2HG2  ILE  30          2HG2      ILE  30  10.821   1.205  -1.783
  261   3HG2  ILE  30          3HG2      ILE  30  10.084   1.410  -0.195
  262   1HD1  ILE  30          1HD1      ILE  30   8.180   0.934  -0.687
  263   2HD1  ILE  30          2HD1      ILE  30   7.043  -0.287  -1.257
  264   3HD1  ILE  30          3HD1      ILE  30   7.842  -0.487   0.303
  265    H    GLN  31           H        GLN  31  12.511  -2.897   0.374
  266    HA   GLN  31           HA       GLN  31  14.507  -1.230   1.429
  267   1HB   GLN  31          1HB       GLN  31  14.463  -4.259   1.332
  268   2HB   GLN  31          2HB       GLN  31  15.453  -3.279   2.404
  269   1HG   GLN  31          1HG       GLN  31  13.445  -2.431   3.492
  270   2HG   GLN  31          2HG       GLN  31  12.449  -3.412   2.415
  271   1HE2  GLN  31          2HE2      GLN  31  14.015  -3.284   5.341
  272   2HE2  GLN  31          1HE2      GLN  31  13.953  -4.957   5.761
  273    H    ASP  32           H        ASP  32  14.570  -3.812  -0.959
  274    HA   ASP  32           HA       ASP  32  17.287  -3.644  -1.630
  275   1HB   ASP  32          1HB       ASP  32  14.952  -4.510  -3.347
  276   2HB   ASP  32          2HB       ASP  32  16.646  -4.814  -3.713
  277    H    LYS  33           H        LYS  33  14.424  -1.984  -2.690
  278    HA   LYS  33           HA       LYS  33  15.542  -0.560  -4.861
  279   1HB   LYS  33          1HB       LYS  33  13.063  -0.293  -3.196
  280   2HB   LYS  33          2HB       LYS  33  13.491   0.975  -4.339
  281   1HG   LYS  33          1HG       LYS  33  13.099  -1.928  -5.040
  282   2HG   LYS  33          2HG       LYS  33  11.897  -0.655  -5.259
  283   1HD   LYS  33          1HD       LYS  33  13.464   0.529  -6.752
  284   2HD   LYS  33          2HD       LYS  33  14.607  -0.801  -6.575
  285   1HE   LYS  33          1HE       LYS  33  11.828  -1.005  -7.722
  286   2HE   LYS  33          2HE       LYS  33  13.326  -0.986  -8.650
  287   1HZ   LYS  33          1HZ       LYS  33  13.231  -2.993  -6.578
  288   2HZ   LYS  33          2HZ       LYS  33  12.083  -3.209  -7.801
  289   3HZ   LYS  33          3HZ       LYS  33  13.727  -3.122  -8.190
  290    H    GLU  34           H        GLU  34  15.620  -0.107  -1.437
  291    HA   GLU  34           HA       GLU  34  17.365   2.180  -1.762
  292   1HB   GLU  34          1HB       GLU  34  15.137   3.215  -1.687
  293   2HB   GLU  34          2HB       GLU  34  14.808   2.403  -0.163
  294   1HG   GLU  34          1HG       GLU  34  15.405   4.724   0.195
  295   2HG   GLU  34          2HG       GLU  34  16.608   3.648   0.904
  296    H    GLY  35           H        GLY  35  15.567   1.487   1.184
  297   1HA   GLY  35          1HA       GLY  35  18.027   1.029   2.604
  298   2HA   GLY  35          2HA       GLY  35  17.067  -0.429   2.415
  299    H    ILE  36           H        ILE  36  14.601   0.076   2.953
  300    HA   ILE  36           HA       ILE  36  14.634   1.202   5.650
  301    HB   ILE  36           HB       ILE  36  12.092   1.812   4.677
  302   1HG1  ILE  36          1HG1      ILE  36  12.630   3.379   2.793
  303   2HG1  ILE  36          2HG1      ILE  36  14.232   2.655   2.714
  304   1HG2  ILE  36          1HG2      ILE  36  14.445   3.223   5.693
  305   2HG2  ILE  36          2HG2      ILE  36  13.340   4.215   4.740
  306   3HG2  ILE  36          3HG2      ILE  36  12.746   3.346   6.157
  307   1HD1  ILE  36          1HD1      ILE  36  12.846   0.434   2.476
  308   2HD1  ILE  36          2HD1      ILE  36  11.609   1.550   1.894
  309   3HD1  ILE  36          3HD1      ILE  36  13.178   1.474   1.089
  310    HA   PRO  37           HA       PRO  37  12.969  -2.846   6.628
  311   1HB   PRO  37          1HB       PRO  37  11.825  -1.062   8.753
  312   2HB   PRO  37          2HB       PRO  37  12.514  -2.682   8.909
  313   1HG   PRO  37          1HG       PRO  37  13.952  -0.537   9.544
  314   2HG   PRO  37          2HG       PRO  37  14.698  -1.910   8.707
  315   1HD   PRO  37          1HD       PRO  37  14.010   0.778   7.676
  316   2HD   PRO  37          2HD       PRO  37  15.251  -0.359   7.124
  317    HA   PRO  38           HA       PRO  38   8.927  -2.696   4.805
  318   1HB   PRO  38          1HB       PRO  38   7.865  -4.925   6.032
  319   2HB   PRO  38          2HB       PRO  38   8.909  -4.967   4.610
  320   1HG   PRO  38          1HG       PRO  38   9.605  -5.389   7.487
  321   2HG   PRO  38          2HG       PRO  38  10.172  -6.269   6.057
  322   1HD   PRO  38          1HD       PRO  38  11.698  -4.420   7.253
  323   2HD   PRO  38          2HD       PRO  38  11.693  -4.613   5.487
  324    H    ASP  39           H        ASP  39   9.207  -3.183   8.299
  325    HA   ASP  39           HA       ASP  39   6.557  -2.625   8.998
  326   1HB   ASP  39          1HB       ASP  39   9.094  -2.153  10.577
  327   2HB   ASP  39          2HB       ASP  39   7.468  -2.134  11.250
  328    H    GLN  40           H        GLN  40   9.325  -0.498   8.483
  329    HA   GLN  40           HA       GLN  40   8.146   1.862   9.448
  330   1HB   GLN  40          1HB       GLN  40  10.301   1.457   7.374
  331   2HB   GLN  40          2HB       GLN  40   9.893   3.007   8.094
  332   1HG   GLN  40          1HG       GLN  40  10.656   2.336  10.219
  333   2HG   GLN  40          2HG       GLN  40  10.742   0.643   9.734
  334   1HE2  GLN  40          2HE2      GLN  40  11.800   2.170   7.119
  335   2HE2  GLN  40          1HE2      GLN  40  13.494   2.234   7.436
  336    H    GLN  41           H        GLN  41   8.189   0.377   6.247
  337    HA   GLN  41           HA       GLN  41   7.136   2.412   4.712
  338   1HB   GLN  41          1HB       GLN  41   6.463  -0.523   4.459
  339   2HB   GLN  41          2HB       GLN  41   6.354   0.688   3.189
  340   1HG   GLN  41          1HG       GLN  41   8.876  -0.252   4.534
  341   2HG   GLN  41          2HG       GLN  41   8.330  -0.688   2.917
  342   1HE2  GLN  41          2HE2      GLN  41   9.270   0.381   1.355
  343   2HE2  GLN  41          1HE2      GLN  41   9.913   1.979   1.445
  344    H    ARG  42           H        ARG  42   5.251   3.448   4.643
  345    HA   ARG  42           HA       ARG  42   3.085   2.504   6.319
  346   1HB   ARG  42          1HB       ARG  42   3.498   5.149   4.933
  347   2HB   ARG  42          2HB       ARG  42   2.120   4.763   5.953
  348   1HG   ARG  42          1HG       ARG  42   3.590   4.479   7.866
  349   2HG   ARG  42          2HG       ARG  42   4.993   4.810   6.850
  350   1HD   ARG  42          1HD       ARG  42   4.110   7.049   6.378
  351   2HD   ARG  42          2HD       ARG  42   2.727   6.716   7.417
  352    HE   ARG  42           HE       ARG  42   5.059   6.295   8.900
  353   1HH1  ARG  42          1HH1      ARG  42   3.320   8.909   7.388
  354   2HH1  ARG  42          2HH1      ARG  42   3.884  10.103   8.509
  355   1HH2  ARG  42          1HH2      ARG  42   5.806   7.859  10.380
  356   2HH2  ARG  42          2HH2      ARG  42   5.297   9.507  10.209
  357    H    LEU  43           H        LEU  43   1.326   1.536   5.520
  358    HA   LEU  43           HA       LEU  43   1.038   1.235   2.675
  359   1HB   LEU  43          1HB       LEU  43  -0.739   0.314   4.932
  360   2HB   LEU  43          2HB       LEU  43  -0.953  -0.120   3.249
  361    HG   LEU  43           HG       LEU  43   1.346  -0.898   5.040
  362   1HD1  LEU  43          1HD1      LEU  43   2.016  -0.355   2.678
  363   2HD1  LEU  43          2HD1      LEU  43   2.338  -2.011   3.191
  364   3HD1  LEU  43          3HD1      LEU  43   0.953  -1.663   2.156
  365   1HD2  LEU  43          1HD2      LEU  43  -1.001  -2.335   3.864
  366   2HD2  LEU  43          2HD2      LEU  43   0.472  -3.203   4.294
  367   3HD2  LEU  43          3HD2      LEU  43  -0.424  -2.320   5.530
  368    H    ILE  44           H        ILE  44  -0.273   2.290   1.333
  369    HA   ILE  44           HA       ILE  44  -2.474   3.884   2.397
  370    HB   ILE  44           HB       ILE  44  -0.325   5.046   0.625
  371   1HG1  ILE  44          1HG1      ILE  44  -1.183   5.769   3.436
  372   2HG1  ILE  44          2HG1      ILE  44   0.282   4.888   3.018
  373   1HG2  ILE  44          1HG2      ILE  44  -2.870   5.662   0.327
  374   2HG2  ILE  44          2HG2      ILE  44  -2.557   6.664   1.744
  375   3HG2  ILE  44          3HG2      ILE  44  -1.618   6.901   0.270
  376   1HD1  ILE  44          1HD1      ILE  44  -0.100   7.507   1.721
  377   2HD1  ILE  44          2HD1      ILE  44   0.236   7.507   3.453
  378   3HD1  ILE  44          3HD1      ILE  44   1.364   6.740   2.336
  379    H    PHE  45           H        PHE  45  -4.225   3.793   1.136
  380    HA   PHE  45           HA       PHE  45  -3.914   2.818  -1.626
  381   1HB   PHE  45          1HB       PHE  45  -6.079   2.053   0.349
  382   2HB   PHE  45          2HB       PHE  45  -6.004   1.535  -1.333
  383    HD1  PHE  45           HD1      PHE  45  -3.846   1.525   1.718
  384    HD2  PHE  45           HD2      PHE  45  -5.181  -0.562  -1.741
  385    HE1  PHE  45           HE1      PHE  45  -2.521  -0.433   2.395
  386    HE2  PHE  45           HE2      PHE  45  -3.858  -2.525  -1.069
  387    HZ   PHE  45           HZ       PHE  45  -2.526  -2.463   1.001
  388    H    ALA  46           H        ALA  46  -5.378   3.653  -3.175
  389    HA   ALA  46           HA       ALA  46  -7.429   5.518  -2.324
  390   1HB   ALA  46          1HB       ALA  46  -5.421   6.914  -2.229
  391   2HB   ALA  46          2HB       ALA  46  -5.075   6.532  -3.916
  392   3HB   ALA  46          3HB       ALA  46  -6.523   7.448  -3.497
  393    H    GLY  47           H        GLY  47  -9.092   5.424  -3.677
  394   1HA   GLY  47          1HA       GLY  47 -10.370   4.792  -5.479
  395   2HA   GLY  47          2HA       GLY  47  -9.028   3.782  -5.990
  396    H    LYS  48           H        LYS  48 -10.947   5.767  -7.337
  397    HA   LYS  48           HA       LYS  48  -8.885   7.011  -9.000
  398   1HB   LYS  48          1HB       LYS  48 -10.573   5.567 -10.088
  399   2HB   LYS  48          2HB       LYS  48 -11.835   6.658  -9.535
  400   1HG   LYS  48          1HG       LYS  48 -11.312   7.074 -11.858
  401   2HG   LYS  48          2HG       LYS  48 -10.855   8.463 -10.869
  402   1HD   LYS  48          1HD       LYS  48  -8.527   7.708 -10.884
  403   2HD   LYS  48          2HD       LYS  48  -8.984   6.318 -11.871
  404   1HE   LYS  48          1HE       LYS  48  -9.262   9.215 -12.660
  405   2HE   LYS  48          2HE       LYS  48  -8.016   8.108 -13.229
  406   1HZ   LYS  48          1HZ       LYS  48  -9.939   6.696 -14.053
  407   2HZ   LYS  48          2HZ       LYS  48 -10.912   8.058 -13.813
  408   3HZ   LYS  48          3HZ       LYS  48  -9.620   8.125 -14.902
  409    H    GLN  49           H        GLN  49  -8.486   8.606  -7.318
  410    HA   GLN  49           HA       GLN  49 -10.460  10.570  -6.722
  411   1HB   GLN  49          1HB       GLN  49  -7.440  10.650  -6.534
  412   2HB   GLN  49          2HB       GLN  49  -8.494  11.923  -5.943
  413   1HG   GLN  49          1HG       GLN  49  -7.783  10.496  -4.130
  414   2HG   GLN  49          2HG       GLN  49  -9.521  10.352  -4.384
  415   1HE2  GLN  49          2HE2      GLN  49 -10.241   8.378  -4.209
  416   2HE2  GLN  49          1HE2      GLN  49  -9.390   6.936  -4.624
  417    H    LEU  50           H        LEU  50 -11.353  11.572  -8.398
  418    HA   LEU  50           HA       LEU  50 -10.432  12.023 -10.908
  419   1HB   LEU  50          1HB       LEU  50 -12.243  13.732  -9.220
  420   2HB   LEU  50          2HB       LEU  50 -11.931  14.086 -10.905
  421    HG   LEU  50           HG       LEU  50 -14.045  12.898 -10.624
  422   1HD1  LEU  50          1HD1      LEU  50 -13.349  11.647  -8.573
  423   2HD1  LEU  50          2HD1      LEU  50 -14.199  10.681  -9.778
  424   3HD1  LEU  50          3HD1      LEU  50 -12.447  10.551  -9.622
  425   1HD2  LEU  50          1HD2      LEU  50 -11.892  12.098 -12.318
  426   2HD2  LEU  50          2HD2      LEU  50 -12.880  10.692 -11.921
  427   3HD2  LEU  50          3HD2      LEU  50 -13.624  12.116 -12.649
  428    H    GLU  51           H        GLU  51  -8.160  12.427 -10.675
  429    HA   GLU  51           HA       GLU  51  -7.076  14.722  -9.470
  430   1HB   GLU  51          1HB       GLU  51  -5.091  14.285 -10.861
  431   2HB   GLU  51          2HB       GLU  51  -5.690  12.824 -10.094
  432   1HG   GLU  51          1HG       GLU  51  -6.774  12.172 -12.184
  433   2HG   GLU  51          2HG       GLU  51  -6.163  13.634 -12.952
  434    H1   GLY  -1           H1       GLY  -1  -4.577  -6.844  16.769
  435    H2   GLY  -1           H2       GLY  -1  -4.629  -5.228  17.265
  436    H3   GLY  -1           H3       GLY  -1  -6.067  -6.060  16.941
  437   1HA   GLY  -1          1HA       GLY  -1  -5.271  -4.454  15.174
  438   2HA   GLY  -1          2HA       GLY  -1  -5.724  -6.068  14.655
  439    H    SER   0           H        SER   0  -4.422  -6.479  12.968
  440    HA   SER   0           HA       SER   0  -1.695  -7.053  13.397
  441   1HB   SER   0          1HB       SER   0  -3.007  -8.203  11.679
  442   2HB   SER   0          2HB       SER   0  -3.186  -6.692  10.787
  443    HG   SER   0           HG       SER   0  -1.152  -6.808  10.140
  444    H    MET   1           H        MET   1  -3.198  -4.488  11.409
  445    HA   MET   1           HA       MET   1  -1.498  -2.446  12.263
  446   1HB   MET   1          1HB       MET   1  -0.078  -2.215  10.195
  447   2HB   MET   1          2HB       MET   1   0.341  -3.561  11.245
  448   1HG   MET   1          1HG       MET   1  -0.757  -5.115   9.777
  449   2HG   MET   1          2HG       MET   1  -1.355  -3.798   8.770
  450   1HE   MET   1          1HE       MET   1   0.055  -2.060   7.937
  451   2HE   MET   1          2HE       MET   1   1.811  -2.012   8.108
  452   3HE   MET   1          3HE       MET   1   1.085  -2.632   6.624
  453    H    GLN   2           H        GLN   2  -2.989  -0.899  12.053
  454    HA   GLN   2           HA       GLN   2  -4.954  -0.759  10.057
  455   1HB   GLN   2          1HB       GLN   2  -3.833   1.401  11.847
  456   2HB   GLN   2          2HB       GLN   2  -5.269   1.584  10.851
  457   1HG   GLN   2          1HG       GLN   2  -6.350  -0.230  12.086
  458   2HG   GLN   2          2HG       GLN   2  -4.916  -0.378  13.099
  459   1HE2  GLN   2          2HE2      GLN   2  -7.925   0.799  13.058
  460   2HE2  GLN   2          1HE2      GLN   2  -7.762   2.119  14.159
  461    H    ILE   3           H        ILE   3  -5.121   0.481   8.206
  462    HA   ILE   3           HA       ILE   3  -2.610   1.643   7.199
  463    HB   ILE   3           HB       ILE   3  -3.267   0.978   4.940
  464   1HG1  ILE   3          1HG1      ILE   3  -5.581  -0.428   6.281
  465   2HG1  ILE   3          2HG1      ILE   3  -5.701   0.991   5.246
  466   1HG2  ILE   3          1HG2      ILE   3  -3.199  -1.272   6.934
  467   2HG2  ILE   3          2HG2      ILE   3  -2.998  -1.474   5.193
  468   3HG2  ILE   3          3HG2      ILE   3  -1.828  -0.527   6.112
  469   1HD1  ILE   3          1HD1      ILE   3  -4.283  -1.119   3.908
  470   2HD1  ILE   3          2HD1      ILE   3  -5.854  -1.678   4.482
  471   3HD1  ILE   3          3HD1      ILE   3  -5.752  -0.267   3.429
  472    H    PHE   4           H        PHE   4  -2.727   3.568   6.085
  473    HA   PHE   4           HA       PHE   4  -5.178   5.087   6.467
  474   1HB   PHE   4          1HB       PHE   4  -2.441   5.909   5.469
  475   2HB   PHE   4          2HB       PHE   4  -3.799   7.012   5.650
  476    HD1  PHE   4           HD1      PHE   4  -3.596   8.387   7.454
  477    HD2  PHE   4           HD2      PHE   4  -2.225   4.371   7.784
  478    HE1  PHE   4           HE1      PHE   4  -2.954   8.801   9.793
  479    HE2  PHE   4           HE2      PHE   4  -1.584   4.779  10.124
  480    HZ   PHE   4           HZ       PHE   4  -1.948   6.996  11.132
  481    H    VAL   5           H        VAL   5  -6.580   5.576   4.879
  482    HA   VAL   5           HA       VAL   5  -5.756   5.222   2.090
  483    HB   VAL   5           HB       VAL   5  -8.141   3.857   3.344
  484   1HG1  VAL   5          1HG1      VAL   5  -5.886   2.794   3.633
  485   2HG1  VAL   5          2HG1      VAL   5  -7.082   1.802   2.799
  486   3HG1  VAL   5          3HG1      VAL   5  -5.821   2.622   1.879
  487   1HG2  VAL   5          1HG2      VAL   5  -7.824   4.806   0.690
  488   2HG2  VAL   5          2HG2      VAL   5  -7.737   3.045   0.657
  489   3HG2  VAL   5          3HG2      VAL   5  -9.139   3.845   1.367
  490    H    LYS   6           H        LYS   6  -6.906   6.420   0.600
  491    HA   LYS   6           HA       LYS   6  -8.614   8.516   1.737
  492   1HB   LYS   6          1HB       LYS   6  -6.629   9.289   0.520
  493   2HB   LYS   6          2HB       LYS   6  -7.149   8.406  -0.907
  494   1HG   LYS   6          1HG       LYS   6  -9.133   9.826  -1.064
  495   2HG   LYS   6          2HG       LYS   6  -8.605  10.714   0.365
  496   1HD   LYS   6          1HD       LYS   6  -7.073  10.507  -2.226
  497   2HD   LYS   6          2HD       LYS   6  -8.046  11.890  -1.723
  498   1HE   LYS   6          1HE       LYS   6  -6.600  12.197   0.227
  499   2HE   LYS   6          2HE       LYS   6  -5.629  10.814  -0.275
  500   1HZ   LYS   6          1HZ       LYS   6  -5.961  12.852  -2.295
  501   2HZ   LYS   6          2HZ       LYS   6  -5.098  13.355  -0.932
  502   3HZ   LYS   6          3HZ       LYS   6  -4.570  12.015  -1.818
  503    H    THR   7           H        THR   7 -10.725   8.660   1.203
  504    HA   THR   7           HA       THR   7 -11.974   6.519  -0.175
  505    HB   THR   7           HB       THR   7 -14.065   7.809   0.088
  506    HG1  THR   7           HG1      THR   7 -12.296   9.817   1.071
  507   1HG2  THR   7          1HG2      THR   7 -12.567   6.641   2.050
  508   2HG2  THR   7          2HG2      THR   7 -12.864   8.241   2.728
  509   3HG2  THR   7          3HG2      THR   7 -14.220   7.219   2.253
  510    H    LEU   8           H        LEU   8 -14.021   7.985  -1.583
  511    HA   LEU   8           HA       LEU   8 -12.860   8.052  -4.150
  512   1HB   LEU   8          1HB       LEU   8 -15.493   9.211  -3.239
  513   2HB   LEU   8          2HB       LEU   8 -15.032   8.919  -4.901
  514    HG   LEU   8           HG       LEU   8 -15.499   6.823  -2.777
  515   1HD1  LEU   8          1HD1      LEU   8 -17.385   8.133  -4.123
  516   2HD1  LEU   8          2HD1      LEU   8 -16.981   6.918  -5.334
  517   3HD1  LEU   8          3HD1      LEU   8 -17.516   6.418  -3.730
  518   1HD2  LEU   8          1HD2      LEU   8 -14.318   6.679  -5.504
  519   2HD2  LEU   8          2HD2      LEU   8 -13.874   5.811  -4.034
  520   3HD2  LEU   8          3HD2      LEU   8 -15.325   5.353  -4.924
  521    H    THR   9           H        THR   9 -14.408  10.765  -2.416
  522    HA   THR   9           HA       THR   9 -13.107  12.693  -4.096
  523    HB   THR   9           HB       THR   9 -15.312  13.216  -3.272
  524    HG1  THR   9           HG1      THR   9 -13.952  15.030  -1.705
  525   1HG2  THR   9          1HG2      THR   9 -15.236  11.924  -1.186
  526   2HG2  THR   9          2HG2      THR   9 -14.125  13.108  -0.496
  527   3HG2  THR   9          3HG2      THR   9 -15.775  13.579  -0.902
  528    H    GLY  10           H        GLY  10 -12.792  11.684  -0.709
  529   1HA   GLY  10          1HA       GLY  10 -10.527  13.456  -0.303
  530   2HA   GLY  10          2HA       GLY  10 -10.138  11.745  -0.368
  531    H    LYS  11           H        LYS  11 -10.255  10.611   1.463
  532    HA   LYS  11           HA       LYS  11 -10.892  11.918   3.909
  533   1HB   LYS  11          1HB       LYS  11 -13.178  11.424   3.193
  534   2HB   LYS  11          2HB       LYS  11 -12.762   9.730   2.983
  535   1HG   LYS  11          1HG       LYS  11 -12.295   9.567   5.394
  536   2HG   LYS  11          2HG       LYS  11 -12.786  11.251   5.582
  537   1HD   LYS  11          1HD       LYS  11 -14.535   9.019   4.553
  538   2HD   LYS  11          2HD       LYS  11 -14.592   9.700   6.178
  539   1HE   LYS  11          1HE       LYS  11 -15.143  11.187   3.615
  540   2HE   LYS  11          2HE       LYS  11 -16.354  10.625   4.764
  541   1HZ   LYS  11          1HZ       LYS  11 -14.573  12.101   6.246
  542   2HZ   LYS  11          2HZ       LYS  11 -14.791  12.993   4.827
  543   3HZ   LYS  11          3HZ       LYS  11 -16.127  12.568   5.773
  544    H    THR  12           H        THR  12  -9.666  11.056   5.464
  545    HA   THR  12           HA       THR  12  -8.037   8.775   4.904
  546    HB   THR  12           HB       THR  12  -8.377  10.289   7.502
  547    HG1  THR  12           HG1      THR  12  -7.241  11.009   5.206
  548   1HG2  THR  12          1HG2      THR  12  -6.668   8.022   6.672
  549   2HG2  THR  12          2HG2      THR  12  -5.877   9.306   7.588
  550   3HG2  THR  12          3HG2      THR  12  -7.268   8.463   8.271
  551    H    ILE  13           H        ILE  13  -8.268   6.703   5.544
  552    HA   ILE  13           HA       ILE  13 -10.349   6.051   7.506
  553    HB   ILE  13           HB       ILE  13 -11.577   5.629   5.573
  554   1HG1  ILE  13          1HG1      ILE  13 -10.175   3.057   6.312
  555   2HG1  ILE  13          2HG1      ILE  13 -11.672   3.685   6.991
  556   1HG2  ILE  13          1HG2      ILE  13  -9.778   5.990   3.975
  557   2HG2  ILE  13          2HG2      ILE  13  -9.136   4.384   4.328
  558   3HG2  ILE  13          3HG2      ILE  13 -10.719   4.556   3.570
  559   1HD1  ILE  13          1HD1      ILE  13 -11.395   2.968   4.092
  560   2HD1  ILE  13          2HD1      ILE  13 -11.885   1.805   5.324
  561   3HD1  ILE  13          3HD1      ILE  13 -12.872   3.234   5.019
  562    H    THR  14           H        THR  14  -9.571   4.789   9.024
  563    HA   THR  14           HA       THR  14  -7.002   3.516   8.742
  564    HB   THR  14           HB       THR  14  -8.440   2.723  11.124
  565    HG1  THR  14           HG1      THR  14  -9.330   4.560  11.679
  566   1HG2  THR  14          1HG2      THR  14  -5.883   3.934  10.325
  567   2HG2  THR  14          2HG2      THR  14  -6.461   4.403  11.926
  568   3HG2  THR  14          3HG2      THR  14  -6.225   2.697  11.538
  569    H    LEU  15           H        LEU  15  -6.580   1.293   8.772
  570    HA   LEU  15           HA       LEU  15  -8.710  -0.617   8.989
  571   1HB   LEU  15          1HB       LEU  15  -9.087   0.288   6.736
  572   2HB   LEU  15          2HB       LEU  15  -7.449  -0.113   6.285
  573    HG   LEU  15           HG       LEU  15  -9.590  -2.127   6.995
  574   1HD1  LEU  15          1HD1      LEU  15  -8.533  -1.147   4.353
  575   2HD1  LEU  15          2HD1      LEU  15  -9.455  -2.639   4.542
  576   3HD1  LEU  15          3HD1      LEU  15 -10.195  -1.089   4.943
  577   1HD2  LEU  15          1HD2      LEU  15  -6.724  -2.361   6.199
  578   2HD2  LEU  15          2HD2      LEU  15  -7.622  -3.236   7.440
  579   3HD2  LEU  15          3HD2      LEU  15  -7.878  -3.614   5.737
  580    H    GLU  16           H        GLU  16  -7.725  -2.119  10.162
  581    HA   GLU  16           HA       GLU  16  -4.900  -2.635   9.937
  582   1HB   GLU  16          1HB       GLU  16  -5.258  -4.153  11.822
  583   2HB   GLU  16          2HB       GLU  16  -5.983  -2.581  12.130
  584   1HG   GLU  16          1HG       GLU  16  -8.178  -3.496  11.503
  585   2HG   GLU  16          2HG       GLU  16  -7.435  -5.076  11.270
  586    H    VAL  17           H        VAL  17  -3.928  -4.464   9.149
  587    HA   VAL  17           HA       VAL  17  -5.467  -6.740   8.259
  588    HB   VAL  17           HB       VAL  17  -4.307  -6.473   5.913
  589   1HG1  VAL  17          1HG1      VAL  17  -3.386  -4.194   6.901
  590   2HG1  VAL  17          2HG1      VAL  17  -3.778  -4.388   5.192
  591   3HG1  VAL  17          3HG1      VAL  17  -4.924  -3.601   6.275
  592   1HG2  VAL  17          1HG2      VAL  17  -6.901  -5.728   6.962
  593   2HG2  VAL  17          2HG2      VAL  17  -6.487  -4.847   5.493
  594   3HG2  VAL  17          3HG2      VAL  17  -6.480  -6.609   5.492
  595    H    GLU  18           H        GLU  18  -4.227  -8.559   7.887
  596    HA   GLU  18           HA       GLU  18  -1.663  -8.596   9.120
  597   1HB   GLU  18          1HB       GLU  18  -3.028 -10.739   7.484
  598   2HB   GLU  18          2HB       GLU  18  -1.651 -10.976   8.550
  599   1HG   GLU  18          1HG       GLU  18  -3.018 -10.335  10.465
  600   2HG   GLU  18          2HG       GLU  18  -4.399 -10.088   9.397
  601    HA   PRO  19           HA       PRO  19   0.908  -7.479   5.675
  602   1HB   PRO  19          1HB       PRO  19   3.129  -8.922   6.470
  603   2HB   PRO  19          2HB       PRO  19   2.725  -7.301   7.032
  604   1HG   PRO  19          1HG       PRO  19   2.232  -9.929   8.345
  605   2HG   PRO  19          2HG       PRO  19   2.761  -8.400   9.064
  606   1HD   PRO  19          1HD       PRO  19   0.235  -9.212   9.288
  607   2HD   PRO  19          2HD       PRO  19   0.615  -7.499   9.028
  608    H    SER  20           H        SER  20   0.759 -10.844   6.762
  609    HA   SER  20           HA       SER  20   1.816 -12.015   4.430
  610   1HB   SER  20          1HB       SER  20   0.804 -14.108   5.265
  611   2HB   SER  20          2HB       SER  20   1.652 -13.245   6.545
  612    HG   SER  20           HG       SER  20  -0.301 -12.552   7.353
  613    H    ASP  21           H        ASP  21  -1.297 -10.751   5.219
  614    HA   ASP  21           HA       ASP  21  -2.882 -12.125   3.356
  615   1HB   ASP  21          1HB       ASP  21  -3.166  -9.337   4.494
  616   2HB   ASP  21          2HB       ASP  21  -4.402 -10.139   3.532
  617    H    THR  22           H        THR  22  -3.137 -11.969   1.220
  618    HA   THR  22           HA       THR  22  -1.265 -10.649  -0.388
  619    HB   THR  22           HB       THR  22  -2.745 -11.220  -2.293
  620    HG1  THR  22           HG1      THR  22  -4.485 -12.170  -0.242
  621   1HG2  THR  22          1HG2      THR  22  -1.159 -12.859  -1.278
  622   2HG2  THR  22          2HG2      THR  22  -2.502 -13.491  -0.323
  623   3HG2  THR  22          3HG2      THR  22  -2.542 -13.602  -2.083
  624    H    ILE  23           H        ILE  23  -1.383  -8.856  -1.713
  625    HA   ILE  23           HA       ILE  23  -2.600  -6.572  -0.708
  626    HB   ILE  23           HB       ILE  23  -1.759  -7.023  -3.576
  627   1HG1  ILE  23          1HG1      ILE  23  -0.166  -5.987  -1.218
  628   2HG1  ILE  23          2HG1      ILE  23   0.044  -7.559  -1.982
  629   1HG2  ILE  23          1HG2      ILE  23  -2.905  -4.776  -2.215
  630   2HG2  ILE  23          2HG2      ILE  23  -1.271  -4.385  -2.748
  631   3HG2  ILE  23          3HG2      ILE  23  -2.469  -4.946  -3.915
  632   1HD1  ILE  23          1HD1      ILE  23   0.299  -5.093  -3.634
  633   2HD1  ILE  23          2HD1      ILE  23   1.623  -5.576  -2.572
  634   3HD1  ILE  23          3HD1      ILE  23   1.060  -6.671  -3.834
  635    H    GLU  24           H        GLU  24  -3.729  -8.825  -3.179
  636    HA   GLU  24           HA       GLU  24  -5.893  -7.324  -4.138
  637   1HB   GLU  24          1HB       GLU  24  -6.807  -9.484  -4.908
  638   2HB   GLU  24          2HB       GLU  24  -5.108  -9.294  -5.309
  639   1HG   GLU  24          1HG       GLU  24  -4.500 -10.715  -3.421
  640   2HG   GLU  24          2HG       GLU  24  -6.203 -10.903  -3.015
  641    H    ASN  25           H        ASN  25  -5.681  -9.609  -1.438
  642    HA   ASN  25           HA       ASN  25  -8.438  -9.554  -0.793
  643   1HB   ASN  25          1HB       ASN  25  -6.036 -10.253   0.906
  644   2HB   ASN  25          2HB       ASN  25  -7.706 -10.524   1.385
  645   1HD2  ASN  25          2HD2      ASN  25  -7.665 -10.965  -1.853
  646   2HD2  ASN  25          1HD2      ASN  25  -7.394 -12.666  -1.915
  647    H    VAL  26           H        VAL  26  -5.644  -7.791   0.521
  648    HA   VAL  26           HA       VAL  26  -7.048  -6.411   2.521
  649    HB   VAL  26           HB       VAL  26  -4.558  -6.600   2.378
  650   1HG1  VAL  26          1HG1      VAL  26  -6.102  -4.624   3.478
  651   2HG1  VAL  26          2HG1      VAL  26  -4.394  -4.906   3.811
  652   3HG1  VAL  26          3HG1      VAL  26  -4.869  -3.716   2.601
  653   1HG2  VAL  26          1HG2      VAL  26  -4.917  -4.530   0.224
  654   2HG2  VAL  26          2HG2      VAL  26  -3.391  -4.816   1.060
  655   3HG2  VAL  26          3HG2      VAL  26  -4.123  -6.100   0.098
  656    H    LYS  27           H        LYS  27  -6.405  -5.566  -0.874
  657    HA   LYS  27           HA       LYS  27  -7.520  -2.960  -0.728
  658   1HB   LYS  27          1HB       LYS  27  -7.176  -4.810  -3.096
  659   2HB   LYS  27          2HB       LYS  27  -7.684  -3.132  -3.218
  660   1HG   LYS  27          1HG       LYS  27  -5.532  -2.512  -2.077
  661   2HG   LYS  27          2HG       LYS  27  -5.029  -4.190  -2.295
  662   1HD   LYS  27          1HD       LYS  27  -5.783  -2.248  -4.480
  663   2HD   LYS  27          2HD       LYS  27  -4.154  -2.800  -4.088
  664   1HE   LYS  27          1HE       LYS  27  -6.415  -4.551  -5.045
  665   2HE   LYS  27          2HE       LYS  27  -5.086  -3.962  -6.042
  666   1HZ   LYS  27          1HZ       LYS  27  -4.397  -5.413  -3.607
  667   2HZ   LYS  27          2HZ       LYS  27  -5.031  -6.314  -4.890
  668   3HZ   LYS  27          3HZ       LYS  27  -3.626  -5.398  -5.111
  669    H    ALA  28           H        ALA  28  -8.832  -6.111  -1.655
  670    HA   ALA  28           HA       ALA  28 -11.382  -5.292  -2.435
  671   1HB   ALA  28          1HB       ALA  28 -11.482  -7.462  -2.892
  672   2HB   ALA  28          2HB       ALA  28 -10.052  -7.766  -1.908
  673   3HB   ALA  28          3HB       ALA  28 -11.652  -7.797  -1.169
  674    H    LYS  29           H        LYS  29  -9.951  -5.637   0.695
  675    HA   LYS  29           HA       LYS  29 -12.294  -5.801   2.265
  676   1HB   LYS  29          1HB       LYS  29  -9.926  -6.271   3.024
  677   2HB   LYS  29          2HB       LYS  29  -9.656  -4.535   3.038
  678   1HG   LYS  29          1HG       LYS  29 -10.124  -5.137   5.258
  679   2HG   LYS  29          2HG       LYS  29 -11.593  -4.371   4.643
  680   1HD   LYS  29          1HD       LYS  29 -12.548  -6.588   4.202
  681   2HD   LYS  29          2HD       LYS  29 -11.084  -7.338   4.837
  682   1HE   LYS  29          1HE       LYS  29 -12.832  -7.338   6.521
  683   2HE   LYS  29          2HE       LYS  29 -11.505  -6.290   7.015
  684   1HZ   LYS  29          1HZ       LYS  29 -12.884  -4.426   6.016
  685   2HZ   LYS  29          2HZ       LYS  29 -14.179  -5.515   6.022
  686   3HZ   LYS  29          3HZ       LYS  29 -13.430  -5.084   7.477
  687    H    ILE  30           H        ILE  30 -10.317  -3.101   1.125
  688    HA   ILE  30           HA       ILE  30 -11.658  -1.035   2.437
  689    HB   ILE  30           HB       ILE  30 -10.398  -0.884  -0.302
  690   1HG1  ILE  30          1HG1      ILE  30  -9.155  -0.490   2.430
  691   2HG1  ILE  30          2HG1      ILE  30  -8.867  -1.860   1.368
  692   1HG2  ILE  30          1HG2      ILE  30 -11.812   1.041   0.359
  693   2HG2  ILE  30          2HG2      ILE  30 -10.799   1.258   1.787
  694   3HG2  ILE  30          3HG2      ILE  30 -10.111   1.468   0.176
  695   1HD1  ILE  30          1HD1      ILE  30  -8.179   0.995   0.727
  696   2HD1  ILE  30          2HD1      ILE  30  -7.049  -0.224   1.317
  697   3HD1  ILE  30          3HD1      ILE  30  -7.816  -0.422  -0.259
  698    H    GLN  31           H        GLN  31 -12.464  -2.884  -0.418
  699    HA   GLN  31           HA       GLN  31 -14.452  -1.241  -1.526
  700   1HB   GLN  31          1HB       GLN  31 -14.401  -4.269  -1.395
  701   2HB   GLN  31          2HB       GLN  31 -15.369  -3.302  -2.499
  702   1HG   GLN  31          1HG       GLN  31 -13.330  -2.457  -3.543
  703   2HG   GLN  31          2HG       GLN  31 -12.366  -3.446  -2.444
  704   1HE2  GLN  31          2HE2      GLN  31 -13.856  -3.301  -5.405
  705   2HE2  GLN  31          1HE2      GLN  31 -13.803  -4.976  -5.825
  706    H    ASP  32           H        ASP  32 -14.549  -3.812   0.873
  707    HA   ASP  32           HA       ASP  32 -17.277  -3.643   1.502
  708   1HB   ASP  32          1HB       ASP  32 -14.972  -4.500   3.263
  709   2HB   ASP  32          2HB       ASP  32 -16.670  -4.821   3.586
  710    H    LYS  33           H        LYS  33 -14.426  -1.992   2.618
  711    HA   LYS  33           HA       LYS  33 -15.571  -0.572   4.772
  712   1HB   LYS  33          1HB       LYS  33 -13.082  -0.283   3.125
  713   2HB   LYS  33          2HB       LYS  33 -13.526   0.978   4.270
  714   1HG   LYS  33          1HG       LYS  33 -13.117  -1.926   4.959
  715   2HG   LYS  33          2HG       LYS  33 -11.929  -0.641   5.198
  716   1HD   LYS  33          1HD       LYS  33 -13.518   0.516   6.687
  717   2HD   LYS  33          2HD       LYS  33 -14.654  -0.817   6.483
  718   1HE   LYS  33          1HE       LYS  33 -11.887  -1.022   7.661
  719   2HE   LYS  33          2HE       LYS  33 -13.397  -1.015   8.572
  720   1HZ   LYS  33          1HZ       LYS  33 -13.266  -3.004   6.484
  721   2HZ   LYS  33          2HZ       LYS  33 -12.137  -3.227   7.723
  722   3HZ   LYS  33          3HZ       LYS  33 -13.788  -3.147   8.087
  723    H    GLU  34           H        GLU  34 -15.599  -0.100   1.345
  724    HA   GLU  34           HA       GLU  34 -17.376   2.168   1.662
  725   1HB   GLU  34          1HB       GLU  34 -15.172   3.239   1.595
  726   2HB   GLU  34          2HB       GLU  34 -14.805   2.409   0.089
  727   1HG   GLU  34          1HG       GLU  34 -15.415   4.681  -0.376
  728   2HG   GLU  34          2HG       GLU  34 -16.663   3.602  -0.995
  729    H    GLY  35           H        GLY  35 -15.528   1.398  -1.250
  730   1HA   GLY  35          1HA       GLY  35 -17.984   0.963  -2.696
  731   2HA   GLY  35          2HA       GLY  35 -17.038  -0.498  -2.479
  732    H    ILE  36           H        ILE  36 -14.521   0.088  -2.958
  733    HA   ILE  36           HA       ILE  36 -14.572   1.150  -5.693
  734    HB   ILE  36           HB       ILE  36 -12.017   1.733  -4.810
  735   1HG1  ILE  36          1HG1      ILE  36 -12.417   3.249  -2.861
  736   2HG1  ILE  36          2HG1      ILE  36 -14.042   2.586  -2.726
  737   1HG2  ILE  36          1HG2      ILE  36 -14.377   3.151  -5.738
  738   2HG2  ILE  36          2HG2      ILE  36 -13.313   4.142  -4.740
  739   3HG2  ILE  36          3HG2      ILE  36 -12.680   3.344  -6.180
  740   1HD1  ILE  36          1HD1      ILE  36 -12.656   0.313  -2.639
  741   2HD1  ILE  36          2HD1      ILE  36 -11.445   1.412  -1.977
  742   3HD1  ILE  36          3HD1      ILE  36 -13.026   1.273  -1.205
  743    HA   PRO  37           HA       PRO  37 -12.829  -2.800  -6.792
  744   1HB   PRO  37          1HB       PRO  37 -11.578  -0.950  -8.791
  745   2HB   PRO  37          2HB       PRO  37 -12.299  -2.544  -9.049
  746   1HG   PRO  37          1HG       PRO  37 -13.669  -0.369  -9.667
  747   2HG   PRO  37          2HG       PRO  37 -14.477  -1.721  -8.851
  748   1HD   PRO  37          1HD       PRO  37 -13.626   0.915  -7.760
  749   2HD   PRO  37          2HD       PRO  37 -15.009  -0.099  -7.311
  750    HA   PRO  38           HA       PRO  38  -8.849  -2.683  -4.814
  751   1HB   PRO  38          1HB       PRO  38  -7.748  -4.896  -6.033
  752   2HB   PRO  38          2HB       PRO  38  -8.840  -4.958  -4.649
  753   1HG   PRO  38          1HG       PRO  38  -9.436  -5.342  -7.553
  754   2HG   PRO  38          2HG       PRO  38 -10.053  -6.239  -6.155
  755   1HD   PRO  38          1HD       PRO  38 -11.533  -4.370  -7.383
  756   2HD   PRO  38          2HD       PRO  38 -11.598  -4.593  -5.623
  757    H    ASP  39           H        ASP  39  -9.055  -3.104  -8.317
  758    HA   ASP  39           HA       ASP  39  -6.381  -2.519  -8.933
  759   1HB   ASP  39          1HB       ASP  39  -8.860  -2.072 -10.608
  760   2HB   ASP  39          2HB       ASP  39  -7.208  -2.066 -11.213
  761    H    GLN  40           H        GLN  40  -9.204  -0.450  -8.487
  762    HA   GLN  40           HA       GLN  40  -8.038   1.928  -9.425
  763   1HB   GLN  40          1HB       GLN  40 -10.268   1.485  -7.439
  764   2HB   GLN  40          2HB       GLN  40  -9.843   3.052  -8.112
  765   1HG   GLN  40          1HG       GLN  40 -10.366   2.260 -10.345
  766   2HG   GLN  40          2HG       GLN  40 -10.733   0.659  -9.707
  767   1HE2  GLN  40          2HE2      GLN  40 -11.812   2.575  -7.362
  768   2HE2  GLN  40          1HE2      GLN  40 -13.435   2.835  -7.883
  769    H    GLN  41           H        GLN  41  -8.047   0.383  -6.269
  770    HA   GLN  41           HA       GLN  41  -7.085   2.444  -4.684
  771   1HB   GLN  41          1HB       GLN  41  -6.326  -0.473  -4.464
  772   2HB   GLN  41          2HB       GLN  41  -6.277   0.722  -3.175
  773   1HG   GLN  41          1HG       GLN  41  -8.748  -0.273  -4.573
  774   2HG   GLN  41          2HG       GLN  41  -8.207  -0.734  -2.962
  775   1HE2  GLN  41          2HE2      GLN  41  -9.149   0.279  -1.368
  776   2HE2  GLN  41          1HE2      GLN  41  -9.864   1.851  -1.431
  777    H    ARG  42           H        ARG  42  -5.196   3.490  -4.523
  778    HA   ARG  42           HA       ARG  42  -3.004   2.619  -6.218
  779   1HB   ARG  42          1HB       ARG  42  -3.469   5.247  -4.813
  780   2HB   ARG  42          2HB       ARG  42  -2.091   4.891  -5.846
  781   1HG   ARG  42          1HG       ARG  42  -3.589   4.578  -7.747
  782   2HG   ARG  42          2HG       ARG  42  -4.974   4.926  -6.712
  783   1HD   ARG  42          1HD       ARG  42  -4.085   7.161  -6.274
  784   2HD   ARG  42          2HD       ARG  42  -2.700   6.815  -7.305
  785    HE   ARG  42           HE       ARG  42  -5.025   6.393  -8.797
  786   1HH1  ARG  42          1HH1      ARG  42  -3.287   9.011  -7.290
  787   2HH1  ARG  42          2HH1      ARG  42  -3.840  10.200  -8.422
  788   1HH2  ARG  42          1HH2      ARG  42  -5.757   7.953 -10.292
  789   2HH2  ARG  42          2HH2      ARG  42  -5.244   9.598 -10.127
  790    H    LEU  43           H        LEU  43  -1.236   1.677  -5.403
  791    HA   LEU  43           HA       LEU  43  -0.971   1.387  -2.551
  792   1HB   LEU  43          1HB       LEU  43   0.828   0.454  -4.785
  793   2HB   LEU  43          2HB       LEU  43   1.024   0.032  -3.097
  794    HG   LEU  43           HG       LEU  43  -1.228  -0.779  -4.930
  795   1HD1  LEU  43          1HD1      LEU  43  -2.022  -0.183  -2.636
  796   2HD1  LEU  43          2HD1      LEU  43  -2.268  -1.873  -3.078
  797   3HD1  LEU  43          3HD1      LEU  43  -0.943  -1.426  -2.002
  798   1HD2  LEU  43          1HD2      LEU  43   1.071  -2.184  -3.629
  799   2HD2  LEU  43          2HD2      LEU  43  -0.389  -3.064  -4.081
  800   3HD2  LEU  43          3HD2      LEU  43   0.550  -2.221  -5.313
  801    H    ILE  44           H        ILE  44   0.344   2.435  -1.211
  802    HA   ILE  44           HA       ILE  44   2.538   4.043  -2.269
  803    HB   ILE  44           HB       ILE  44   0.388   5.186  -0.483
  804   1HG1  ILE  44          1HG1      ILE  44   1.213   5.930  -3.299
  805   2HG1  ILE  44          2HG1      ILE  44  -0.234   5.022  -2.875
  806   1HG2  ILE  44          1HG2      ILE  44   2.925   5.824  -0.198
  807   2HG2  ILE  44          2HG2      ILE  44   2.606   6.814  -1.622
  808   3HG2  ILE  44          3HG2      ILE  44   1.667   7.059  -0.149
  809   1HD1  ILE  44          1HD1      ILE  44   0.061   7.602  -1.516
  810   2HD1  ILE  44          2HD1      ILE  44  -0.168   7.679  -3.264
  811   3HD1  ILE  44          3HD1      ILE  44  -1.355   6.853  -2.253
  812    H    PHE  45           H        PHE  45   4.295   3.924  -1.011
  813    HA   PHE  45           HA       PHE  45   3.967   2.939   1.748
  814   1HB   PHE  45          1HB       PHE  45   6.151   2.195  -0.214
  815   2HB   PHE  45          2HB       PHE  45   6.071   1.673   1.465
  816    HD1  PHE  45           HD1      PHE  45   3.925   1.656  -1.593
  817    HD2  PHE  45           HD2      PHE  45   5.260  -0.427   1.868
  818    HE1  PHE  45           HE1      PHE  45   2.608  -0.308  -2.273
  819    HE2  PHE  45           HE2      PHE  45   3.947  -2.396   1.193
  820    HZ   PHE  45           HZ       PHE  45   2.620  -2.338  -0.879
  821    H    ALA  46           H        ALA  46   5.325   3.820   3.324
  822    HA   ALA  46           HA       ALA  46   7.411   5.677   2.520
  823   1HB   ALA  46          1HB       ALA  46   6.482   7.588   3.703
  824   2HB   ALA  46          2HB       ALA  46   5.034   6.661   4.095
  825   3HB   ALA  46          3HB       ALA  46   5.397   7.064   2.417
  826    H    GLY  47           H        GLY  47   9.048   5.629   3.919
  827   1HA   GLY  47          1HA       GLY  47  10.302   4.978   5.732
  828   2HA   GLY  47          2HA       GLY  47   8.969   3.929   6.193
  829    H    LYS  48           H        LYS  48  10.813   5.924   7.622
  830    HA   LYS  48           HA       LYS  48   8.680   7.115   9.240
  831   1HB   LYS  48          1HB       LYS  48  10.300   5.661  10.388
  832   2HB   LYS  48          2HB       LYS  48  11.609   6.713   9.870
  833   1HG   LYS  48          1HG       LYS  48  11.046   7.152  12.174
  834   2HG   LYS  48          2HG       LYS  48  10.639   8.549  11.176
  835   1HD   LYS  48          1HD       LYS  48   8.295   7.842  11.145
  836   2HD   LYS  48          2HD       LYS  48   8.703   6.449  12.149
  837   1HE   LYS  48          1HE       LYS  48   9.011   9.346  12.923
  838   2HE   LYS  48          2HE       LYS  48   7.753   8.251  13.490
  839   1HZ   LYS  48          1HZ       LYS  48   9.674   6.832  14.327
  840   2HZ   LYS  48          2HZ       LYS  48  10.641   8.203  14.107
  841   3HZ   LYS  48          3HZ       LYS  48   9.333   8.254  15.178
  842    H    GLN  49           H        GLN  49   8.355   8.757   7.577
  843    HA   GLN  49           HA       GLN  49  10.357  10.714   7.082
  844   1HB   GLN  49          1HB       GLN  49   7.343  10.842   6.831
  845   2HB   GLN  49          2HB       GLN  49   8.433  12.104   6.279
  846   1HG   GLN  49          1HG       GLN  49   7.733  10.718   4.432
  847   2HG   GLN  49          2HG       GLN  49   9.462  10.534   4.719
  848   1HE2  GLN  49          2HE2      GLN  49  10.138   8.547   4.517
  849   2HE2  GLN  49          1HE2      GLN  49   9.249   7.116   4.895
  850    H    LEU  50           H        LEU  50  11.181  11.934   8.632
  851    HA   LEU  50           HA       LEU  50  10.233  12.270  11.190
  852   1HB   LEU  50          1HB       LEU  50  12.008  14.056   9.542
  853   2HB   LEU  50          2HB       LEU  50  11.679  14.359  11.234
  854    HG   LEU  50           HG       LEU  50  13.822  13.249  10.979
  855   1HD1  LEU  50          1HD1      LEU  50  13.228  12.090   8.836
  856   2HD1  LEU  50          2HD1      LEU  50  14.100  11.100  10.007
  857   3HD1  LEU  50          3HD1      LEU  50  12.360  10.898   9.803
  858   1HD2  LEU  50          1HD2      LEU  50  11.658  12.278  12.560
  859   2HD2  LEU  50          2HD2      LEU  50  12.693  10.924  12.104
  860   3HD2  LEU  50          3HD2      LEU  50  13.380  12.319  12.938
  861    H    GLU  51           H        GLU  51   7.955  12.607  10.927
  862    HA   GLU  51           HA       GLU  51   6.816  14.861   9.700
  863   1HB   GLU  51          1HB       GLU  51   4.832  14.374  11.079
  864   2HB   GLU  51          2HB       GLU  51   5.481  12.929  10.320
  865   1HG   GLU  51          1HG       GLU  51   6.565  12.309  12.418
  866   2HG   GLU  51          2HG       GLU  51   5.913  13.757  13.180

  No H/Q in entry =         866
  Start of MODEL   12
    1    H1   GLY  -1           H1       GLY  -1   4.095  -8.285 -15.349
    2    H2   GLY  -1           H2       GLY  -1   2.664  -8.837 -16.064
    3    H3   GLY  -1           H3       GLY  -1   3.910  -8.226 -17.030
    4   1HA   GLY  -1          1HA       GLY  -1   1.969  -6.689 -16.650
    5   2HA   GLY  -1          2HA       GLY  -1   3.570  -6.036 -16.338
    6    H    SER   0           H        SER   0   4.170  -7.082 -13.889
    7    HA   SER   0           HA       SER   0   2.170  -6.976 -11.945
    8   1HB   SER   0          1HB       SER   0   5.103  -6.277 -11.676
    9   2HB   SER   0          2HB       SER   0   4.010  -6.611 -10.336
   10    HG   SER   0           HG       SER   0   5.158  -8.475 -10.869
   11    H    MET   1           H        MET   1   1.321  -5.360 -10.691
   12    HA   MET   1           HA       MET   1   1.286  -2.739 -11.804
   13   1HB   MET   1          1HB       MET   1  -0.132  -2.214  -9.794
   14   2HB   MET   1          2HB       MET   1  -0.720  -3.536 -10.789
   15   1HG   MET   1          1HG       MET   1   0.149  -5.154  -9.219
   16   2HG   MET   1          2HG       MET   1   0.848  -3.864  -8.242
   17   1HE   MET   1          1HE       MET   1  -0.597  -1.801  -7.895
   18   2HE   MET   1          2HE       MET   1  -2.338  -1.794  -7.615
   19   3HE   MET   1          3HE       MET   1  -1.241  -2.295  -6.328
   20    H    GLN   2           H        GLN   2   2.805  -1.258 -11.526
   21    HA   GLN   2           HA       GLN   2   4.804  -1.474  -9.520
   22   1HB   GLN   2          1HB       GLN   2   5.626   0.657 -10.425
   23   2HB   GLN   2          2HB       GLN   2   5.306  -0.515 -11.694
   24   1HG   GLN   2          1HG       GLN   2   3.128   0.597 -12.092
   25   2HG   GLN   2          2HG       GLN   2   3.590   1.829 -10.923
   26   1HE2  GLN   2          2HE2      GLN   2   6.350   0.855 -12.439
   27   2HE2  GLN   2          1HE2      GLN   2   6.429   2.052 -13.681
   28    H    ILE   3           H        ILE   3   4.734  -0.824  -7.513
   29    HA   ILE   3           HA       ILE   3   2.528   0.766  -6.541
   30    HB   ILE   3           HB       ILE   3   3.421   0.281  -4.308
   31   1HG1  ILE   3          1HG1      ILE   3   5.587  -1.239  -5.772
   32   2HG1  ILE   3          2HG1      ILE   3   5.820   0.275  -4.905
   33   1HG2  ILE   3          1HG2      ILE   3   2.021  -1.348  -5.781
   34   2HG2  ILE   3          2HG2      ILE   3   3.492  -2.321  -5.760
   35   3HG2  ILE   3          3HG2      ILE   3   2.692  -1.898  -4.246
   36   1HD1  ILE   3          1HD1      ILE   3   4.571  -1.551  -3.138
   37   2HD1  ILE   3          2HD1      ILE   3   5.931  -2.370  -3.909
   38   3HD1  ILE   3          3HD1      ILE   3   6.190  -0.854  -3.045
   39    H    PHE   4           H        PHE   4   2.666   2.747  -5.540
   40    HA   PHE   4           HA       PHE   4   4.998   4.338  -6.247
   41   1HB   PHE   4          1HB       PHE   4   2.320   5.109  -5.067
   42   2HB   PHE   4          2HB       PHE   4   3.604   6.254  -5.431
   43    HD1  PHE   4           HD1      PHE   4   3.130   7.513  -7.272
   44    HD2  PHE   4           HD2      PHE   4   2.050   3.397  -7.279
   45    HE1  PHE   4           HE1      PHE   4   2.283   7.743  -9.571
   46    HE2  PHE   4           HE2      PHE   4   1.203   3.620  -9.578
   47    HZ   PHE   4           HZ       PHE   4   1.319   5.794 -10.727
   48    H    VAL   5           H        VAL   5   6.461   5.124  -4.816
   49    HA   VAL   5           HA       VAL   5   5.914   4.979  -1.954
   50    HB   VAL   5           HB       VAL   5   8.309   3.593  -3.176
   51   1HG1  VAL   5          1HG1      VAL   5   7.910   4.699  -0.599
   52   2HG1  VAL   5          2HG1      VAL   5   7.895   2.943  -0.441
   53   3HG1  VAL   5          3HG1      VAL   5   9.274   3.750  -1.187
   54   1HG2  VAL   5          1HG2      VAL   5   6.264   2.302  -3.496
   55   2HG2  VAL   5          2HG2      VAL   5   7.327   1.525  -2.322
   56   3HG2  VAL   5          3HG2      VAL   5   5.911   2.422  -1.771
   57    H    LYS   6           H        LYS   6   6.821   6.627  -0.875
   58    HA   LYS   6           HA       LYS   6   8.611   8.400  -2.364
   59   1HB   LYS   6          1HB       LYS   6   6.997   8.840   0.151
   60   2HB   LYS   6          2HB       LYS   6   8.089  10.033  -0.537
   61   1HG   LYS   6          1HG       LYS   6   6.750  10.062  -2.589
   62   2HG   LYS   6          2HG       LYS   6   5.640   8.894  -1.865
   63   1HD   LYS   6          1HD       LYS   6   5.074  10.472  -0.115
   64   2HD   LYS   6          2HD       LYS   6   6.248  11.628  -0.746
   65   1HE   LYS   6          1HE       LYS   6   4.984  11.788  -2.826
   66   2HE   LYS   6          2HE       LYS   6   3.816  10.616  -2.213
   67   1HZ   LYS   6          1HZ       LYS   6   4.056  12.660  -0.326
   68   2HZ   LYS   6          2HZ       LYS   6   3.852  13.392  -1.839
   69   3HZ   LYS   6          3HZ       LYS   6   2.714  12.273  -1.280
   70    H    THR   7           H        THR   7  10.706   8.531  -1.902
   71    HA   THR   7           HA       THR   7  11.898   6.864   0.051
   72    HB   THR   7           HB       THR   7  13.117   9.162  -1.499
   73    HG1  THR   7           HG1      THR   7  13.488   6.410  -2.032
   74   1HG2  THR   7          1HG2      THR   7  14.187   7.333   0.523
   75   2HG2  THR   7          2HG2      THR   7  15.129   7.392  -0.967
   76   3HG2  THR   7          3HG2      THR   7  14.818   8.872  -0.059
   77    H    LEU   8           H        LEU   8  13.051   7.443   1.913
   78    HA   LEU   8           HA       LEU   8  11.845   9.044   3.755
   79   1HB   LEU   8          1HB       LEU   8  14.749   8.305   3.470
   80   2HB   LEU   8          2HB       LEU   8  14.131   9.162   4.865
   81    HG   LEU   8           HG       LEU   8  12.822   7.292   5.552
   82   1HD1  LEU   8          1HD1      LEU   8  13.471   6.149   2.854
   83   2HD1  LEU   8          2HD1      LEU   8  12.921   5.149   4.201
   84   3HD1  LEU   8          3HD1      LEU   8  11.888   6.435   3.576
   85   1HD2  LEU   8          1HD2      LEU   8  15.620   7.183   5.190
   86   2HD2  LEU   8          2HD2      LEU   8  14.643   6.397   6.430
   87   3HD2  LEU   8          3HD2      LEU   8  14.980   5.563   4.914
   88    H    THR   9           H        THR   9  14.488   9.958   1.575
   89    HA   THR   9           HA       THR   9  14.626  12.650   2.538
   90    HB   THR   9           HB       THR   9  16.132  13.050   0.631
   91    HG1  THR   9           HG1      THR   9  16.584  10.793  -0.447
   92   1HG2  THR   9          1HG2      THR   9  16.620  11.505   2.828
   93   2HG2  THR   9          2HG2      THR   9  17.143  10.443   1.521
   94   3HG2  THR   9          3HG2      THR   9  17.849  12.050   1.687
   95    H    GLY  10           H        GLY  10  13.271  11.108  -0.376
   96   1HA   GLY  10          1HA       GLY  10  12.227  13.641  -1.326
   97   2HA   GLY  10          2HA       GLY  10  11.011  12.543  -0.691
   98    H    LYS  11           H        LYS  11  13.871  11.435  -2.372
   99    HA   LYS  11           HA       LYS  11  13.162  11.389  -4.990
  100   1HB   LYS  11          1HB       LYS  11  15.294  10.533  -4.157
  101   2HB   LYS  11          2HB       LYS  11  14.480   9.139  -3.460
  102   1HG   LYS  11          1HG       LYS  11  13.803   8.437  -5.724
  103   2HG   LYS  11          2HG       LYS  11  14.707   9.799  -6.389
  104   1HD   LYS  11          1HD       LYS  11  15.876   7.562  -4.736
  105   2HD   LYS  11          2HD       LYS  11  15.988   7.704  -6.491
  106   1HE   LYS  11          1HE       LYS  11  17.100   9.660  -4.482
  107   2HE   LYS  11          2HE       LYS  11  18.034   8.477  -5.397
  108   1HZ   LYS  11          1HZ       LYS  11  16.942   9.677  -7.415
  109   2HZ   LYS  11          2HZ       LYS  11  16.762  10.956  -6.322
  110   3HZ   LYS  11          3HZ       LYS  11  18.303  10.346  -6.662
  111    H    THR  12           H        THR  12  11.695  10.439  -6.259
  112    HA   THR  12           HA       THR  12   9.545   8.956  -5.093
  113    HB   THR  12           HB       THR  12  10.138   9.485  -8.011
  114    HG1  THR  12           HG1      THR  12   8.133  10.843  -6.614
  115   1HG2  THR  12          1HG2      THR  12   7.624   8.561  -6.616
  116   2HG2  THR  12          2HG2      THR  12   7.706   9.074  -8.302
  117   3HG2  THR  12          3HG2      THR  12   8.590   7.644  -7.771
  118    H    ILE  13           H        ILE  13   9.033   6.798  -5.303
  119    HA   ILE  13           HA       ILE  13  11.019   5.101  -6.667
  120    HB   ILE  13           HB       ILE  13   9.665   3.973  -4.281
  121   1HG1  ILE  13          1HG1      ILE  13  12.025   5.855  -4.058
  122   2HG1  ILE  13          2HG1      ILE  13  10.400   6.186  -3.468
  123   1HG2  ILE  13          1HG2      ILE  13  12.385   3.742  -5.541
  124   2HG2  ILE  13          2HG2      ILE  13  11.933   2.932  -4.041
  125   3HG2  ILE  13          3HG2      ILE  13  11.087   2.547  -5.541
  126   1HD1  ILE  13          1HD1      ILE  13  12.082   3.885  -2.516
  127   2HD1  ILE  13          2HD1      ILE  13  12.015   5.459  -1.721
  128   3HD1  ILE  13          3HD1      ILE  13  10.562   4.464  -1.833
  129    H    THR  14           H        THR  14  10.237   3.411  -7.820
  130    HA   THR  14           HA       THR  14   7.362   2.806  -7.674
  131    HB   THR  14           HB       THR  14   8.821   2.993 -10.311
  132    HG1  THR  14           HG1      THR  14   8.163   5.032  -8.785
  133   1HG2  THR  14          1HG2      THR  14   6.528   1.731  -9.736
  134   2HG2  THR  14          2HG2      THR  14   5.898   3.353 -10.022
  135   3HG2  THR  14          3HG2      THR  14   6.819   2.530 -11.281
  136    H    LEU  15           H        LEU  15   6.854   0.639  -8.014
  137    HA   LEU  15           HA       LEU  15   8.934  -1.205  -8.859
  138   1HB   LEU  15          1HB       LEU  15   9.537  -0.872  -6.573
  139   2HB   LEU  15          2HB       LEU  15   7.880  -1.058  -6.044
  140    HG   LEU  15           HG       LEU  15   8.209  -3.476  -7.106
  141   1HD1  LEU  15          1HD1      LEU  15   7.699  -2.694  -4.710
  142   2HD1  LEU  15          2HD1      LEU  15   8.452  -4.276  -4.925
  143   3HD1  LEU  15          3HD1      LEU  15   9.429  -2.895  -4.428
  144   1HD2  LEU  15          1HD2      LEU  15  10.518  -2.877  -7.845
  145   2HD2  LEU  15          2HD2      LEU  15  10.968  -2.751  -6.146
  146   3HD2  LEU  15          3HD2      LEU  15  10.435  -4.297  -6.801
  147    H    GLU  16           H        GLU  16   7.866  -2.539 -10.208
  148    HA   GLU  16           HA       GLU  16   5.057  -3.005 -10.022
  149   1HB   GLU  16          1HB       GLU  16   5.381  -4.538 -11.903
  150   2HB   GLU  16          2HB       GLU  16   6.206  -3.013 -12.184
  151   1HG   GLU  16          1HG       GLU  16   8.329  -4.037 -11.555
  152   2HG   GLU  16          2HG       GLU  16   7.504  -5.567 -11.263
  153    H    VAL  17           H        VAL  17   3.977  -4.569  -9.006
  154    HA   VAL  17           HA       VAL  17   5.262  -7.056  -8.247
  155    HB   VAL  17           HB       VAL  17   4.539  -6.849  -5.861
  156   1HG1  VAL  17          1HG1      VAL  17   6.885  -6.477  -6.619
  157   2HG1  VAL  17          2HG1      VAL  17   6.541  -4.748  -6.657
  158   3HG1  VAL  17          3HG1      VAL  17   6.460  -5.631  -5.132
  159   1HG2  VAL  17          1HG2      VAL  17   3.113  -4.715  -6.649
  160   2HG2  VAL  17          2HG2      VAL  17   3.623  -4.987  -4.983
  161   3HG2  VAL  17          3HG2      VAL  17   4.551  -3.911  -6.026
  162    H    GLU  18           H        GLU  18   3.836  -8.720  -8.087
  163    HA   GLU  18           HA       GLU  18   1.222  -8.342  -9.119
  164   1HB   GLU  18          1HB       GLU  18   2.380 -10.787  -7.771
  165   2HB   GLU  18          2HB       GLU  18   0.950 -10.743  -8.792
  166   1HG   GLU  18          1HG       GLU  18   2.325 -10.071 -10.694
  167   2HG   GLU  18          2HG       GLU  18   3.758 -10.113  -9.670
  168    HA   PRO  19           HA       PRO  19  -1.197  -7.337  -5.559
  169   1HB   PRO  19          1HB       PRO  19  -3.408  -8.913  -6.217
  170   2HB   PRO  19          2HB       PRO  19  -3.141  -7.248  -6.722
  171   1HG   PRO  19          1HG       PRO  19  -2.652  -9.777  -8.210
  172   2HG   PRO  19          2HG       PRO  19  -3.220  -8.212  -8.813
  173   1HD   PRO  19          1HD       PRO  19  -0.703  -9.021  -9.213
  174   2HD   PRO  19          2HD       PRO  19  -1.078  -7.319  -8.877
  175    H    SER  20           H        SER  20  -0.995 -10.691  -6.605
  176    HA   SER  20           HA       SER  20  -1.909 -11.884  -4.232
  177   1HB   SER  20          1HB       SER  20  -1.812 -13.072  -6.364
  178   2HB   SER  20          2HB       SER  20  -0.054 -12.973  -6.357
  179    HG   SER  20           HG       SER  20  -1.692 -14.366  -4.506
  180    H    ASP  21           H        ASP  21   1.239 -10.714  -5.225
  181    HA   ASP  21           HA       ASP  21   2.857 -12.013  -3.373
  182   1HB   ASP  21          1HB       ASP  21   3.089  -9.266  -4.607
  183   2HB   ASP  21          2HB       ASP  21   4.341  -9.973  -3.594
  184    H    THR  22           H        THR  22   3.217 -11.814  -1.255
  185    HA   THR  22           HA       THR  22   1.398 -10.515   0.422
  186    HB   THR  22           HB       THR  22   2.985 -11.015   2.259
  187    HG1  THR  22           HG1      THR  22   4.769 -12.493   0.991
  188   1HG2  THR  22          1HG2      THR  22   1.402 -12.714   1.289
  189   2HG2  THR  22          2HG2      THR  22   2.760 -13.340   0.354
  190   3HG2  THR  22          3HG2      THR  22   2.806 -13.387   2.116
  191    H    ILE  23           H        ILE  23   1.540  -8.705   1.730
  192    HA   ILE  23           HA       ILE  23   2.623  -6.390   0.646
  193    HB   ILE  23           HB       ILE  23   1.949  -6.903   3.549
  194   1HG1  ILE  23          1HG1      ILE  23   0.282  -5.761   1.292
  195   2HG1  ILE  23          2HG1      ILE  23   0.061  -7.340   2.039
  196   1HG2  ILE  23          1HG2      ILE  23   3.146  -4.657   2.295
  197   2HG2  ILE  23          2HG2      ILE  23   1.506  -4.212   2.766
  198   3HG2  ILE  23          3HG2      ILE  23   2.630  -4.837   3.972
  199   1HD1  ILE  23          1HD1      ILE  23  -0.155  -4.763   3.568
  200   2HD1  ILE  23          2HD1      ILE  23  -1.527  -5.546   2.779
  201   3HD1  ILE  23          3HD1      ILE  23  -0.662  -6.376   4.073
  202    H    GLU  24           H        GLU  24   3.979  -8.626   3.001
  203    HA   GLU  24           HA       GLU  24   6.214  -7.038   3.720
  204   1HB   GLU  24          1HB       GLU  24   7.136  -9.123   4.645
  205   2HB   GLU  24          2HB       GLU  24   5.463  -8.880   5.125
  206   1HG   GLU  24          1HG       GLU  24   4.737 -10.464   3.418
  207   2HG   GLU  24          2HG       GLU  24   6.412 -10.704   2.928
  208    H    ASN  25           H        ASN  25   5.587  -9.287   1.115
  209    HA   ASN  25           HA       ASN  25   8.281  -9.643   0.303
  210   1HB   ASN  25          1HB       ASN  25   6.421 -11.177  -0.313
  211   2HB   ASN  25          2HB       ASN  25   5.770  -9.919  -1.359
  212   1HD2  ASN  25          2HD2      ASN  25   6.097 -10.535  -3.369
  213   2HD2  ASN  25          1HD2      ASN  25   7.585 -11.124  -4.020
  214    H    VAL  26           H        VAL  26   5.680  -7.515  -0.860
  215    HA   VAL  26           HA       VAL  26   7.123  -6.312  -2.930
  216    HB   VAL  26           HB       VAL  26   5.488  -4.534  -2.882
  217   1HG1  VAL  26          1HG1      VAL  26   4.967  -7.112  -3.418
  218   2HG1  VAL  26          2HG1      VAL  26   3.737  -6.794  -2.195
  219   3HG1  VAL  26          3HG1      VAL  26   3.802  -5.808  -3.656
  220   1HG2  VAL  26          1HG2      VAL  26   5.415  -5.015  -0.124
  221   2HG2  VAL  26          2HG2      VAL  26   4.513  -3.802  -1.033
  222   3HG2  VAL  26          3HG2      VAL  26   3.804  -5.389  -0.736
  223    H    LYS  27           H        LYS  27   6.879  -5.516   0.496
  224    HA   LYS  27           HA       LYS  27   8.295  -3.066   0.376
  225   1HB   LYS  27          1HB       LYS  27   7.891  -4.997   2.664
  226   2HB   LYS  27          2HB       LYS  27   8.584  -3.389   2.830
  227   1HG   LYS  27          1HG       LYS  27   6.497  -2.400   2.052
  228   2HG   LYS  27          2HG       LYS  27   5.800  -4.010   1.870
  229   1HD   LYS  27          1HD       LYS  27   6.046  -4.412   4.252
  230   2HD   LYS  27          2HD       LYS  27   6.820  -2.841   4.456
  231   1HE   LYS  27          1HE       LYS  27   4.774  -1.731   3.730
  232   2HE   LYS  27          2HE       LYS  27   3.999  -3.297   3.498
  233   1HZ   LYS  27          1HZ       LYS  27   5.130  -2.891   6.124
  234   2HZ   LYS  27          2HZ       LYS  27   3.853  -1.848   5.749
  235   3HZ   LYS  27          3HZ       LYS  27   3.627  -3.523   5.679
  236    H    ALA  28           H        ALA  28   9.283  -6.410   0.883
  237    HA   ALA  28           HA       ALA  28  11.870  -6.110   1.748
  238   1HB   ALA  28          1HB       ALA  28  12.314  -8.258   0.445
  239   2HB   ALA  28          2HB       ALA  28  10.628  -8.156  -0.062
  240   3HB   ALA  28          3HB       ALA  28  11.027  -8.291   1.651
  241    H    LYS  29           H        LYS  29  10.645  -5.799  -1.550
  242    HA   LYS  29           HA       LYS  29  13.180  -5.571  -2.807
  243   1HB   LYS  29          1HB       LYS  29  10.601  -4.348  -3.795
  244   2HB   LYS  29          2HB       LYS  29  11.973  -4.888  -4.750
  245   1HG   LYS  29          1HG       LYS  29  11.486  -7.208  -4.115
  246   2HG   LYS  29          2HG       LYS  29  10.088  -6.643  -3.199
  247   1HD   LYS  29          1HD       LYS  29   9.091  -5.765  -5.243
  248   2HD   LYS  29          2HD       LYS  29  10.502  -6.282  -6.166
  249   1HE   LYS  29          1HE       LYS  29  10.033  -8.612  -5.557
  250   2HE   LYS  29          2HE       LYS  29   8.610  -8.085  -4.662
  251   1HZ   LYS  29          1HZ       LYS  29   8.283  -6.991  -7.136
  252   2HZ   LYS  29          2HZ       LYS  29   8.930  -8.517  -7.469
  253   3HZ   LYS  29          3HZ       LYS  29   7.513  -8.382  -6.556
  254    H    ILE  30           H        ILE  30  10.861  -3.283  -1.481
  255    HA   ILE  30           HA       ILE  30  12.009  -0.891  -2.297
  256    HB   ILE  30           HB       ILE  30  10.611  -1.473   0.317
  257   1HG1  ILE  30          1HG1      ILE  30   9.524  -0.447  -2.315
  258   2HG1  ILE  30          2HG1      ILE  30   9.281  -2.066  -1.673
  259   1HG2  ILE  30          1HG2      ILE  30  11.151   1.137  -1.101
  260   2HG2  ILE  30          2HG2      ILE  30  10.090   0.950   0.297
  261   3HG2  ILE  30          3HG2      ILE  30  11.814   0.616   0.450
  262   1HD1  ILE  30          1HD1      ILE  30   8.111  -1.062   0.265
  263   2HD1  ILE  30          2HD1      ILE  30   8.252   0.511  -0.520
  264   3HD1  ILE  30          3HD1      ILE  30   7.314  -0.775  -1.281
  265    H    GLN  31           H        GLN  31  12.835  -3.029   0.378
  266    HA   GLN  31           HA       GLN  31  14.659  -1.326   1.693
  267   1HB   GLN  31          1HB       GLN  31  14.668  -4.350   1.543
  268   2HB   GLN  31          2HB       GLN  31  15.530  -3.377   2.726
  269   1HG   GLN  31          1HG       GLN  31  13.415  -2.573   3.620
  270   2HG   GLN  31          2HG       GLN  31  12.540  -3.517   2.417
  271   1HE2  GLN  31          2HE2      GLN  31  11.744  -5.332   3.169
  272   2HE2  GLN  31          1HE2      GLN  31  12.418  -6.303   4.428
  273    H    ASP  32           H        ASP  32  15.023  -3.771  -0.829
  274    HA   ASP  32           HA       ASP  32  17.823  -3.506  -1.114
  275   1HB   ASP  32          1HB       ASP  32  16.583  -5.475  -1.929
  276   2HB   ASP  32          2HB       ASP  32  15.773  -4.462  -3.121
  277    H    LYS  33           H        LYS  33  15.058  -1.892  -2.434
  278    HA   LYS  33           HA       LYS  33  16.383  -0.489  -4.511
  279   1HB   LYS  33          1HB       LYS  33  13.724  -0.082  -3.148
  280   2HB   LYS  33          2HB       LYS  33  14.266   0.884  -4.518
  281   1HG   LYS  33          1HG       LYS  33  14.435  -1.170  -5.863
  282   2HG   LYS  33          2HG       LYS  33  13.832  -2.096  -4.491
  283   1HD   LYS  33          1HD       LYS  33  12.008  -1.676  -5.992
  284   2HD   LYS  33          2HD       LYS  33  11.769  -0.711  -4.534
  285   1HE   LYS  33          1HE       LYS  33  11.267   0.587  -6.533
  286   2HE   LYS  33          2HE       LYS  33  12.660   1.251  -5.679
  287   1HZ   LYS  33          1HZ       LYS  33  13.656  -0.581  -7.497
  288   2HZ   LYS  33          2HZ       LYS  33  12.492   0.312  -8.339
  289   3HZ   LYS  33          3HZ       LYS  33  13.774   1.105  -7.571
  290    H    GLU  34           H        GLU  34  15.794   0.189  -1.118
  291    HA   GLU  34           HA       GLU  34  17.417   2.618  -1.421
  292   1HB   GLU  34          1HB       GLU  34  14.868   2.426   0.187
  293   2HB   GLU  34          2HB       GLU  34  15.968   3.793   0.206
  294   1HG   GLU  34          1HG       GLU  34  14.485   2.798  -2.215
  295   2HG   GLU  34          2HG       GLU  34  14.002   4.165  -1.216
  296    H    GLY  35           H        GLY  35  15.847   0.668   1.147
  297   1HA   GLY  35          1HA       GLY  35  18.440   0.744   2.566
  298   2HA   GLY  35          2HA       GLY  35  17.436  -0.694   2.509
  299    H    ILE  36           H        ILE  36  15.002   0.003   3.191
  300    HA   ILE  36           HA       ILE  36  15.323   0.972   5.908
  301    HB   ILE  36           HB       ILE  36  12.915   2.112   5.261
  302   1HG1  ILE  36          1HG1      ILE  36  13.458   3.590   3.298
  303   2HG1  ILE  36          2HG1      ILE  36  14.839   2.553   2.968
  304   1HG2  ILE  36          1HG2      ILE  36  15.552   2.928   6.050
  305   2HG2  ILE  36          2HG2      ILE  36  14.809   4.148   5.017
  306   3HG2  ILE  36          3HG2      ILE  36  13.985   3.614   6.482
  307   1HD1  ILE  36          1HD1      ILE  36  12.768   0.768   3.116
  308   2HD1  ILE  36          2HD1      ILE  36  12.034   2.176   2.349
  309   3HD1  ILE  36          3HD1      ILE  36  13.467   1.431   1.638
  310    HA   PRO  37           HA       PRO  37  13.024  -2.640   7.004
  311   1HB   PRO  37          1HB       PRO  37  11.817  -0.629   8.871
  312   2HB   PRO  37          2HB       PRO  37  12.345  -2.283   9.202
  313   1HG   PRO  37          1HG       PRO  37  13.884  -0.217   9.863
  314   2HG   PRO  37          2HG       PRO  37  14.596  -1.699   9.200
  315   1HD   PRO  37          1HD       PRO  37  14.248   0.957   7.935
  316   2HD   PRO  37          2HD       PRO  37  15.446  -0.304   7.601
  317    HA   PRO  38           HA       PRO  38   9.278  -2.227   4.651
  318   1HB   PRO  38          1HB       PRO  38   8.017  -4.463   5.664
  319   2HB   PRO  38          2HB       PRO  38   9.199  -4.481   4.355
  320   1HG   PRO  38          1HG       PRO  38   9.572  -5.081   7.255
  321   2HG   PRO  38          2HG       PRO  38  10.282  -5.880   5.841
  322   1HD   PRO  38          1HD       PRO  38  11.679  -4.136   7.337
  323   2HD   PRO  38          2HD       PRO  38  11.905  -4.255   5.580
  324    H    ASP  39           H        ASP  39   9.134  -2.855   8.131
  325    HA   ASP  39           HA       ASP  39   6.443  -2.261   8.564
  326   1HB   ASP  39          1HB       ASP  39   7.939  -3.302  10.242
  327   2HB   ASP  39          2HB       ASP  39   8.772  -1.765  10.434
  328    H    GLN  40           H        GLN  40   9.257  -0.169   8.314
  329    HA   GLN  40           HA       GLN  40   8.130   2.204   9.241
  330   1HB   GLN  40          1HB       GLN  40  10.281   1.730   7.183
  331   2HB   GLN  40          2HB       GLN  40   9.887   3.313   7.835
  332   1HG   GLN  40          1HG       GLN  40  10.650   2.750   9.971
  333   2HG   GLN  40          2HG       GLN  40  10.639   1.025   9.615
  334   1HE2  GLN  40          2HE2      GLN  40  11.791   2.213   6.891
  335   2HE2  GLN  40          1HE2      GLN  40  13.485   2.232   7.219
  336    H    GLN  41           H        GLN  41   8.223   0.871   5.946
  337    HA   GLN  41           HA       GLN  41   7.086   3.002   4.585
  338   1HB   GLN  41          1HB       GLN  41   6.894   0.032   4.101
  339   2HB   GLN  41          2HB       GLN  41   6.200   1.212   2.999
  340   1HG   GLN  41          1HG       GLN  41   8.341   0.496   2.184
  341   2HG   GLN  41          2HG       GLN  41   8.426   2.187   2.664
  342   1HE2  GLN  41          2HE2      GLN  41   9.885  -0.790   2.878
  343   2HE2  GLN  41          1HE2      GLN  41  10.951  -0.475   4.199
  344    H    ARG  42           H        ARG  42   5.162   3.951   4.668
  345    HA   ARG  42           HA       ARG  42   3.055   2.720   6.215
  346   1HB   ARG  42          1HB       ARG  42   3.635   5.041   6.695
  347   2HB   ARG  42          2HB       ARG  42   3.269   5.487   5.036
  348   1HG   ARG  42          1HG       ARG  42   0.929   4.882   5.387
  349   2HG   ARG  42          2HG       ARG  42   1.297   4.431   7.051
  350   1HD   ARG  42          1HD       ARG  42   1.616   7.177   5.847
  351   2HD   ARG  42          2HD       ARG  42   0.321   6.667   6.930
  352    HE   ARG  42           HE       ARG  42   2.768   6.174   8.191
  353   1HH1  ARG  42          1HH1      ARG  42   0.826   8.867   7.132
  354   2HH1  ARG  42          2HH1      ARG  42   1.423   9.943   8.352
  355   1HH2  ARG  42          1HH2      ARG  42   3.558   7.584   9.800
  356   2HH2  ARG  42          2HH2      ARG  42   2.975   9.213   9.868
  357    H    LEU  43           H        LEU  43   1.395   1.671   5.334
  358    HA   LEU  43           HA       LEU  43   1.084   1.530   2.495
  359   1HB   LEU  43          1HB       LEU  43  -0.420   0.367   4.817
  360   2HB   LEU  43          2HB       LEU  43  -1.039   0.223   3.185
  361    HG   LEU  43           HG       LEU  43   0.983  -0.972   2.506
  362   1HD1  LEU  43          1HD1      LEU  43   1.829  -0.302   5.283
  363   2HD1  LEU  43          2HD1      LEU  43   2.406  -1.794   4.538
  364   3HD1  LEU  43          3HD1      LEU  43   2.747  -0.237   3.779
  365   1HD2  LEU  43          1HD2      LEU  43  -0.932  -2.235   3.347
  366   2HD2  LEU  43          2HD2      LEU  43   0.595  -3.034   3.723
  367   3HD2  LEU  43          3HD2      LEU  43  -0.270  -2.147   4.979
  368    H    ILE  44           H        ILE  44  -0.254   2.595   1.190
  369    HA   ILE  44           HA       ILE  44  -2.492   4.099   2.310
  370    HB   ILE  44           HB       ILE  44  -0.366   5.367   0.583
  371   1HG1  ILE  44          1HG1      ILE  44  -1.224   5.985   3.418
  372   2HG1  ILE  44          2HG1      ILE  44   0.227   5.087   2.984
  373   1HG2  ILE  44          1HG2      ILE  44  -3.008   6.410   1.585
  374   2HG2  ILE  44          2HG2      ILE  44  -1.729   7.440   0.940
  375   3HG2  ILE  44          3HG2      ILE  44  -2.485   6.224  -0.090
  376   1HD1  ILE  44          1HD1      ILE  44   0.212   7.554   1.569
  377   2HD1  ILE  44          2HD1      ILE  44  -0.078   7.859   3.282
  378   3HD1  ILE  44          3HD1      ILE  44   1.355   6.964   2.776
  379    H    PHE  45           H        PHE  45  -4.242   4.110   1.011
  380    HA   PHE  45           HA       PHE  45  -3.906   3.241  -1.782
  381   1HB   PHE  45          1HB       PHE  45  -6.047   2.330   0.154
  382   2HB   PHE  45          2HB       PHE  45  -6.021   1.953  -1.565
  383    HD1  PHE  45           HD1      PHE  45  -3.818   1.670   1.437
  384    HD2  PHE  45           HD2      PHE  45  -5.165  -0.069  -2.206
  385    HE1  PHE  45           HE1      PHE  45  -2.464  -0.333   1.897
  386    HE2  PHE  45           HE2      PHE  45  -3.815  -2.075  -1.752
  387    HZ   PHE  45           HZ       PHE  45  -2.463  -2.209   0.303
  388    H    ALA  46           H        ALA  46  -5.300   4.160  -3.300
  389    HA   ALA  46           HA       ALA  46  -7.403   5.955  -2.400
  390   1HB   ALA  46          1HB       ALA  46  -6.056   7.742  -2.361
  391   2HB   ALA  46          2HB       ALA  46  -4.781   6.922  -3.264
  392   3HB   ALA  46          3HB       ALA  46  -6.136   7.656  -4.121
  393    H    GLY  47           H        GLY  47  -9.056   5.922  -3.776
  394   1HA   GLY  47          1HA       GLY  47 -10.310   5.523  -5.654
  395   2HA   GLY  47          2HA       GLY  47  -9.153   4.251  -6.001
  396    H    LYS  48           H        LYS  48  -8.870   4.474  -8.138
  397    HA   LYS  48           HA       LYS  48  -7.261   6.620  -9.109
  398   1HB   LYS  48          1HB       LYS  48  -7.098   4.290  -9.943
  399   2HB   LYS  48          2HB       LYS  48  -8.692   4.462 -10.661
  400   1HG   LYS  48          1HG       LYS  48  -6.983   4.742 -12.341
  401   2HG   LYS  48          2HG       LYS  48  -7.842   6.262 -12.094
  402   1HD   LYS  48          1HD       LYS  48  -6.021   7.061 -10.669
  403   2HD   LYS  48          2HD       LYS  48  -5.163   5.539 -10.907
  404   1HE   LYS  48          1HE       LYS  48  -4.278   7.283 -12.363
  405   2HE   LYS  48          2HE       LYS  48  -5.016   5.983 -13.300
  406   1HZ   LYS  48          1HZ       LYS  48  -6.687   8.278 -12.597
  407   2HZ   LYS  48          2HZ       LYS  48  -5.521   8.498 -13.802
  408   3HZ   LYS  48          3HZ       LYS  48  -6.711   7.309 -13.984
  409    H    GLN  49           H        GLN  49  -8.748   8.346  -8.473
  410    HA   GLN  49           HA       GLN  49 -11.194   8.732  -9.858
  411   1HB   GLN  49          1HB       GLN  49  -9.345  10.757  -8.574
  412   2HB   GLN  49          2HB       GLN  49 -10.984  11.087  -9.110
  413   1HG   GLN  49          1HG       GLN  49 -11.837   9.466  -7.490
  414   2HG   GLN  49          2HG       GLN  49 -10.189   9.155  -6.945
  415   1HE2  GLN  49          2HE2      GLN  49  -9.699  10.147  -5.139
  416   2HE2  GLN  49          1HE2      GLN  49 -10.296  11.681  -4.616
  417    H    LEU  50           H        LEU  50 -11.038   8.546 -12.011
  418    HA   LEU  50           HA       LEU  50  -9.005   9.097 -13.711
  419   1HB   LEU  50          1HB       LEU  50 -11.941   9.536 -14.247
  420   2HB   LEU  50          2HB       LEU  50 -10.704   9.465 -15.486
  421    HG   LEU  50           HG       LEU  50 -11.734   7.347 -15.492
  422   1HD1  LEU  50          1HD1      LEU  50  -9.190   7.429 -15.407
  423   2HD1  LEU  50          2HD1      LEU  50  -9.343   6.852 -13.745
  424   3HD1  LEU  50          3HD1      LEU  50  -9.962   5.876 -15.080
  425   1HD2  LEU  50          1HD2      LEU  50 -12.910   7.536 -13.361
  426   2HD2  LEU  50          2HD2      LEU  50 -12.088   5.983 -13.513
  427   3HD2  LEU  50          3HD2      LEU  50 -11.398   7.252 -12.499
  428    H    GLU  51           H        GLU  51  -7.923  10.929 -12.827
  429    HA   GLU  51           HA       GLU  51  -7.283  13.110 -12.805
  430   1HB   GLU  51          1HB       GLU  51  -9.055  13.134 -15.246
  431   2HB   GLU  51          2HB       GLU  51  -8.106  14.522 -14.746
  432   1HG   GLU  51          1HG       GLU  51  -6.913  13.385 -16.456
  433   2HG   GLU  51          2HG       GLU  51  -6.063  13.130 -14.937
  434    H1   GLY  -1           H1       GLY  -1  -4.095  -8.239  15.385
  435    H2   GLY  -1           H2       GLY  -1  -2.686  -8.832  16.110
  436    H3   GLY  -1           H3       GLY  -1  -3.927  -8.196  17.067
  437   1HA   GLY  -1          1HA       GLY  -1  -1.931  -6.715  16.702
  438   2HA   GLY  -1          2HA       GLY  -1  -3.513  -6.013  16.415
  439    H    SER   0           H        SER   0  -4.136  -7.067  13.944
  440    HA   SER   0           HA       SER   0  -2.132  -6.941  12.005
  441   1HB   SER   0          1HB       SER   0  -5.072  -6.272  11.732
  442   2HB   SER   0          2HB       SER   0  -3.972  -6.581  10.392
  443    HG   SER   0           HG       SER   0  -5.122  -8.457  10.933
  444    H    MET   1           H        MET   1  -1.370  -5.310  10.681
  445    HA   MET   1           HA       MET   1  -1.336  -2.691  11.833
  446   1HB   MET   1          1HB       MET   1   0.101  -2.157   9.831
  447   2HB   MET   1          2HB       MET   1   0.692  -3.460  10.851
  448   1HG   MET   1          1HG       MET   1  -0.145  -5.106   9.284
  449   2HG   MET   1          2HG       MET   1  -0.828  -3.829   8.280
  450   1HE   MET   1          1HE       MET   1   0.618  -1.765   7.941
  451   2HE   MET   1          2HE       MET   1   2.363  -1.758   7.676
  452   3HE   MET   1          3HE       MET   1   1.277  -2.281   6.388
  453    H    GLN   2           H        GLN   2  -2.934  -1.289  11.572
  454    HA   GLN   2           HA       GLN   2  -4.871  -1.488   9.515
  455   1HB   GLN   2          1HB       GLN   2  -5.753   0.600  10.439
  456   2HB   GLN   2          2HB       GLN   2  -5.393  -0.554  11.713
  457   1HG   GLN   2          1HG       GLN   2  -3.278   0.621  12.143
  458   2HG   GLN   2          2HG       GLN   2  -3.710   1.808  10.918
  459   1HE2  GLN   2          2HE2      GLN   2  -6.525   0.907  12.340
  460   2HE2  GLN   2          1HE2      GLN   2  -6.643   2.130  13.552
  461    H    ILE   3           H        ILE   3  -4.797  -0.770   7.511
  462    HA   ILE   3           HA       ILE   3  -2.560   0.855   6.639
  463    HB   ILE   3           HB       ILE   3  -3.331   0.392   4.368
  464   1HG1  ILE   3          1HG1      ILE   3  -5.572  -1.147   5.694
  465   2HG1  ILE   3          2HG1      ILE   3  -5.757   0.372   4.826
  466   1HG2  ILE   3          1HG2      ILE   3  -1.983  -1.248   5.841
  467   2HG2  ILE   3          2HG2      ILE   3  -3.456  -2.217   5.820
  468   3HG2  ILE   3          3HG2      ILE   3  -2.643  -1.816   4.307
  469   1HD1  ILE   3          1HD1      ILE   3  -4.414  -1.426   3.111
  470   2HD1  ILE   3          2HD1      ILE   3  -5.795  -2.274   3.809
  471   3HD1  ILE   3          3HD1      ILE   3  -6.038  -0.753   2.949
  472    H    PHE   4           H        PHE   4  -2.696   2.825   5.602
  473    HA   PHE   4           HA       PHE   4  -5.041   4.410   6.280
  474   1HB   PHE   4          1HB       PHE   4  -2.358   5.187   5.115
  475   2HB   PHE   4          2HB       PHE   4  -3.646   6.327   5.478
  476    HD1  PHE   4           HD1      PHE   4  -3.182   7.586   7.320
  477    HD2  PHE   4           HD2      PHE   4  -2.083   3.474   7.325
  478    HE1  PHE   4           HE1      PHE   4  -2.338   7.818   9.619
  479    HE2  PHE   4           HE2      PHE   4  -1.240   3.698   9.624
  480    HZ   PHE   4           HZ       PHE   4  -1.366   5.872  10.775
  481    H    VAL   5           H        VAL   5  -6.485   5.206   4.829
  482    HA   VAL   5           HA       VAL   5  -5.909   5.059   1.976
  483    HB   VAL   5           HB       VAL   5  -8.326   3.676   3.156
  484   1HG1  VAL   5          1HG1      VAL   5  -7.877   4.776   0.591
  485   2HG1  VAL   5          2HG1      VAL   5  -7.829   3.020   0.429
  486   3HG1  VAL   5          3HG1      VAL   5  -9.240   3.801   1.139
  487   1HG2  VAL   5          1HG2      VAL   5  -6.278   2.392   3.526
  488   2HG2  VAL   5          2HG2      VAL   5  -7.331   1.601   2.352
  489   3HG2  VAL   5          3HG2      VAL   5  -5.907   2.486   1.804
  490    H    LYS   6           H        LYS   6  -6.942   6.600   0.806
  491    HA   LYS   6           HA       LYS   6  -8.709   8.410   2.297
  492   1HB   LYS   6          1HB       LYS   6  -7.055   8.867  -0.189
  493   2HB   LYS   6          2HB       LYS   6  -8.161  10.052   0.490
  494   1HG   LYS   6          1HG       LYS   6  -6.848  10.083   2.557
  495   2HG   LYS   6          2HG       LYS   6  -5.728   8.915   1.851
  496   1HD   LYS   6          1HD       LYS   6  -5.135  10.490   0.108
  497   2HD   LYS   6          2HD       LYS   6  -6.316  11.648   0.720
  498   1HE   LYS   6          1HE       LYS   6  -5.082  11.810   2.818
  499   2HE   LYS   6          2HE       LYS   6  -3.907  10.636   2.223
  500   1HZ   LYS   6          1HZ       LYS   6  -4.123  12.683   0.332
  501   2HZ   LYS   6          2HZ       LYS   6  -3.930  13.411   1.847
  502   3HZ   LYS   6          3HZ       LYS   6  -2.790  12.288   1.297
  503    H    THR   7           H        THR   7 -10.798   8.500   1.808
  504    HA   THR   7           HA       THR   7 -11.948   6.846  -0.177
  505    HB   THR   7           HB       THR   7 -13.195   9.126   1.376
  506    HG1  THR   7           HG1      THR   7 -13.546   6.367   1.891
  507   1HG2  THR   7          1HG2      THR   7 -14.240   7.297  -0.661
  508   2HG2  THR   7          2HG2      THR   7 -15.193   7.353   0.822
  509   3HG2  THR   7          3HG2      THR   7 -14.880   8.834  -0.082
  510    H    LEU   8           H        LEU   8 -13.096   7.457  -2.071
  511    HA   LEU   8           HA       LEU   8 -11.803   9.104  -3.821
  512   1HB   LEU   8          1HB       LEU   8 -14.786   8.698  -3.910
  513   2HB   LEU   8          2HB       LEU   8 -13.712   9.004  -5.258
  514    HG   LEU   8           HG       LEU   8 -14.114   6.750  -5.501
  515   1HD1  LEU   8          1HD1      LEU   8 -11.605   7.384  -4.921
  516   2HD1  LEU   8          2HD1      LEU   8 -11.904   6.248  -3.605
  517   3HD1  LEU   8          3HD1      LEU   8 -12.109   5.733  -5.280
  518   1HD2  LEU   8          1HD2      LEU   8 -14.172   6.602  -2.513
  519   2HD2  LEU   8          2HD2      LEU   8 -15.496   6.344  -3.648
  520   3HD2  LEU   8          3HD2      LEU   8 -14.179   5.175  -3.549
  521    H    THR   9           H        THR   9 -14.486   9.955  -1.679
  522    HA   THR   9           HA       THR   9 -14.663  12.655  -2.621
  523    HB   THR   9           HB       THR   9 -16.169  13.017  -0.703
  524    HG1  THR   9           HG1      THR   9 -16.627  10.816   0.394
  525   1HG2  THR   9          1HG2      THR   9 -16.642  11.486  -2.919
  526   2HG2  THR   9          2HG2      THR   9 -17.173  10.422  -1.616
  527   3HG2  THR   9          3HG2      THR   9 -17.875  12.031  -1.783
  528    H    GLY  10           H        GLY  10 -13.293  11.097   0.274
  529   1HA   GLY  10          1HA       GLY  10 -12.267  13.636   1.240
  530   2HA   GLY  10          2HA       GLY  10 -11.047  12.531   0.624
  531    H    LYS  11           H        LYS  11 -13.930  11.434   2.274
  532    HA   LYS  11           HA       LYS  11 -13.230  11.398   4.900
  533   1HB   LYS  11          1HB       LYS  11 -15.379  10.577   4.100
  534   2HB   LYS  11          2HB       LYS  11 -14.599   9.177   3.375
  535   1HG   LYS  11          1HG       LYS  11 -13.880   8.465   5.637
  536   2HG   LYS  11          2HG       LYS  11 -14.797   9.813   6.313
  537   1HD   LYS  11          1HD       LYS  11 -15.939   7.565   4.655
  538   2HD   LYS  11          2HD       LYS  11 -16.056   7.710   6.410
  539   1HE   LYS  11          1HE       LYS  11 -17.190   9.640   4.392
  540   2HE   LYS  11          2HE       LYS  11 -18.107   8.456   5.321
  541   1HZ   LYS  11          1HZ       LYS  11 -17.035   9.681   7.326
  542   2HZ   LYS  11          2HZ       LYS  11 -16.851  10.952   6.225
  543   3HZ   LYS  11          3HZ       LYS  11 -18.392  10.343   6.563
  544    H    THR  12           H        THR  12 -11.864  10.353   6.212
  545    HA   THR  12           HA       THR  12  -9.734   8.800   5.049
  546    HB   THR  12           HB       THR  12 -10.258   9.419   7.960
  547    HG1  THR  12           HG1      THR  12  -8.263  10.792   6.638
  548   1HG2  THR  12          1HG2      THR  12  -7.762   8.523   6.513
  549   2HG2  THR  12          2HG2      THR  12  -7.830   9.018   8.204
  550   3HG2  THR  12          3HG2      THR  12  -8.700   7.580   7.673
  551    H    ILE  13           H        ILE  13  -9.272   6.639   5.411
  552    HA   ILE  13           HA       ILE  13 -11.117   5.080   7.044
  553    HB   ILE  13           HB       ILE  13 -11.133   3.330   5.134
  554   1HG1  ILE  13          1HG1      ILE  13 -10.746   5.876   3.545
  555   2HG1  ILE  13          2HG1      ILE  13  -9.571   4.572   3.666
  556   1HG2  ILE  13          1HG2      ILE  13 -12.806   5.732   5.554
  557   2HG2  ILE  13          2HG2      ILE  13 -13.104   4.791   4.091
  558   3HG2  ILE  13          3HG2      ILE  13 -13.219   4.020   5.673
  559   1HD1  ILE  13          1HD1      ILE  13 -11.896   3.317   2.840
  560   2HD1  ILE  13          2HD1      ILE  13 -11.868   4.835   1.943
  561   3HD1  ILE  13          3HD1      ILE  13 -10.500   3.726   1.842
  562    H    THR  14           H        THR  14 -10.201   3.435   8.081
  563    HA   THR  14           HA       THR  14  -7.537   2.504   7.265
  564    HB   THR  14           HB       THR  14  -8.155   3.193  10.136
  565    HG1  THR  14           HG1      THR  14  -8.198   5.097   8.769
  566   1HG2  THR  14          1HG2      THR  14  -6.102   1.758   8.931
  567   2HG2  THR  14          2HG2      THR  14  -5.408   3.348   9.251
  568   3HG2  THR  14          3HG2      THR  14  -6.115   2.412  10.568
  569    H    LEU  15           H        LEU  15  -7.114   0.371   7.737
  570    HA   LEU  15           HA       LEU  15  -8.891  -1.110   9.491
  571   1HB   LEU  15          1HB       LEU  15  -9.402  -2.821   7.797
  572   2HB   LEU  15          2HB       LEU  15 -10.112  -1.264   7.420
  573    HG   LEU  15           HG       LEU  15  -7.475  -1.923   6.202
  574   1HD1  LEU  15          1HD1      LEU  15  -9.036  -3.936   5.980
  575   2HD1  LEU  15          2HD1      LEU  15 -10.024  -2.895   4.955
  576   3HD1  LEU  15          3HD1      LEU  15  -8.359  -3.257   4.499
  577   1HD2  LEU  15          1HD2      LEU  15  -9.107   0.199   6.037
  578   2HD2  LEU  15          2HD2      LEU  15  -8.039  -0.308   4.728
  579   3HD2  LEU  15          3HD2      LEU  15  -9.739  -0.773   4.708
  580    H    GLU  16           H        GLU  16  -7.833  -2.644  10.547
  581    HA   GLU  16           HA       GLU  16  -5.047  -3.017  10.170
  582   1HB   GLU  16          1HB       GLU  16  -5.292  -4.708  11.977
  583   2HB   GLU  16          2HB       GLU  16  -5.990  -3.148  12.383
  584   1HG   GLU  16          1HG       GLU  16  -8.215  -4.000  11.849
  585   2HG   GLU  16          2HG       GLU  16  -7.514  -5.567  11.444
  586    H    VAL  17           H        VAL  17  -3.951  -4.538   9.098
  587    HA   VAL  17           HA       VAL  17  -5.225  -7.012   8.264
  588    HB   VAL  17           HB       VAL  17  -4.479  -6.715   5.893
  589   1HG1  VAL  17          1HG1      VAL  17  -3.275  -4.406   6.925
  590   2HG1  VAL  17          2HG1      VAL  17  -3.317  -4.945   5.247
  591   3HG1  VAL  17          3HG1      VAL  17  -4.562  -3.854   5.855
  592   1HG2  VAL  17          1HG2      VAL  17  -6.836  -6.198   6.906
  593   2HG2  VAL  17          2HG2      VAL  17  -6.431  -4.542   6.460
  594   3HG2  VAL  17          3HG2      VAL  17  -6.471  -5.802   5.227
  595    H    GLU  18           H        GLU  18  -3.801  -8.665   8.120
  596    HA   GLU  18           HA       GLU  18  -1.184  -8.292   9.145
  597   1HB   GLU  18          1HB       GLU  18  -2.349 -10.731   7.798
  598   2HB   GLU  18          2HB       GLU  18  -0.919 -10.693   8.817
  599   1HG   GLU  18          1HG       GLU  18  -2.290 -10.018  10.721
  600   2HG   GLU  18          2HG       GLU  18  -3.724 -10.053   9.698
  601    HA   PRO  19           HA       PRO  19   1.210  -7.245   5.576
  602   1HB   PRO  19          1HB       PRO  19   3.432  -8.812   6.252
  603   2HB   PRO  19          2HB       PRO  19   3.163  -7.137   6.722
  604   1HG   PRO  19          1HG       PRO  19   2.682  -9.636   8.264
  605   2HG   PRO  19          2HG       PRO  19   3.239  -8.053   8.833
  606   1HD   PRO  19          1HD       PRO  19   0.729  -8.865   9.252
  607   2HD   PRO  19          2HD       PRO  19   1.090  -7.170   8.864
  608    H    SER  20           H        SER  20   1.024 -10.595   6.637
  609    HA   SER  20           HA       SER  20   1.956 -11.796   4.274
  610   1HB   SER  20          1HB       SER  20   1.848 -12.975   6.411
  611   2HB   SER  20          2HB       SER  20   0.090 -12.883   6.390
  612    HG   SER  20           HG       SER  20   1.740 -14.271   4.546
  613    H    ASP  21           H        ASP  21  -1.203 -10.645   5.251
  614    HA   ASP  21           HA       ASP  21  -2.804 -11.948   3.388
  615   1HB   ASP  21          1HB       ASP  21  -3.057  -9.200   4.615
  616   2HB   ASP  21          2HB       ASP  21  -4.302  -9.920   3.603
  617    H    THR  22           H        THR  22  -3.152 -11.750   1.269
  618    HA   THR  22           HA       THR  22  -1.331 -10.450  -0.402
  619    HB   THR  22           HB       THR  22  -2.916 -10.945  -2.243
  620    HG1  THR  22           HG1      THR  22  -4.713 -12.412  -0.982
  621   1HG2  THR  22          1HG2      THR  22  -1.346 -12.653  -1.263
  622   2HG2  THR  22          2HG2      THR  22  -2.714 -13.271  -0.338
  623   3HG2  THR  22          3HG2      THR  22  -2.749 -13.316  -2.100
  624    H    ILE  23           H        ILE  23  -1.490  -8.646  -1.737
  625    HA   ILE  23           HA       ILE  23  -2.552  -6.326  -0.640
  626    HB   ILE  23           HB       ILE  23  -1.905  -6.846  -3.547
  627   1HG1  ILE  23          1HG1      ILE  23  -0.226  -5.691  -1.307
  628   2HG1  ILE  23          2HG1      ILE  23  -0.005  -7.271  -2.051
  629   1HG2  ILE  23          1HG2      ILE  23  -3.107  -4.601  -2.303
  630   2HG2  ILE  23          2HG2      ILE  23  -1.467  -4.150  -2.768
  631   3HG2  ILE  23          3HG2      ILE  23  -2.584  -4.780  -3.979
  632   1HD1  ILE  23          1HD1      ILE  23   0.195  -4.697  -3.586
  633   2HD1  ILE  23          2HD1      ILE  23   1.574  -5.476  -2.805
  634   3HD1  ILE  23          3HD1      ILE  23   0.701  -6.310  -4.091
  635    H    GLU  24           H        GLU  24  -3.939  -8.566  -2.972
  636    HA   GLU  24           HA       GLU  24  -6.185  -6.981  -3.665
  637   1HB   GLU  24          1HB       GLU  24  -7.125  -9.079  -4.554
  638   2HB   GLU  24          2HB       GLU  24  -5.467  -8.827  -5.075
  639   1HG   GLU  24          1HG       GLU  24  -4.691 -10.394  -3.370
  640   2HG   GLU  24          2HG       GLU  24  -6.356 -10.651  -2.854
  641    H    ASN  25           H        ASN  25  -5.496  -9.177  -1.042
  642    HA   ASN  25           HA       ASN  25  -8.141  -9.609  -0.151
  643   1HB   ASN  25          1HB       ASN  25  -6.250 -11.014   0.556
  644   2HB   ASN  25          2HB       ASN  25  -5.555  -9.647   1.420
  645   1HD2  ASN  25          2HD2      ASN  25  -7.021 -12.411   1.952
  646   2HD2  ASN  25          1HD2      ASN  25  -7.945 -12.042   3.364
  647    H    VAL  26           H        VAL  26  -5.628  -7.357   0.982
  648    HA   VAL  26           HA       VAL  26  -7.135  -6.098   2.951
  649    HB   VAL  26           HB       VAL  26  -5.541  -4.279   2.849
  650   1HG1  VAL  26          1HG1      VAL  26  -4.985  -6.824   3.506
  651   2HG1  VAL  26          2HG1      VAL  26  -3.734  -6.532   2.297
  652   3HG1  VAL  26          3HG1      VAL  26  -3.852  -5.489   3.714
  653   1HG2  VAL  26          1HG2      VAL  26  -5.418  -4.865   0.120
  654   2HG2  VAL  26          2HG2      VAL  26  -4.520  -3.624   0.993
  655   3HG2  VAL  26          3HG2      VAL  26  -3.816  -5.224   0.762
  656    H    LYS  27           H        LYS  27  -6.856  -5.402  -0.497
  657    HA   LYS  27           HA       LYS  27  -8.331  -2.988  -0.467
  658   1HB   LYS  27          1HB       LYS  27  -7.861  -4.971  -2.697
  659   2HB   LYS  27          2HB       LYS  27  -8.569  -3.376  -2.914
  660   1HG   LYS  27          1HG       LYS  27  -6.506  -2.345  -2.117
  661   2HG   LYS  27          2HG       LYS  27  -5.794  -3.944  -1.892
  662   1HD   LYS  27          1HD       LYS  27  -5.989  -4.393  -4.270
  663   2HD   LYS  27          2HD       LYS  27  -6.782  -2.838  -4.519
  664   1HE   LYS  27          1HE       LYS  27  -4.765  -1.686  -3.767
  665   2HE   LYS  27          2HE       LYS  27  -3.971  -3.238  -3.507
  666   1HZ   LYS  27          1HZ       LYS  27  -5.072  -2.866  -6.155
  667   2HZ   LYS  27          2HZ       LYS  27  -3.805  -1.813  -5.769
  668   3HZ   LYS  27          3HZ       LYS  27  -3.572  -3.488  -5.683
  669    H    ALA  28           H        ALA  28  -9.242  -6.367  -0.861
  670    HA   ALA  28           HA       ALA  28 -11.828  -6.146  -1.768
  671   1HB   ALA  28          1HB       ALA  28 -12.245  -8.264  -0.422
  672   2HB   ALA  28          2HB       ALA  28 -10.924  -8.305  -1.591
  673   3HB   ALA  28          3HB       ALA  28 -10.576  -8.110   0.127
  674    H    LYS  29           H        LYS  29 -10.648  -5.783   1.547
  675    HA   LYS  29           HA       LYS  29 -13.209  -5.523   2.751
  676   1HB   LYS  29          1HB       LYS  29 -10.642  -4.325   3.793
  677   2HB   LYS  29          2HB       LYS  29 -12.037  -4.863   4.717
  678   1HG   LYS  29          1HG       LYS  29 -11.547  -7.178   4.103
  679   2HG   LYS  29          2HG       LYS  29 -10.144  -6.627   3.184
  680   1HD   LYS  29          1HD       LYS  29  -9.158  -5.725   5.234
  681   2HD   LYS  29          2HD       LYS  29 -10.560  -6.272   6.152
  682   1HE   LYS  29          1HE       LYS  29 -10.052  -8.587   5.543
  683   2HE   LYS  29          2HE       LYS  29  -8.649  -8.038   4.630
  684   1HZ   LYS  29          1HZ       LYS  29  -8.295  -6.937   7.092
  685   2HZ   LYS  29          2HZ       LYS  29  -8.934  -8.462   7.446
  686   3HZ   LYS  29          3HZ       LYS  29  -7.529  -8.330   6.513
  687    H    ILE  30           H        ILE  30 -10.840  -3.280   1.444
  688    HA   ILE  30           HA       ILE  30 -11.952  -0.863   2.228
  689    HB   ILE  30           HB       ILE  30 -10.534  -1.530  -0.355
  690   1HG1  ILE  30          1HG1      ILE  30  -9.504  -0.382   2.251
  691   2HG1  ILE  30          2HG1      ILE  30  -9.223  -2.019   1.669
  692   1HG2  ILE  30          1HG2      ILE  30 -11.102   1.146   0.920
  693   2HG2  ILE  30          2HG2      ILE  30 -10.031   0.890  -0.458
  694   3HG2  ILE  30          3HG2      ILE  30 -11.755   0.543  -0.604
  695   1HD1  ILE  30          1HD1      ILE  30  -8.055  -1.033  -0.299
  696   2HD1  ILE  30          2HD1      ILE  30  -8.198   0.542   0.481
  697   3HD1  ILE  30          3HD1      ILE  30  -7.267  -0.743   1.252
  698    H    GLN  31           H        GLN  31 -12.808  -3.026  -0.410
  699    HA   GLN  31           HA       GLN  31 -14.618  -1.319  -1.747
  700   1HB   GLN  31          1HB       GLN  31 -14.653  -4.341  -1.569
  701   2HB   GLN  31          2HB       GLN  31 -15.493  -3.369  -2.769
  702   1HG   GLN  31          1HG       GLN  31 -13.361  -2.595  -3.648
  703   2HG   GLN  31          2HG       GLN  31 -12.508  -3.541  -2.433
  704   1HE2  GLN  31          2HE2      GLN  31 -11.711  -5.355  -3.185
  705   2HE2  GLN  31          1HE2      GLN  31 -12.387  -6.331  -4.437
  706    H    ASP  32           H        ASP  32 -14.986  -3.727   0.805
  707    HA   ASP  32           HA       ASP  32 -17.787  -3.451   1.087
  708   1HB   ASP  32          1HB       ASP  32 -16.500  -5.412   1.908
  709   2HB   ASP  32          2HB       ASP  32 -15.763  -4.383   3.132
  710    H    LYS  33           H        LYS  33 -15.016  -1.825   2.377
  711    HA   LYS  33           HA       LYS  33 -16.314  -0.407   4.454
  712   1HB   LYS  33          1HB       LYS  33 -13.689   0.008   3.034
  713   2HB   LYS  33          2HB       LYS  33 -14.217   1.001   4.389
  714   1HG   LYS  33          1HG       LYS  33 -14.349  -1.036   5.777
  715   2HG   LYS  33          2HG       LYS  33 -13.727  -1.970   4.418
  716   1HD   LYS  33          1HD       LYS  33 -11.914  -1.472   5.916
  717   2HD   LYS  33          2HD       LYS  33 -11.698  -0.547   4.429
  718   1HE   LYS  33          1HE       LYS  33 -11.221   0.825   6.385
  719   2HE   LYS  33          2HE       LYS  33 -12.631   1.430   5.518
  720   1HZ   LYS  33          1HZ       LYS  33 -13.603  -0.357   7.378
  721   2HZ   LYS  33          2HZ       LYS  33 -12.432   0.543   8.203
  722   3HZ   LYS  33          3HZ       LYS  33 -13.715   1.330   7.432
  723    H    GLU  34           H        GLU  34 -15.784   0.265   1.047
  724    HA   GLU  34           HA       GLU  34 -17.477   2.642   1.355
  725   1HB   GLU  34          1HB       GLU  34 -14.898   2.570  -0.217
  726   2HB   GLU  34          2HB       GLU  34 -16.043   3.902  -0.213
  727   1HG   GLU  34          1HG       GLU  34 -14.557   2.894   2.202
  728   2HG   GLU  34          2HG       GLU  34 -14.098   4.294   1.237
  729    H    GLY  35           H        GLY  35 -15.829   0.651  -1.122
  730   1HA   GLY  35          1HA       GLY  35 -18.352   0.746  -2.662
  731   2HA   GLY  35          2HA       GLY  35 -17.353  -0.693  -2.556
  732    H    ILE  36           H        ILE  36 -14.874   0.065  -3.080
  733    HA   ILE  36           HA       ILE  36 -15.069   1.168  -5.795
  734    HB   ILE  36           HB       ILE  36 -12.524   1.813  -4.576
  735   1HG1  ILE  36          1HG1      ILE  36 -13.532   3.771  -3.245
  736   2HG1  ILE  36          2HG1      ILE  36 -15.027   2.844  -3.256
  737   1HG2  ILE  36          1HG2      ILE  36 -14.518   2.970  -6.354
  738   2HG2  ILE  36          2HG2      ILE  36 -13.696   4.157  -5.340
  739   3HG2  ILE  36          3HG2      ILE  36 -12.757   3.085  -6.383
  740   1HD1  ILE  36          1HD1      ILE  36 -13.232   0.990  -2.396
  741   2HD1  ILE  36          2HD1      ILE  36 -12.600   2.476  -1.687
  742   3HD1  ILE  36          3HD1      ILE  36 -14.259   1.975  -1.354
  743    HA   PRO  37           HA       PRO  37 -12.963  -2.538  -7.012
  744   1HB   PRO  37          1HB       PRO  37 -11.637  -0.685  -8.941
  745   2HB   PRO  37          2HB       PRO  37 -12.430  -2.235  -9.237
  746   1HG   PRO  37          1HG       PRO  37 -13.650   0.046  -9.857
  747   2HG   PRO  37          2HG       PRO  37 -14.559  -1.308  -9.158
  748   1HD   PRO  37          1HD       PRO  37 -13.657   1.233  -7.883
  749   2HD   PRO  37          2HD       PRO  37 -15.131   0.288  -7.598
  750    HA   PRO  38           HA       PRO  38  -9.176  -2.275  -4.701
  751   1HB   PRO  38          1HB       PRO  38  -7.977  -4.514  -5.802
  752   2HB   PRO  38          2HB       PRO  38  -9.118  -4.537  -4.457
  753   1HG   PRO  38          1HG       PRO  38  -9.599  -5.050  -7.361
  754   2HG   PRO  38          2HG       PRO  38 -10.273  -5.881  -5.948
  755   1HD   PRO  38          1HD       PRO  38 -11.708  -4.087  -7.324
  756   2HD   PRO  38          2HD       PRO  38 -11.835  -4.209  -5.556
  757    H    ASP  39           H        ASP  39  -9.110  -2.809  -8.193
  758    HA   ASP  39           HA       ASP  39  -6.408  -2.234  -8.635
  759   1HB   ASP  39          1HB       ASP  39  -7.848  -3.290 -10.321
  760   2HB   ASP  39          2HB       ASP  39  -8.763  -1.793 -10.483
  761    H    GLN  40           H        GLN  40  -9.222  -0.131  -8.351
  762    HA   GLN  40           HA       GLN  40  -8.026   2.205  -9.323
  763   1HB   GLN  40          1HB       GLN  40 -10.254   1.905  -7.312
  764   2HB   GLN  40          2HB       GLN  40  -9.839   3.395  -8.146
  765   1HG   GLN  40          1HG       GLN  40 -10.296   2.239 -10.300
  766   2HG   GLN  40          2HG       GLN  40 -10.866   0.852  -9.379
  767   1HE2  GLN  40          2HE2      GLN  40 -11.604   3.590  -7.681
  768   2HE2  GLN  40          1HE2      GLN  40 -13.226   3.820  -8.221
  769    H    GLN  41           H        GLN  41  -8.224   0.919  -6.014
  770    HA   GLN  41           HA       GLN  41  -7.118   3.064  -4.644
  771   1HB   GLN  41          1HB       GLN  41  -6.921   0.097  -4.145
  772   2HB   GLN  41          2HB       GLN  41  -6.230   1.281  -3.044
  773   1HG   GLN  41          1HG       GLN  41  -8.375   0.569  -2.236
  774   2HG   GLN  41          2HG       GLN  41  -8.457   2.258  -2.722
  775   1HE2  GLN  41          2HE2      GLN  41  -9.922  -0.713  -2.927
  776   2HE2  GLN  41          1HE2      GLN  41 -10.980  -0.405  -4.257
  777    H    ARG  42           H        ARG  42  -5.172   4.001  -4.645
  778    HA   ARG  42           HA       ARG  42  -3.053   2.778  -6.189
  779   1HB   ARG  42          1HB       ARG  42  -3.630   5.095  -6.686
  780   2HB   ARG  42          2HB       ARG  42  -3.282   5.549  -5.025
  781   1HG   ARG  42          1HG       ARG  42  -0.936   4.941  -5.349
  782   2HG   ARG  42          2HG       ARG  42  -1.288   4.490  -7.016
  783   1HD   ARG  42          1HD       ARG  42  -1.619   7.237  -5.818
  784   2HD   ARG  42          2HD       ARG  42  -0.311   6.726  -6.884
  785    HE   ARG  42           HE       ARG  42  -2.745   6.235  -8.173
  786   1HH1  ARG  42          1HH1      ARG  42  -0.808   8.924  -7.097
  787   2HH1  ARG  42          2HH1      ARG  42  -1.387   9.998  -8.326
  788   1HH2  ARG  42          1HH2      ARG  42  -3.512   7.642  -9.793
  789   2HH2  ARG  42          2HH2      ARG  42  -2.924   9.270  -9.858
  790    H    LEU  43           H        LEU  43  -1.387   1.752  -5.303
  791    HA   LEU  43           HA       LEU  43  -1.091   1.620  -2.458
  792   1HB   LEU  43          1HB       LEU  43   0.441   0.452  -4.762
  793   2HB   LEU  43          2HB       LEU  43   1.021   0.297  -3.117
  794    HG   LEU  43           HG       LEU  43  -1.041  -0.882  -2.497
  795   1HD1  LEU  43          1HD1      LEU  43  -1.746  -0.375  -5.366
  796   2HD1  LEU  43          2HD1      LEU  43  -2.466  -1.698  -4.449
  797   3HD1  LEU  43          3HD1      LEU  43  -2.691  -0.029  -3.918
  798   1HD2  LEU  43          1HD2      LEU  43   0.922  -2.138  -3.270
  799   2HD2  LEU  43          2HD2      LEU  43  -0.592  -2.953  -3.657
  800   3HD2  LEU  43          3HD2      LEU  43   0.288  -2.086  -4.915
  801    H    ILE  44           H        ILE  44   0.255   2.684  -1.158
  802    HA   ILE  44           HA       ILE  44   2.491   4.184  -2.287
  803    HB   ILE  44           HB       ILE  44   0.372   5.457  -0.556
  804   1HG1  ILE  44          1HG1      ILE  44   1.225   6.055  -3.398
  805   2HG1  ILE  44          2HG1      ILE  44  -0.241   5.193  -2.944
  806   1HG2  ILE  44          1HG2      ILE  44   3.016   6.492  -1.557
  807   2HG2  ILE  44          2HG2      ILE  44   1.741   7.527  -0.916
  808   3HG2  ILE  44          3HG2      ILE  44   2.491   6.310   0.117
  809   1HD1  ILE  44          1HD1      ILE  44  -0.112   7.699  -1.571
  810   2HD1  ILE  44          2HD1      ILE  44   0.085   7.935  -3.307
  811   3HD1  ILE  44          3HD1      ILE  44  -1.333   7.088  -2.687
  812    H    PHE  45           H        PHE  45   4.246   4.177  -0.999
  813    HA   PHE  45           HA       PHE  45   3.915   3.320   1.799
  814   1HB   PHE  45          1HB       PHE  45   6.045   2.391  -0.141
  815   2HB   PHE  45          2HB       PHE  45   6.022   2.021   1.580
  816    HD1  PHE  45           HD1      PHE  45   3.801   1.739  -1.409
  817    HD2  PHE  45           HD2      PHE  45   5.168   0.003   2.228
  818    HE1  PHE  45           HE1      PHE  45   2.440  -0.261  -1.857
  819    HE2  PHE  45           HE2      PHE  45   3.809  -2.000   1.786
  820    HZ   PHE  45           HZ       PHE  45   2.444  -2.134  -0.258
  821    H    ALA  46           H        ALA  46   5.305   4.243   3.309
  822    HA   ALA  46           HA       ALA  46   7.420   6.019   2.399
  823   1HB   ALA  46          1HB       ALA  46   6.088   7.816   2.359
  824   2HB   ALA  46          2HB       ALA  46   4.805   7.003   3.256
  825   3HB   ALA  46          3HB       ALA  46   6.161   7.730   4.119
  826    H    GLY  47           H        GLY  47   9.061   6.077   3.804
  827   1HA   GLY  47          1HA       GLY  47  10.311   5.680   5.686
  828   2HA   GLY  47          2HA       GLY  47   9.182   4.376   6.011
  829    H    LYS  48           H        LYS  48   8.781   4.559   8.128
  830    HA   LYS  48           HA       LYS  48   7.155   6.707   9.068
  831   1HB   LYS  48          1HB       LYS  48   6.903   4.393   9.878
  832   2HB   LYS  48          2HB       LYS  48   8.499   4.477  10.606
  833   1HG   LYS  48          1HG       LYS  48   6.794   4.782  12.287
  834   2HG   LYS  48          2HG       LYS  48   7.719   6.269  12.087
  835   1HD   LYS  48          1HD       LYS  48   5.941   7.186  10.677
  836   2HD   LYS  48          2HD       LYS  48   5.017   5.698  10.876
  837   1HE   LYS  48          1HE       LYS  48   4.201   7.432  12.378
  838   2HE   LYS  48          2HE       LYS  48   4.895   6.088  13.284
  839   1HZ   LYS  48          1HZ       LYS  48   6.644   8.338  12.623
  840   2HZ   LYS  48          2HZ       LYS  48   5.488   8.573  13.836
  841   3HZ   LYS  48          3HZ       LYS  48   6.637   7.340  13.990
  842    H    GLN  49           H        GLN  49   8.694   8.432   8.528
  843    HA   GLN  49           HA       GLN  49  11.097   8.755   9.991
  844   1HB   GLN  49          1HB       GLN  49   9.298  10.840   8.728
  845   2HB   GLN  49          2HB       GLN  49  10.932  11.131   9.303
  846   1HG   GLN  49          1HG       GLN  49  11.799   9.557   7.652
  847   2HG   GLN  49          2HG       GLN  49  10.159   9.257   7.078
  848   1HE2  GLN  49          2HE2      GLN  49   9.703  10.280   5.281
  849   2HE2  GLN  49          1HE2      GLN  49  10.303  11.826   4.799
  850    H    LEU  50           H        LEU  50  11.145   8.838  12.130
  851    HA   LEU  50           HA       LEU  50   9.016   9.240  13.834
  852   1HB   LEU  50          1HB       LEU  50  11.942   9.765  14.346
  853   2HB   LEU  50          2HB       LEU  50  10.717   9.708  15.596
  854    HG   LEU  50           HG       LEU  50  11.836   7.616  15.625
  855   1HD1  LEU  50          1HD1      LEU  50   9.313   7.629  15.740
  856   2HD1  LEU  50          2HD1      LEU  50   9.327   7.065  14.069
  857   3HD1  LEU  50          3HD1      LEU  50  10.068   6.087  15.337
  858   1HD2  LEU  50          1HD2      LEU  50  11.348   7.470  12.657
  859   2HD2  LEU  50          2HD2      LEU  50  12.903   7.680  13.463
  860   3HD2  LEU  50          3HD2      LEU  50  12.012   6.168  13.645
  861    H    GLU  51           H        GLU  51   7.877  11.033  12.911
  862    HA   GLU  51           HA       GLU  51   7.178  13.196  12.851
  863   1HB   GLU  51          1HB       GLU  51   8.987  13.380  15.264
  864   2HB   GLU  51          2HB       GLU  51   7.893  14.658  14.758
  865   1HG   GLU  51          1HG       GLU  51   6.912  13.387  16.551
  866   2HG   GLU  51          2HG       GLU  51   5.993  13.143  15.069

  No H/Q in entry =         866
  Start of MODEL   13
    1    H1   GLY  -1           H1       GLY  -1   2.105  -8.708 -16.589
    2    H2   GLY  -1           H2       GLY  -1   3.439  -8.784 -17.626
    3    H3   GLY  -1           H3       GLY  -1   3.393  -9.744 -16.233
    4   1HA   GLY  -1          1HA       GLY  -1   3.582  -6.784 -16.332
    5   2HA   GLY  -1          2HA       GLY  -1   4.868  -7.890 -15.874
    6    H    SER   0           H        SER   0   3.174  -5.683 -14.520
    7    HA   SER   0           HA       SER   0   1.844  -6.994 -12.358
    8   1HB   SER   0          1HB       SER   0   4.563  -5.770 -11.824
    9   2HB   SER   0          2HB       SER   0   3.425  -6.277 -10.580
   10    HG   SER   0           HG       SER   0   4.215  -8.197 -10.791
   11    H    MET   1           H        MET   1   3.208  -4.480 -10.840
   12    HA   MET   1           HA       MET   1   1.870  -2.280 -12.109
   13   1HB   MET   1          1HB       MET   1   0.417  -1.826 -10.081
   14   2HB   MET   1          2HB       MET   1  -0.092  -3.158 -11.109
   15   1HG   MET   1          1HG       MET   1   0.769  -4.767  -9.570
   16   2HG   MET   1          2HG       MET   1   1.522  -3.505  -8.597
   17   1HE   MET   1          1HE       MET   1   0.319  -1.567  -7.857
   18   2HE   MET   1          2HE       MET   1  -1.433  -1.368  -7.767
   19   3HE   MET   1          3HE       MET   1  -0.557  -2.098  -6.419
   20    H    GLN   2           H        GLN   2   3.238  -0.672 -11.842
   21    HA   GLN   2           HA       GLN   2   5.341  -0.643  -9.991
   22   1HB   GLN   2          1HB       GLN   2   5.678   1.689 -10.721
   23   2HB   GLN   2          2HB       GLN   2   5.453   0.593 -12.076
   24   1HG   GLN   2          1HG       GLN   2   3.095   1.309 -12.216
   25   2HG   GLN   2          2HG       GLN   2   3.398   2.465 -10.923
   26   1HE2  GLN   2          2HE2      GLN   2   6.161   2.237 -12.719
   27   2HE2  GLN   2          1HE2      GLN   2   5.909   3.569 -13.789
   28    H    ILE   3           H        ILE   3   5.488   0.004  -7.951
   29    HA   ILE   3           HA       ILE   3   3.121   1.144  -6.672
   30    HB   ILE   3           HB       ILE   3   4.185   0.528  -4.546
   31   1HG1  ILE   3          1HG1      ILE   3   6.388  -0.622  -6.270
   32   2HG1  ILE   3          2HG1      ILE   3   6.534   0.807  -5.255
   33   1HG2  ILE   3          1HG2      ILE   3   4.033  -1.667  -6.600
   34   2HG2  ILE   3          2HG2      ILE   3   4.122  -1.937  -4.859
   35   3HG2  ILE   3          3HG2      ILE   3   2.738  -1.091  -5.551
   36   1HD1  ILE   3          1HD1      ILE   3   5.587  -1.248  -3.596
   37   2HD1  ILE   3          2HD1      ILE   3   6.888  -1.937  -4.569
   38   3HD1  ILE   3          3HD1      ILE   3   7.182  -0.495  -3.596
   39    H    PHE   4           H        PHE   4   3.075   3.130  -5.772
   40    HA   PHE   4           HA       PHE   4   5.359   4.871  -6.244
   41   1HB   PHE   4          1HB       PHE   4   2.561   5.467  -5.252
   42   2HB   PHE   4          2HB       PHE   4   3.800   6.684  -5.523
   43    HD1  PHE   4           HD1      PHE   4   3.436   7.926  -7.401
   44    HD2  PHE   4           HD2      PHE   4   2.467   3.782  -7.472
   45    HE1  PHE   4           HE1      PHE   4   2.728   8.135  -9.748
   46    HE2  PHE   4           HE2      PHE   4   1.760   3.984  -9.820
   47    HZ   PHE   4           HZ       PHE   4   1.890   6.162 -10.960
   48    H    VAL   5           H        VAL   5   6.787   5.378  -4.697
   49    HA   VAL   5           HA       VAL   5   5.976   5.307  -1.888
   50    HB   VAL   5           HB       VAL   5   8.379   3.772  -2.877
   51   1HG1  VAL   5          1HG1      VAL   5   7.672   4.779  -0.319
   52   2HG1  VAL   5          2HG1      VAL   5   7.585   3.019  -0.271
   53   3HG1  VAL   5          3HG1      VAL   5   9.074   3.814  -0.779
   54   1HG2  VAL   5          1HG2      VAL   5   6.293   2.668  -3.535
   55   2HG2  VAL   5          2HG2      VAL   5   7.193   1.742  -2.334
   56   3HG2  VAL   5          3HG2      VAL   5   5.774   2.671  -1.849
   57    H    LYS   6           H        LYS   6   6.970   6.841  -0.689
   58    HA   LYS   6           HA       LYS   6   9.002   8.470  -2.019
   59   1HB   LYS   6          1HB       LYS   6   7.079   9.641  -1.023
   60   2HB   LYS   6          2HB       LYS   6   7.477   8.961   0.550
   61   1HG   LYS   6          1HG       LYS   6   9.581  10.174   0.568
   62   2HG   LYS   6          2HG       LYS   6   9.237  10.821  -1.037
   63   1HD   LYS   6          1HD       LYS   6   7.563  11.303   1.426
   64   2HD   LYS   6          2HD       LYS   6   8.743  12.434   0.763
   65   1HE   LYS   6          1HE       LYS   6   6.273  11.421  -0.641
   66   2HE   LYS   6          2HE       LYS   6   6.474  13.019   0.078
   67   1HZ   LYS   6          1HZ       LYS   6   8.147  11.957  -2.133
   68   2HZ   LYS   6          2HZ       LYS   6   6.818  12.983  -2.347
   69   3HZ   LYS   6          3HZ       LYS   6   8.180  13.526  -1.503
   70    H    THR   7           H        THR   7  11.085   8.092  -1.607
   71    HA   THR   7           HA       THR   7  11.923   6.221   0.335
   72    HB   THR   7           HB       THR   7  14.226   6.924  -0.233
   73    HG1  THR   7           HG1      THR   7  13.914   8.514  -2.254
   74   1HG2  THR   7          1HG2      THR   7  12.364   6.526  -2.576
   75   2HG2  THR   7          2HG2      THR   7  14.117   6.348  -2.644
   76   3HG2  THR   7          3HG2      THR   7  13.160   5.267  -1.631
   77    H    LEU   8           H        LEU   8  14.262   7.447   1.354
   78    HA   LEU   8           HA       LEU   8  13.119   8.760   3.649
   79   1HB   LEU   8          1HB       LEU   8  15.982   8.065   2.985
   80   2HB   LEU   8          2HB       LEU   8  15.439   8.709   4.522
   81    HG   LEU   8           HG       LEU   8  15.771   6.330   4.737
   82   1HD1  LEU   8          1HD1      LEU   8  14.798   6.234   2.103
   83   2HD1  LEU   8          2HD1      LEU   8  15.392   4.902   3.095
   84   3HD1  LEU   8          3HD1      LEU   8  13.677   5.309   3.099
   85   1HD2  LEU   8          1HD2      LEU   8  13.850   7.375   5.906
   86   2HD2  LEU   8          2HD2      LEU   8  12.815   6.861   4.575
   87   3HD2  LEU   8          3HD2      LEU   8  13.632   5.658   5.573
   88    H    THR   9           H        THR   9  15.457   9.603   1.110
   89    HA   THR   9           HA       THR   9  15.808  12.281   2.034
   90    HB   THR   9           HB       THR   9  16.987  12.660  -0.095
   91    HG1  THR   9           HG1      THR   9  16.549  11.413  -1.739
   92   1HG2  THR   9          1HG2      THR   9  17.625  10.173   1.469
   93   2HG2  THR   9          2HG2      THR   9  18.672  10.750   0.173
   94   3HG2  THR   9          3HG2      THR   9  18.371  11.767   1.582
   95    H    GLY  10           H        GLY  10  13.945  10.810  -0.620
   96   1HA   GLY  10          1HA       GLY  10  12.834  13.379  -1.373
   97   2HA   GLY  10          2HA       GLY  10  11.709  12.310  -0.550
   98    H    LYS  11           H        LYS  11  14.245  11.293  -2.767
   99    HA   LYS  11           HA       LYS  11  12.942  11.225  -5.171
  100   1HB   LYS  11          1HB       LYS  11  15.291  10.618  -4.910
  101   2HB   LYS  11          2HB       LYS  11  14.834   9.144  -4.066
  102   1HG   LYS  11          1HG       LYS  11  13.695   8.365  -6.113
  103   2HG   LYS  11          2HG       LYS  11  14.265   9.811  -6.946
  104   1HD   LYS  11          1HD       LYS  11  16.018   7.707  -5.681
  105   2HD   LYS  11          2HD       LYS  11  15.694   7.871  -7.406
  106   1HE   LYS  11          1HE       LYS  11  16.717  10.093  -7.386
  107   2HE   LYS  11          2HE       LYS  11  17.042   9.927  -5.663
  108   1HZ   LYS  11          1HZ       LYS  11  18.156   7.696  -6.709
  109   2HZ   LYS  11          2HZ       LYS  11  18.475   8.847  -7.907
  110   3HZ   LYS  11          3HZ       LYS  11  18.994   9.112  -6.318
  111    H    THR  12           H        THR  12  11.360  10.089  -6.107
  112    HA   THR  12           HA       THR  12   9.824   8.250  -4.479
  113    HB   THR  12           HB       THR  12   9.332   9.188  -7.311
  114    HG1  THR  12           HG1      THR  12   8.767  10.968  -6.319
  115   1HG2  THR  12          1HG2      THR  12   7.518   7.795  -5.339
  116   2HG2  THR  12          2HG2      THR  12   7.023   8.435  -6.906
  117   3HG2  THR  12          3HG2      THR  12   8.174   7.102  -6.821
  118    H    ILE  13           H        ILE  13   9.765   6.082  -4.677
  119    HA   ILE  13           HA       ILE  13  11.515   4.863  -6.686
  120    HB   ILE  13           HB       ILE  13  10.682   2.796  -5.089
  121   1HG1  ILE  13          1HG1      ILE  13  11.124   5.211  -3.327
  122   2HG1  ILE  13          2HG1      ILE  13   9.602   4.349  -3.527
  123   1HG2  ILE  13          1HG2      ILE  13  13.119   4.494  -5.195
  124   2HG2  ILE  13          2HG2      ILE  13  12.980   3.246  -3.951
  125   3HG2  ILE  13          3HG2      ILE  13  12.886   2.805  -5.659
  126   1HD1  ILE  13          1HD1      ILE  13  11.361   2.365  -2.806
  127   2HD1  ILE  13          2HD1      ILE  13  11.873   3.747  -1.836
  128   3HD1  ILE  13          3HD1      ILE  13  10.206   3.175  -1.746
  129    H    THR  14           H        THR  14  10.812   3.554  -8.230
  130    HA   THR  14           HA       THR  14   7.926   2.972  -8.332
  131    HB   THR  14           HB       THR  14   9.676   2.737 -10.752
  132    HG1  THR  14           HG1      THR  14   9.880   4.853 -10.949
  133   1HG2  THR  14          1HG2      THR  14   6.813   3.022 -10.096
  134   2HG2  THR  14          2HG2      THR  14   7.365   3.897 -11.524
  135   3HG2  THR  14          3HG2      THR  14   7.592   2.152 -11.419
  136    H    LEU  15           H        LEU  15   7.300   0.843  -8.387
  137    HA   LEU  15           HA       LEU  15   9.160  -1.225  -9.152
  138   1HB   LEU  15          1HB       LEU  15  10.064  -1.115  -7.048
  139   2HB   LEU  15          2HB       LEU  15   8.574  -0.564  -6.316
  140    HG   LEU  15           HG       LEU  15   7.666  -2.849  -6.439
  141   1HD1  LEU  15          1HD1      LEU  15  10.309  -2.467  -5.059
  142   2HD1  LEU  15          2HD1      LEU  15   8.689  -2.244  -4.395
  143   3HD1  LEU  15          3HD1      LEU  15   9.267  -3.864  -4.786
  144   1HD2  LEU  15          1HD2      LEU  15   9.868  -3.251  -8.206
  145   2HD2  LEU  15          2HD2      LEU  15   9.998  -4.365  -6.845
  146   3HD2  LEU  15          3HD2      LEU  15   8.532  -4.336  -7.823
  147    H    GLU  16           H        GLU  16   7.953  -2.527 -10.328
  148    HA   GLU  16           HA       GLU  16   5.116  -2.769  -9.953
  149   1HB   GLU  16          1HB       GLU  16   5.205  -4.248 -11.905
  150   2HB   GLU  16          2HB       GLU  16   6.085  -2.753 -12.200
  151   1HG   GLU  16          1HG       GLU  16   8.193  -3.914 -11.753
  152   2HG   GLU  16          2HG       GLU  16   7.304  -5.410 -11.481
  153    H    VAL  17           H        VAL  17   3.984  -4.430  -9.086
  154    HA   VAL  17           HA       VAL  17   5.252  -6.951  -8.443
  155    HB   VAL  17           HB       VAL  17   4.540  -6.840  -6.035
  156   1HG1  VAL  17          1HG1      VAL  17   3.154  -4.670  -6.648
  157   2HG1  VAL  17          2HG1      VAL  17   3.803  -4.942  -5.031
  158   3HG1  VAL  17          3HG1      VAL  17   4.653  -3.883  -6.157
  159   1HG2  VAL  17          1HG2      VAL  17   6.890  -6.536  -6.830
  160   2HG2  VAL  17          2HG2      VAL  17   6.628  -4.795  -6.741
  161   3HG2  VAL  17          3HG2      VAL  17   6.527  -5.778  -5.280
  162    H    GLU  18           H        GLU  18   3.820  -8.591  -8.452
  163    HA   GLU  18           HA       GLU  18   1.245  -8.248  -9.459
  164   1HB   GLU  18          1HB       GLU  18   2.297 -10.600  -7.878
  165   2HB   GLU  18          2HB       GLU  18   0.905 -10.612  -8.953
  166   1HG   GLU  18          1HG       GLU  18   2.371 -10.104 -10.846
  167   2HG   GLU  18          2HG       GLU  18   3.762 -10.116  -9.761
  168    HA   PRO  19           HA       PRO  19  -1.266  -6.954  -6.052
  169   1HB   PRO  19          1HB       PRO  19  -3.552  -8.383  -6.727
  170   2HB   PRO  19          2HB       PRO  19  -3.122  -6.793  -7.354
  171   1HG   PRO  19          1HG       PRO  19  -2.748  -9.479  -8.590
  172   2HG   PRO  19          2HG       PRO  19  -3.209  -7.948  -9.352
  173   1HD   PRO  19          1HD       PRO  19  -0.724  -8.915  -9.573
  174   2HD   PRO  19          2HD       PRO  19  -1.020  -7.173  -9.406
  175    H    SER  20           H        SER  20  -1.337 -10.366  -6.964
  176    HA   SER  20           HA       SER  20  -2.345 -11.361  -4.538
  177   1HB   SER  20          1HB       SER  20  -2.368 -12.653  -6.612
  178   2HB   SER  20          2HB       SER  20  -0.607 -12.718  -6.607
  179    HG   SER  20           HG       SER  20  -1.771 -13.598  -4.279
  180    H    ASP  21           H        ASP  21   0.862 -10.438  -5.540
  181    HA   ASP  21           HA       ASP  21   2.442 -11.826  -3.737
  182   1HB   ASP  21          1HB       ASP  21   3.329 -10.411  -5.555
  183   2HB   ASP  21          2HB       ASP  21   2.815  -8.973  -4.679
  184    H    THR  22           H        THR  22   2.810 -11.725  -1.608
  185    HA   THR  22           HA       THR  22   1.035 -10.387   0.107
  186    HB   THR  22           HB       THR  22   2.496 -11.127   1.942
  187    HG1  THR  22           HG1      THR  22   4.280 -12.599   0.723
  188   1HG2  THR  22          1HG2      THR  22   0.905 -12.665   0.614
  189   2HG2  THR  22          2HG2      THR  22   2.380 -13.370  -0.047
  190   3HG2  THR  22          3HG2      THR  22   2.086 -13.410   1.691
  191    H    ILE  23           H        ILE  23   1.238  -8.630   1.437
  192    HA   ILE  23           HA       ILE  23   2.575  -6.380   0.504
  193    HB   ILE  23           HB       ILE  23   1.655  -6.907   3.334
  194   1HG1  ILE  23          1HG1      ILE  23   0.222  -5.595   1.011
  195   2HG1  ILE  23          2HG1      ILE  23  -0.136  -7.191   1.661
  196   1HG2  ILE  23          1HG2      ILE  23   2.254  -4.322   1.903
  197   2HG2  ILE  23          2HG2      ILE  23   1.527  -4.455   3.505
  198   3HG2  ILE  23          3HG2      ILE  23   3.174  -5.026   3.234
  199   1HD1  ILE  23          1HD1      ILE  23  -0.231  -4.868   3.509
  200   2HD1  ILE  23          2HD1      ILE  23  -1.540  -5.082   2.344
  201   3HD1  ILE  23          3HD1      ILE  23  -1.177  -6.357   3.508
  202    H    GLU  24           H        GLU  24   3.588  -8.778   2.874
  203    HA   GLU  24           HA       GLU  24   5.811  -7.398   3.899
  204   1HB   GLU  24          1HB       GLU  24   6.594  -9.614   4.650
  205   2HB   GLU  24          2HB       GLU  24   4.902  -9.337   5.033
  206   1HG   GLU  24          1HG       GLU  24   4.243 -10.694   3.112
  207   2HG   GLU  24          2HG       GLU  24   5.941 -10.971   2.729
  208    H    ASN  25           H        ASN  25   5.430  -9.430   1.049
  209    HA   ASN  25           HA       ASN  25   8.219  -9.615   0.483
  210   1HB   ASN  25          1HB       ASN  25   5.797 -10.094  -1.256
  211   2HB   ASN  25          2HB       ASN  25   7.449 -10.430  -1.755
  212   1HD2  ASN  25          2HD2      ASN  25   7.380 -11.011   1.464
  213   2HD2  ASN  25          1HD2      ASN  25   7.027 -12.699   1.449
  214    H    VAL  26           H        VAL  26   5.588  -7.620  -0.867
  215    HA   VAL  26           HA       VAL  26   7.105  -6.279  -2.778
  216    HB   VAL  26           HB       VAL  26   5.410  -4.504  -2.698
  217   1HG1  VAL  26          1HG1      VAL  26   5.100  -7.036  -3.559
  218   2HG1  VAL  26          2HG1      VAL  26   3.729  -6.903  -2.459
  219   3HG1  VAL  26          3HG1      VAL  26   3.903  -5.763  -3.794
  220   1HG2  VAL  26          1HG2      VAL  26   5.099  -4.506  -0.240
  221   2HG2  VAL  26          2HG2      VAL  26   3.584  -4.544  -1.143
  222   3HG2  VAL  26          3HG2      VAL  26   4.202  -6.017  -0.395
  223    H    LYS  27           H        LYS  27   6.525  -5.459   0.628
  224    HA   LYS  27           HA       LYS  27   7.944  -3.015   0.592
  225   1HB   LYS  27          1HB       LYS  27   7.331  -4.916   2.860
  226   2HB   LYS  27          2HB       LYS  27   8.065  -3.335   3.081
  227   1HG   LYS  27          1HG       LYS  27   6.071  -2.295   2.081
  228   2HG   LYS  27          2HG       LYS  27   5.334  -3.892   1.946
  229   1HD   LYS  27          1HD       LYS  27   5.397  -4.165   4.349
  230   2HD   LYS  27          2HD       LYS  27   6.248  -2.632   4.529
  231   1HE   LYS  27          1HE       LYS  27   4.317  -1.449   3.615
  232   2HE   LYS  27          2HE       LYS  27   3.466  -2.980   3.422
  233   1HZ   LYS  27          1HZ       LYS  27   4.465  -2.087   6.056
  234   2HZ   LYS  27          2HZ       LYS  27   2.950  -1.609   5.476
  235   3HZ   LYS  27          3HZ       LYS  27   3.283  -3.249   5.716
  236    H    ALA  28           H        ALA  28   8.889  -6.345   1.203
  237    HA   ALA  28           HA       ALA  28  11.450  -5.970   2.198
  238   1HB   ALA  28          1HB       ALA  28  10.885  -8.198   0.288
  239   2HB   ALA  28          2HB       ALA  28  11.818  -8.212   1.784
  240   3HB   ALA  28          3HB       ALA  28  10.057  -8.135   1.844
  241    H    LYS  29           H        LYS  29  10.299  -5.931  -1.131
  242    HA   LYS  29           HA       LYS  29  12.842  -5.880  -2.373
  243   1HB   LYS  29          1HB       LYS  29  10.321  -4.651  -3.492
  244   2HB   LYS  29          2HB       LYS  29  11.678  -5.333  -4.379
  245   1HG   LYS  29          1HG       LYS  29   9.662  -6.836  -2.727
  246   2HG   LYS  29          2HG       LYS  29   9.811  -6.840  -4.487
  247   1HD   LYS  29          1HD       LYS  29  12.005  -7.886  -4.311
  248   2HD   LYS  29          2HD       LYS  29  11.897  -7.847  -2.553
  249   1HE   LYS  29          1HE       LYS  29  11.333 -10.049  -3.236
  250   2HE   LYS  29          2HE       LYS  29   9.837  -9.262  -2.741
  251   1HZ   LYS  29          1HZ       LYS  29  10.761  -9.568  -5.545
  252   2HZ   LYS  29          2HZ       LYS  29   9.582 -10.523  -4.795
  253   3HZ   LYS  29          3HZ       LYS  29   9.301  -8.875  -5.049
  254    H    ILE  30           H        ILE  30  10.639  -3.386  -1.214
  255    HA   ILE  30           HA       ILE  30  11.926  -1.142  -2.250
  256    HB   ILE  30           HB       ILE  30  10.532  -1.355   0.423
  257   1HG1  ILE  30          1HG1      ILE  30   9.435  -0.605  -2.298
  258   2HG1  ILE  30          2HG1      ILE  30   9.123  -2.121  -1.459
  259   1HG2  ILE  30          1HG2      ILE  30  11.377   0.973  -1.284
  260   2HG2  ILE  30          2HG2      ILE  30  10.074   1.113  -0.101
  261   3HG2  ILE  30          3HG2      ILE  30  11.700   0.680   0.428
  262   1HD1  ILE  30          1HD1      ILE  30   8.180  -0.644   0.416
  263   2HD1  ILE  30          2HD1      ILE  30   8.140   0.625  -0.808
  264   3HD1  ILE  30          3HD1      ILE  30   7.225  -0.863  -1.051
  265    H    GLN  31           H        GLN  31  12.630  -3.119   0.574
  266    HA   GLN  31           HA       GLN  31  14.546  -1.471   1.799
  267   1HB   GLN  31          1HB       GLN  31  14.449  -4.497   1.704
  268   2HB   GLN  31          2HB       GLN  31  15.382  -3.538   2.845
  269   1HG   GLN  31          1HG       GLN  31  13.313  -2.623   3.767
  270   2HG   GLN  31          2HG       GLN  31  12.381  -3.593   2.629
  271   1HE2  GLN  31          2HE2      GLN  31  11.554  -5.343   3.495
  272   2HE2  GLN  31          1HE2      GLN  31  12.248  -6.286   4.763
  273    H    ASP  32           H        ASP  32  14.749  -3.963  -0.681
  274    HA   ASP  32           HA       ASP  32  17.544  -3.793  -1.083
  275   1HB   ASP  32          1HB       ASP  32  15.342  -4.764  -2.913
  276   2HB   ASP  32          2HB       ASP  32  17.060  -4.975  -3.223
  277    H    LYS  33           H        LYS  33  14.752  -2.160  -2.322
  278    HA   LYS  33           HA       LYS  33  15.946  -0.793  -4.480
  279   1HB   LYS  33          1HB       LYS  33  13.469  -0.272  -2.838
  280   2HB   LYS  33          2HB       LYS  33  13.926   0.731  -4.209
  281   1HG   LYS  33          1HG       LYS  33  13.375  -2.228  -4.313
  282   2HG   LYS  33          2HG       LYS  33  12.253  -0.955  -4.797
  283   1HD   LYS  33          1HD       LYS  33  13.854  -0.212  -6.506
  284   2HD   LYS  33          2HD       LYS  33  14.947  -1.514  -6.036
  285   1HE   LYS  33          1HE       LYS  33  13.249  -3.162  -6.650
  286   2HE   LYS  33          2HE       LYS  33  12.155  -1.864  -7.118
  287   1HZ   LYS  33          1HZ       LYS  33  14.606  -1.513  -8.442
  288   2HZ   LYS  33          2HZ       LYS  33  14.097  -3.109  -8.678
  289   3HZ   LYS  33          3HZ       LYS  33  13.084  -1.825  -9.110
  290    H    GLU  34           H        GLU  34  15.924  -0.265  -1.063
  291    HA   GLU  34           HA       GLU  34  17.721   1.992  -1.397
  292   1HB   GLU  34          1HB       GLU  34  15.517   3.060  -1.315
  293   2HB   GLU  34          2HB       GLU  34  15.159   2.229   0.193
  294   1HG   GLU  34          1HG       GLU  34  15.786   4.533   0.598
  295   2HG   GLU  34          2HG       GLU  34  16.970   3.430   1.294
  296    H    GLY  35           H        GLY  35  15.831   0.973   1.447
  297   1HA   GLY  35          1HA       GLY  35  18.352   0.539   2.861
  298   2HA   GLY  35          2HA       GLY  35  17.279  -0.841   2.716
  299    H    ILE  36           H        ILE  36  14.845  -0.030   3.274
  300    HA   ILE  36           HA       ILE  36  15.073   0.959   6.006
  301    HB   ILE  36           HB       ILE  36  12.694   2.074   5.270
  302   1HG1  ILE  36          1HG1      ILE  36  13.218   3.458   3.251
  303   2HG1  ILE  36          2HG1      ILE  36  14.647   2.466   2.990
  304   1HG2  ILE  36          1HG2      ILE  36  15.352   2.962   5.986
  305   2HG2  ILE  36          2HG2      ILE  36  14.509   4.141   4.982
  306   3HG2  ILE  36          3HG2      ILE  36  13.777   3.580   6.486
  307   1HD1  ILE  36          1HD1      ILE  36  12.392   0.758   3.243
  308   2HD1  ILE  36          2HD1      ILE  36  12.025   2.030   2.079
  309   3HD1  ILE  36          3HD1      ILE  36  13.448   1.012   1.853
  310    HA   PRO  37           HA       PRO  37  12.749  -2.668   7.061
  311   1HB   PRO  37          1HB       PRO  37  11.573  -0.644   8.934
  312   2HB   PRO  37          2HB       PRO  37  12.073  -2.308   9.262
  313   1HG   PRO  37          1HG       PRO  37  13.647  -0.279   9.939
  314   2HG   PRO  37          2HG       PRO  37  14.337  -1.761   9.251
  315   1HD   PRO  37          1HD       PRO  37  13.999   0.916   8.018
  316   2HD   PRO  37          2HD       PRO  37  15.202  -0.342   7.678
  317    HA   PRO  38           HA       PRO  38   8.976  -2.202   4.758
  318   1HB   PRO  38          1HB       PRO  38   7.650  -4.373   5.801
  319   2HB   PRO  38          2HB       PRO  38   8.864  -4.469   4.524
  320   1HG   PRO  38          1HG       PRO  38   9.162  -4.948   7.461
  321   2HG   PRO  38          2HG       PRO  38   9.842  -5.862   6.104
  322   1HD   PRO  38          1HD       PRO  38  11.324  -4.116   7.499
  323   2HD   PRO  38          2HD       PRO  38  11.532  -4.314   5.746
  324    H    ASP  39           H        ASP  39   8.815  -2.790   8.250
  325    HA   ASP  39           HA       ASP  39   6.152  -2.090   8.675
  326   1HB   ASP  39          1HB       ASP  39   7.569  -3.174  10.375
  327   2HB   ASP  39          2HB       ASP  39   8.508  -1.693  10.536
  328    H    GLN  40           H        GLN  40   9.035  -0.106   8.384
  329    HA   GLN  40           HA       GLN  40   7.986   2.313   9.301
  330   1HB   GLN  40          1HB       GLN  40  10.135   1.751   7.262
  331   2HB   GLN  40          2HB       GLN  40   9.791   3.351   7.901
  332   1HG   GLN  40          1HG       GLN  40  10.488   2.752  10.065
  333   2HG   GLN  40          2HG       GLN  40  10.480   1.033   9.675
  334   1HE2  GLN  40          2HE2      GLN  40  11.679   2.261   6.990
  335   2HE2  GLN  40          1HE2      GLN  40  13.367   2.273   7.347
  336    H    GLN  41           H        GLN  41   8.044   0.937   6.024
  337    HA   GLN  41           HA       GLN  41   6.989   3.096   4.635
  338   1HB   GLN  41          1HB       GLN  41   6.724   0.130   4.172
  339   2HB   GLN  41          2HB       GLN  41   6.054   1.315   3.062
  340   1HG   GLN  41          1HG       GLN  41   8.180   0.550   2.251
  341   2HG   GLN  41          2HG       GLN  41   8.299   2.242   2.719
  342   1HE2  GLN  41          2HE2      GLN  41   9.696  -0.761   2.954
  343   2HE2  GLN  41          1HE2      GLN  41  10.767  -0.461   4.274
  344    H    ARG  42           H        ARG  42   5.089   4.087   4.649
  345    HA   ARG  42           HA       ARG  42   2.943   2.996   6.239
  346   1HB   ARG  42          1HB       ARG  42   3.201   5.660   4.856
  347   2HB   ARG  42          2HB       ARG  42   1.884   5.202   5.923
  348   1HG   ARG  42          1HG       ARG  42   3.451   4.987   7.780
  349   2HG   ARG  42          2HG       ARG  42   4.782   5.431   6.710
  350   1HD   ARG  42          1HD       ARG  42   3.731   7.604   6.306
  351   2HD   ARG  42          2HD       ARG  42   2.404   7.160   7.379
  352    HE   ARG  42           HE       ARG  42   4.802   6.897   8.792
  353   1HH1  ARG  42          1HH1      ARG  42   2.829   9.387   7.362
  354   2HH1  ARG  42          2HH1      ARG  42   3.331  10.609   8.484
  355   1HH2  ARG  42          1HH2      ARG  42   5.468   8.499  10.274
  356   2HH2  ARG  42          2HH2      ARG  42   4.831  10.104  10.138
  357    H    LEU  43           H        LEU  43   1.188   2.008   5.445
  358    HA   LEU  43           HA       LEU  43   0.917   1.650   2.612
  359   1HB   LEU  43          1HB       LEU  43  -0.752   0.767   4.953
  360   2HB   LEU  43          2HB       LEU  43  -1.222   0.448   3.296
  361    HG   LEU  43           HG       LEU  43   1.217  -0.589   4.731
  362   1HD1  LEU  43          1HD1      LEU  43   1.719   0.073   2.391
  363   2HD1  LEU  43          2HD1      LEU  43   1.872  -1.660   2.690
  364   3HD1  LEU  43          3HD1      LEU  43   0.453  -1.032   1.852
  365   1HD2  LEU  43          1HD2      LEU  43  -0.993  -1.688   5.140
  366   2HD2  LEU  43          2HD2      LEU  43  -1.052  -2.070   3.419
  367   3HD2  LEU  43          3HD2      LEU  43   0.230  -2.740   4.427
  368    H    ILE  44           H        ILE  44  -0.318   2.732   1.221
  369    HA   ILE  44           HA       ILE  44  -2.523   4.361   2.215
  370    HB   ILE  44           HB       ILE  44  -0.313   5.494   0.506
  371   1HG1  ILE  44          1HG1      ILE  44  -1.228   6.185   3.307
  372   2HG1  ILE  44          2HG1      ILE  44   0.248   5.318   2.901
  373   1HG2  ILE  44          1HG2      ILE  44  -2.664   6.218  -0.062
  374   2HG2  ILE  44          2HG2      ILE  44  -2.744   6.927   1.551
  375   3HG2  ILE  44          3HG2      ILE  44  -1.553   7.512   0.388
  376   1HD1  ILE  44          1HD1      ILE  44  -0.017   7.894   1.563
  377   2HD1  ILE  44          2HD1      ILE  44   0.061   7.990   3.322
  378   3HD1  ILE  44          3HD1      ILE  44   1.351   7.189   2.423
  379    H    PHE  45           H        PHE  45  -4.246   4.313   0.921
  380    HA   PHE  45           HA       PHE  45  -3.899   3.377  -1.849
  381   1HB   PHE  45          1HB       PHE  45  -6.112   2.582   0.057
  382   2HB   PHE  45          2HB       PHE  45  -6.014   2.121  -1.638
  383    HD1  PHE  45           HD1      PHE  45  -3.852   1.982   1.412
  384    HD2  PHE  45           HD2      PHE  45  -5.282   0.006  -2.075
  385    HE1  PHE  45           HE1      PHE  45  -2.578  -0.029   2.035
  386    HE2  PHE  45           HE2      PHE  45  -4.010  -2.007  -1.459
  387    HZ   PHE  45           HZ       PHE  45  -2.656  -2.027   0.597
  388    H    ALA  46           H        ALA  46  -5.275   4.282  -3.402
  389    HA   ALA  46           HA       ALA  46  -7.299   6.191  -2.535
  390   1HB   ALA  46          1HB       ALA  46  -6.251   8.091  -3.076
  391   2HB   ALA  46          2HB       ALA  46  -5.559   7.400  -4.544
  392   3HB   ALA  46          3HB       ALA  46  -4.768   7.139  -2.988
  393    H    GLY  47           H        GLY  47  -9.023   6.018  -3.801
  394   1HA   GLY  47          1HA       GLY  47 -10.372   5.348  -5.534
  395   2HA   GLY  47          2HA       GLY  47  -9.052   4.325  -6.074
  396    H    LYS  48           H        LYS  48 -11.025   6.229  -7.407
  397    HA   LYS  48           HA       LYS  48  -9.260   7.141  -9.452
  398   1HB   LYS  48          1HB       LYS  48 -11.577   6.381  -9.882
  399   2HB   LYS  48          2HB       LYS  48 -12.179   7.788  -9.023
  400   1HG   LYS  48          1HG       LYS  48 -12.301   8.151 -11.403
  401   2HG   LYS  48          2HG       LYS  48 -11.117   9.245 -10.688
  402   1HD   LYS  48          1HD       LYS  48  -9.310   7.755 -11.400
  403   2HD   LYS  48          2HD       LYS  48 -10.494   6.662 -12.116
  404   1HE   LYS  48          1HE       LYS  48  -9.478   8.085 -13.814
  405   2HE   LYS  48          2HE       LYS  48 -11.203   8.417 -13.654
  406   1HZ   LYS  48          1HZ       LYS  48  -9.241  10.025 -12.156
  407   2HZ   LYS  48          2HZ       LYS  48  -9.558  10.373 -13.780
  408   3HZ   LYS  48          3HZ       LYS  48 -10.809  10.436 -12.642
  409    H    GLN  49           H        GLN  49  -7.873   8.436  -8.044
  410    HA   GLN  49           HA       GLN  49  -8.801  10.857  -6.904
  411   1HB   GLN  49          1HB       GLN  49  -6.035  10.104  -7.879
  412   2HB   GLN  49          2HB       GLN  49  -6.407  11.501  -6.883
  413   1HG   GLN  49          1HG       GLN  49  -6.823   8.628  -6.090
  414   2HG   GLN  49          2HG       GLN  49  -5.482   9.651  -5.582
  415   1HE2  GLN  49          2HE2      GLN  49  -5.698  10.440  -3.629
  416   2HE2  GLN  49          1HE2      GLN  49  -7.182  10.840  -2.843
  417    H    LEU  50           H        LEU  50  -9.974  12.084  -8.254
  418    HA   LEU  50           HA       LEU  50  -9.849  12.419 -10.938
  419   1HB   LEU  50          1HB       LEU  50 -10.443  14.580  -8.918
  420   2HB   LEU  50          2HB       LEU  50 -10.830  14.671 -10.622
  421    HG   LEU  50           HG       LEU  50 -12.843  14.103  -9.545
  422   1HD1  LEU  50          1HD1      LEU  50 -12.140  12.701 -11.553
  423   2HD1  LEU  50          2HD1      LEU  50 -11.843  11.404 -10.393
  424   3HD1  LEU  50          3HD1      LEU  50 -13.460  12.089 -10.558
  425   1HD2  LEU  50          1HD2      LEU  50 -11.305  13.116  -7.529
  426   2HD2  LEU  50          2HD2      LEU  50 -13.055  12.938  -7.653
  427   3HD2  LEU  50          3HD2      LEU  50 -11.995  11.643  -8.213
  428    H    GLU  51           H        GLU  51  -7.614  12.247 -11.491
  429    HA   GLU  51           HA       GLU  51  -5.624  13.068 -12.228
  430   1HB   GLU  51          1HB       GLU  51  -7.092  14.635 -13.435
  431   2HB   GLU  51          2HB       GLU  51  -7.054  15.728 -12.061
  432   1HG   GLU  51          1HG       GLU  51  -5.547  16.500 -13.771
  433   2HG   GLU  51          2HG       GLU  51  -4.633  15.991 -12.352
  434    H1   GLY  -1           H1       GLY  -1  -2.034  -8.660  16.630
  435    H2   GLY  -1           H2       GLY  -1  -3.363  -8.728  17.673
  436    H3   GLY  -1           H3       GLY  -1  -3.326  -9.698  16.288
  437   1HA   GLY  -1          1HA       GLY  -1  -3.512  -6.736  16.368
  438   2HA   GLY  -1          2HA       GLY  -1  -4.800  -7.845  15.923
  439    H    SER   0           H        SER   0  -3.121  -5.647  14.542
  440    HA   SER   0           HA       SER   0  -1.795  -6.972  12.388
  441   1HB   SER   0          1HB       SER   0  -4.525  -5.775  11.855
  442   2HB   SER   0          2HB       SER   0  -3.387  -6.279  10.608
  443    HG   SER   0           HG       SER   0  -4.166  -8.201  10.834
  444    H    MET   1           H        MET   1  -3.238  -4.451  10.903
  445    HA   MET   1           HA       MET   1  -1.884  -2.241  12.117
  446   1HB   MET   1          1HB       MET   1  -0.451  -1.829  10.042
  447   2HB   MET   1          2HB       MET   1   0.090  -3.086  11.145
  448   1HG   MET   1          1HG       MET   1  -0.803  -4.796   9.699
  449   2HG   MET   1          2HG       MET   1  -1.481  -3.575   8.625
  450   1HE   MET   1          1HE       MET   1  -0.174  -1.706   7.844
  451   2HE   MET   1          2HE       MET   1   1.583  -1.597   7.733
  452   3HE   MET   1          3HE       MET   1   0.664  -2.378   6.445
  453    H    GLN   2           H        GLN   2  -3.272  -0.643  11.823
  454    HA   GLN   2           HA       GLN   2  -5.362  -0.654   9.958
  455   1HB   GLN   2          1HB       GLN   2  -5.738   1.676  10.651
  456   2HB   GLN   2          2HB       GLN   2  -5.482   0.620  12.030
  457   1HG   GLN   2          1HG       GLN   2  -3.141   1.386  12.140
  458   2HG   GLN   2          2HG       GLN   2  -3.472   2.499  10.817
  459   1HE2  GLN   2          2HE2      GLN   2  -6.239   2.312  12.576
  460   2HE2  GLN   2          1HE2      GLN   2  -6.003   3.660  13.629
  461    H    ILE   3           H        ILE   3  -5.514  -0.016   7.915
  462    HA   ILE   3           HA       ILE   3  -3.134   1.080   6.624
  463    HB   ILE   3           HB       ILE   3  -4.238   0.454   4.508
  464   1HG1  ILE   3          1HG1      ILE   3  -6.394  -0.690   6.289
  465   2HG1  ILE   3          2HG1      ILE   3  -6.570   0.727   5.263
  466   1HG2  ILE   3          1HG2      ILE   3  -4.031  -1.715   6.581
  467   2HG2  ILE   3          2HG2      ILE   3  -4.142  -2.003   4.845
  468   3HG2  ILE   3          3HG2      ILE   3  -2.756  -1.137   5.508
  469   1HD1  ILE   3          1HD1      ILE   3  -5.646  -1.359   3.618
  470   2HD1  ILE   3          2HD1      ILE   3  -6.944  -2.016   4.615
  471   3HD1  ILE   3          3HD1      ILE   3  -7.231  -0.587   3.620
  472    H    PHE   4           H        PHE   4  -3.040   3.086   5.808
  473    HA   PHE   4           HA       PHE   4  -5.329   4.841   6.194
  474   1HB   PHE   4          1HB       PHE   4  -2.491   5.428   5.309
  475   2HB   PHE   4          2HB       PHE   4  -3.730   6.647   5.567
  476    HD1  PHE   4           HD1      PHE   4  -3.397   7.860   7.463
  477    HD2  PHE   4           HD2      PHE   4  -2.468   3.707   7.508
  478    HE1  PHE   4           HE1      PHE   4  -2.734   8.038   9.825
  479    HE2  PHE   4           HE2      PHE   4  -1.808   3.877   9.872
  480    HZ   PHE   4           HZ       PHE   4  -1.940   6.045  11.033
  481    H    VAL   5           H        VAL   5  -6.728   5.231   4.588
  482    HA   VAL   5           HA       VAL   5  -5.762   5.468   1.865
  483    HB   VAL   5           HB       VAL   5  -6.188   3.247   1.569
  484   1HG1  VAL   5          1HG1      VAL   5  -7.869   4.864   0.299
  485   2HG1  VAL   5          2HG1      VAL   5  -7.898   3.113   0.089
  486   3HG1  VAL   5          3HG1      VAL   5  -9.049   3.889   1.176
  487   1HG2  VAL   5          1HG2      VAL   5  -7.706   3.509   3.967
  488   2HG2  VAL   5          2HG2      VAL   5  -8.633   2.587   2.781
  489   3HG2  VAL   5          3HG2      VAL   5  -7.012   2.063   3.235
  490    H    LYS   6           H        LYS   6  -6.776   7.011   0.795
  491    HA   LYS   6           HA       LYS   6  -8.977   8.396   2.060
  492   1HB   LYS   6          1HB       LYS   6  -7.125   9.654   1.038
  493   2HB   LYS   6          2HB       LYS   6  -7.516   8.960  -0.528
  494   1HG   LYS   6          1HG       LYS   6  -9.686  10.076  -0.489
  495   2HG   LYS   6          2HG       LYS   6  -9.302  10.767   1.090
  496   1HD   LYS   6          1HD       LYS   6  -7.764  11.257  -1.461
  497   2HD   LYS   6          2HD       LYS   6  -8.923  12.370  -0.734
  498   1HE   LYS   6          1HE       LYS   6  -6.357  11.411   0.529
  499   2HE   LYS   6          2HE       LYS   6  -6.623  12.997  -0.194
  500   1HZ   LYS   6          1HZ       LYS   6  -8.178  11.949   2.105
  501   2HZ   LYS   6          2HZ       LYS   6  -6.824  12.950   2.261
  502   3HZ   LYS   6          3HZ       LYS   6  -8.211  13.521   1.482
  503    H    THR   7           H        THR   7 -11.068   8.128   1.580
  504    HA   THR   7           HA       THR   7 -11.886   6.158  -0.301
  505    HB   THR   7           HB       THR   7 -14.195   6.858   0.259
  506    HG1  THR   7           HG1      THR   7 -13.883   8.478   2.259
  507   1HG2  THR   7          1HG2      THR   7 -12.318   6.490   2.595
  508   2HG2  THR   7          2HG2      THR   7 -14.072   6.328   2.686
  509   3HG2  THR   7          3HG2      THR   7 -13.136   5.223   1.679
  510    H    LEU   8           H        LEU   8 -14.258   7.424  -1.295
  511    HA   LEU   8           HA       LEU   8 -13.120   8.680  -3.631
  512   1HB   LEU   8          1HB       LEU   8 -15.994   8.055  -2.941
  513   2HB   LEU   8          2HB       LEU   8 -15.429   8.623  -4.499
  514    HG   LEU   8           HG       LEU   8 -15.818   6.250  -4.630
  515   1HD1  LEU   8          1HD1      LEU   8 -13.844   7.194  -5.805
  516   2HD1  LEU   8          2HD1      LEU   8 -12.849   6.680  -4.444
  517   3HD1  LEU   8          3HD1      LEU   8 -13.701   5.481  -5.417
  518   1HD2  LEU   8          1HD2      LEU   8 -14.943   6.220  -1.981
  519   2HD2  LEU   8          2HD2      LEU   8 -15.483   4.853  -2.955
  520   3HD2  LEU   8          3HD2      LEU   8 -13.771   5.268  -2.891
  521    H    THR   9           H        THR   9 -15.459   9.574  -1.108
  522    HA   THR   9           HA       THR   9 -15.790  12.241  -2.053
  523    HB   THR   9           HB       THR   9 -16.933  12.660   0.089
  524    HG1  THR   9           HG1      THR   9 -16.519  11.421   1.748
  525   1HG2  THR   9          1HG2      THR   9 -17.610  10.158  -1.434
  526   2HG2  THR   9          2HG2      THR   9 -18.631  10.749  -0.122
  527   3HG2  THR   9          3HG2      THR   9 -18.354  11.752  -1.547
  528    H    GLY  10           H        GLY  10 -13.894  10.794   0.588
  529   1HA   GLY  10          1HA       GLY  10 -12.743  13.370   1.269
  530   2HA   GLY  10          2HA       GLY  10 -11.644  12.257   0.471
  531    H    LYS  11           H        LYS  11 -14.178  11.311   2.711
  532    HA   LYS  11           HA       LYS  11 -12.867  11.306   5.116
  533   1HB   LYS  11          1HB       LYS  11 -15.215  10.726   4.926
  534   2HB   LYS  11          2HB       LYS  11 -14.811   9.249   4.061
  535   1HG   LYS  11          1HG       LYS  11 -13.610   8.458   6.089
  536   2HG   LYS  11          2HG       LYS  11 -14.199   9.888   6.938
  537   1HD   LYS  11          1HD       LYS  11 -15.922   7.763   5.666
  538   2HD   LYS  11          2HD       LYS  11 -15.596   7.926   7.391
  539   1HE   LYS  11          1HE       LYS  11 -16.647  10.139   7.370
  540   2HE   LYS  11          2HE       LYS  11 -16.989   9.955   5.652
  541   1HZ   LYS  11          1HZ       LYS  11 -18.058   7.717   6.719
  542   2HZ   LYS  11          2HZ       LYS  11 -18.372   8.860   7.925
  543   3HZ   LYS  11          3HZ       LYS  11 -18.923   9.122   6.346
  544    H    THR  12           H        THR  12 -11.266  10.220   6.043
  545    HA   THR  12           HA       THR  12  -9.764   8.286   4.509
  546    HB   THR  12           HB       THR  12  -9.317   9.205   7.353
  547    HG1  THR  12           HG1      THR  12  -8.776  11.020   6.395
  548   1HG2  THR  12          1HG2      THR  12  -7.499   7.845   5.363
  549   2HG2  THR  12          2HG2      THR  12  -6.987   8.481   6.925
  550   3HG2  THR  12          3HG2      THR  12  -8.139   7.149   6.852
  551    H    ILE  13           H        ILE  13  -9.423   6.104   5.099
  552    HA   ILE  13           HA       ILE  13 -11.250   5.090   7.171
  553    HB   ILE  13           HB       ILE  13 -11.567   3.051   5.718
  554   1HG1  ILE  13          1HG1      ILE  13 -10.572   4.929   3.563
  555   2HG1  ILE  13          2HG1      ILE  13  -9.678   3.545   4.177
  556   1HG2  ILE  13          1HG2      ILE  13 -12.729   5.730   5.402
  557   2HG2  ILE  13          2HG2      ILE  13 -13.067   4.602   4.086
  558   3HG2  ILE  13          3HG2      ILE  13 -13.506   4.180   5.741
  559   1HD1  ILE  13          1HD1      ILE  13 -11.681   2.149   3.459
  560   2HD1  ILE  13          2HD1      ILE  13 -12.184   3.573   2.547
  561   3HD1  ILE  13          3HD1      ILE  13 -10.638   2.801   2.194
  562    H    THR  14           H        THR  14 -10.331   3.908   8.648
  563    HA   THR  14           HA       THR  14  -7.622   2.901   8.246
  564    HB   THR  14           HB       THR  14  -7.996   2.250  10.766
  565    HG1  THR  14           HG1      THR  14  -9.625   4.502  10.861
  566   1HG2  THR  14          1HG2      THR  14  -6.684   4.251   9.513
  567   2HG2  THR  14          2HG2      THR  14  -7.799   5.178  10.519
  568   3HG2  THR  14          3HG2      THR  14  -6.694   4.021  11.261
  569    H    LEU  15           H        LEU  15  -7.066   0.725   8.535
  570    HA   LEU  15           HA       LEU  15  -9.051  -1.248   9.148
  571   1HB   LEU  15          1HB       LEU  15  -9.663  -0.572   6.847
  572   2HB   LEU  15          2HB       LEU  15  -8.061  -1.012   6.305
  573    HG   LEU  15           HG       LEU  15 -10.029  -2.977   7.468
  574   1HD1  LEU  15          1HD1      LEU  15  -9.516  -2.045   4.673
  575   2HD1  LEU  15          2HD1      LEU  15 -10.045  -3.698   4.979
  576   3HD1  LEU  15          3HD1      LEU  15 -11.052  -2.342   5.487
  577   1HD2  LEU  15          1HD2      LEU  15  -7.272  -3.142   6.386
  578   2HD2  LEU  15          2HD2      LEU  15  -8.037  -4.053   7.689
  579   3HD2  LEU  15          3HD2      LEU  15  -8.393  -4.453   6.008
  580    H    GLU  16           H        GLU  16  -7.890  -2.609  10.333
  581    HA   GLU  16           HA       GLU  16  -5.060  -2.908   9.995
  582   1HB   GLU  16          1HB       GLU  16  -5.251  -4.504  11.888
  583   2HB   GLU  16          2HB       GLU  16  -5.963  -2.932  12.228
  584   1HG   GLU  16          1HG       GLU  16  -8.184  -3.835  11.799
  585   2HG   GLU  16          2HG       GLU  16  -7.478  -5.409  11.437
  586    H    VAL  17           H        VAL  17  -3.927  -4.567   9.160
  587    HA   VAL  17           HA       VAL  17  -5.156  -7.074   8.440
  588    HB   VAL  17           HB       VAL  17  -4.230  -6.798   6.020
  589   1HG1  VAL  17          1HG1      VAL  17  -6.786  -6.331   7.213
  590   2HG1  VAL  17          2HG1      VAL  17  -6.587  -5.293   5.802
  591   3HG1  VAL  17          3HG1      VAL  17  -6.399  -7.039   5.644
  592   1HG2  VAL  17          1HG2      VAL  17  -3.533  -4.339   6.893
  593   2HG2  VAL  17          2HG2      VAL  17  -3.822  -4.744   5.202
  594   3HG2  VAL  17          3HG2      VAL  17  -5.100  -3.997   6.159
  595    H    GLU  18           H        GLU  18  -3.704  -8.675   8.489
  596    HA   GLU  18           HA       GLU  18  -1.116  -8.266   9.453
  597   1HB   GLU  18          1HB       GLU  18  -2.178 -10.677   7.971
  598   2HB   GLU  18          2HB       GLU  18  -0.760 -10.644   9.011
  599   1HG   GLU  18          1HG       GLU  18  -2.167 -10.115  10.928
  600   2HG   GLU  18          2HG       GLU  18  -3.591 -10.123   9.890
  601    HA   PRO  19           HA       PRO  19   1.302  -6.984   5.967
  602   1HB   PRO  19          1HB       PRO  19   3.591  -8.447   6.636
  603   2HB   PRO  19          2HB       PRO  19   3.216  -6.812   7.173
  604   1HG   PRO  19          1HG       PRO  19   2.822  -9.405   8.587
  605   2HG   PRO  19          2HG       PRO  19   3.311  -7.832   9.240
  606   1HD   PRO  19          1HD       PRO  19   0.826  -8.742   9.582
  607   2HD   PRO  19          2HD       PRO  19   1.127  -7.022   9.253
  608    H    SER  20           H        SER  20   1.362 -10.379   6.933
  609    HA   SER  20           HA       SER  20   2.326 -11.429   4.512
  610   1HB   SER  20          1HB       SER  20   2.360 -12.683   6.609
  611   2HB   SER  20          2HB       SER  20   0.599 -12.727   6.627
  612    HG   SER  20           HG       SER  20   1.723 -13.662   4.302
  613    H    ASP  21           H        ASP  21  -0.869 -10.479   5.550
  614    HA   ASP  21           HA       ASP  21  -2.469 -11.874   3.768
  615   1HB   ASP  21          1HB       ASP  21  -3.342 -10.456   5.590
  616   2HB   ASP  21          2HB       ASP  21  -2.832  -9.018   4.710
  617    H    THR  22           H        THR  22  -2.841 -11.786   1.639
  618    HA   THR  22           HA       THR  22  -1.088 -10.448  -0.091
  619    HB   THR  22           HB       THR  22  -2.575 -11.182  -1.913
  620    HG1  THR  22           HG1      THR  22  -4.324 -12.673  -0.650
  621   1HG2  THR  22          1HG2      THR  22  -0.950 -12.713  -0.621
  622   2HG2  THR  22          2HG2      THR  22  -2.407 -13.430   0.068
  623   3HG2  THR  22          3HG2      THR  22  -2.147 -13.465  -1.676
  624    H    ILE  23           H        ILE  23  -1.292  -8.687  -1.409
  625    HA   ILE  23           HA       ILE  23  -2.624  -6.439  -0.472
  626    HB   ILE  23           HB       ILE  23  -1.718  -6.965  -3.307
  627   1HG1  ILE  23          1HG1      ILE  23  -0.268  -5.658  -0.993
  628   2HG1  ILE  23          2HG1      ILE  23   0.077  -7.258  -1.640
  629   1HG2  ILE  23          1HG2      ILE  23  -2.291  -4.376  -1.873
  630   2HG2  ILE  23          2HG2      ILE  23  -1.589  -4.517  -3.483
  631   3HG2  ILE  23          3HG2      ILE  23  -3.235  -5.077  -3.188
  632   1HD1  ILE  23          1HD1      ILE  23   0.181  -4.924  -3.479
  633   2HD1  ILE  23          2HD1      ILE  23   1.501  -5.178  -2.336
  634   3HD1  ILE  23          3HD1      ILE  23   1.097  -6.431  -3.508
  635    H    GLU  24           H        GLU  24  -3.652  -8.848  -2.819
  636    HA   GLU  24           HA       GLU  24  -5.879  -7.472  -3.845
  637   1HB   GLU  24          1HB       GLU  24  -6.661  -9.685  -4.590
  638   2HB   GLU  24          2HB       GLU  24  -4.963  -9.428  -4.959
  639   1HG   GLU  24          1HG       GLU  24  -4.335 -10.778  -3.025
  640   2HG   GLU  24          2HG       GLU  24  -6.038 -11.035  -2.652
  641    H    ASN  25           H        ASN  25  -5.483  -9.497  -0.990
  642    HA   ASN  25           HA       ASN  25  -8.267  -9.672  -0.402
  643   1HB   ASN  25          1HB       ASN  25  -5.834 -10.148   1.321
  644   2HB   ASN  25          2HB       ASN  25  -7.483 -10.478   1.834
  645   1HD2  ASN  25          2HD2      ASN  25  -7.442 -11.074  -1.383
  646   2HD2  ASN  25          1HD2      ASN  25  -7.092 -12.762  -1.364
  647    H    VAL  26           H        VAL  26  -5.622  -7.681   0.932
  648    HA   VAL  26           HA       VAL  26  -7.127  -6.327   2.840
  649    HB   VAL  26           HB       VAL  26  -5.429  -4.552   2.739
  650   1HG1  VAL  26          1HG1      VAL  26  -5.113  -7.100   3.597
  651   2HG1  VAL  26          2HG1      VAL  26  -3.728  -6.931   2.518
  652   3HG1  VAL  26          3HG1      VAL  26  -3.942  -5.807   3.860
  653   1HG2  VAL  26          1HG2      VAL  26  -5.127  -4.570   0.282
  654   2HG2  VAL  26          2HG2      VAL  26  -3.607  -4.613   1.177
  655   3HG2  VAL  26          3HG2      VAL  26  -4.239  -6.086   0.440
  656    H    LYS  27           H        LYS  27  -6.571  -5.538  -0.576
  657    HA   LYS  27           HA       LYS  27  -7.984  -3.088  -0.551
  658   1HB   LYS  27          1HB       LYS  27  -7.376  -5.009  -2.801
  659   2HB   LYS  27          2HB       LYS  27  -8.130  -3.440  -3.039
  660   1HG   LYS  27          1HG       LYS  27  -6.143  -2.364  -2.065
  661   2HG   LYS  27          2HG       LYS  27  -5.386  -3.949  -1.913
  662   1HD   LYS  27          1HD       LYS  27  -5.464  -4.256  -4.314
  663   2HD   LYS  27          2HD       LYS  27  -6.327  -2.731  -4.506
  664   1HE   LYS  27          1HE       LYS  27  -4.398  -1.524  -3.616
  665   2HE   LYS  27          2HE       LYS  27  -3.536  -3.046  -3.412
  666   1HZ   LYS  27          1HZ       LYS  27  -4.556  -2.177  -6.048
  667   2HZ   LYS  27          2HZ       LYS  27  -3.034  -1.702  -5.482
  668   3HZ   LYS  27          3HZ       LYS  27  -3.377  -3.343  -5.709
  669    H    ALA  28           H        ALA  28  -8.943  -6.424  -1.115
  670    HA   ALA  28           HA       ALA  28 -11.514  -6.051  -2.088
  671   1HB   ALA  28          1HB       ALA  28 -11.889  -8.286  -1.638
  672   2HB   ALA  28          2HB       ALA  28 -10.938  -8.255  -0.153
  673   3HB   ALA  28          3HB       ALA  28 -10.128  -8.219  -1.719
  674    H    LYS  29           H        LYS  29 -10.308  -5.951   1.214
  675    HA   LYS  29           HA       LYS  29 -12.802  -5.890   2.541
  676   1HB   LYS  29          1HB       LYS  29 -10.350  -4.460   3.542
  677   2HB   LYS  29          2HB       LYS  29 -11.587  -5.298   4.469
  678   1HG   LYS  29          1HG       LYS  29  -9.617  -6.660   2.652
  679   2HG   LYS  29          2HG       LYS  29  -9.400  -6.463   4.393
  680   1HD   LYS  29          1HD       LYS  29 -11.488  -7.714   4.772
  681   2HD   LYS  29          2HD       LYS  29 -11.636  -7.957   3.031
  682   1HE   LYS  29          1HE       LYS  29  -9.643  -9.258   2.964
  683   2HE   LYS  29          2HE       LYS  29  -9.247  -8.843   4.630
  684   1HZ   LYS  29          1HZ       LYS  29 -11.812 -10.038   4.471
  685   2HZ   LYS  29          2HZ       LYS  29 -10.648 -11.044   3.766
  686   3HZ   LYS  29          3HZ       LYS  29 -10.460 -10.522   5.363
  687    H    ILE  30           H        ILE  30 -10.634  -3.395   1.314
  688    HA   ILE  30           HA       ILE  30 -11.921  -1.123   2.230
  689    HB   ILE  30           HB       ILE  30 -10.532  -1.496  -0.426
  690   1HG1  ILE  30          1HG1      ILE  30  -9.469  -0.552   2.247
  691   2HG1  ILE  30          2HG1      ILE  30  -9.134  -2.110   1.503
  692   1HG2  ILE  30          1HG2      ILE  30 -11.389   0.954   1.093
  693   2HG2  ILE  30          2HG2      ILE  30 -10.094   1.002  -0.103
  694   3HG2  ILE  30          3HG2      ILE  30 -11.721   0.526  -0.586
  695   1HD1  ILE  30          1HD1      ILE  30  -8.216  -0.691  -0.459
  696   2HD1  ILE  30          2HD1      ILE  30  -8.142   0.595   0.747
  697   3HD1  ILE  30          3HD1      ILE  30  -7.245  -0.902   0.999
  698    H    GLN  31           H        GLN  31 -12.669  -3.201  -0.510
  699    HA   GLN  31           HA       GLN  31 -14.590  -1.583  -1.768
  700   1HB   GLN  31          1HB       GLN  31 -14.498  -4.606  -1.584
  701   2HB   GLN  31          2HB       GLN  31 -15.444  -3.681  -2.741
  702   1HG   GLN  31          1HG       GLN  31 -13.383  -2.789  -3.708
  703   2HG   GLN  31          2HG       GLN  31 -12.442  -3.736  -2.561
  704   1HE2  GLN  31          2HE2      GLN  31 -11.618  -5.491  -3.417
  705   2HE2  GLN  31          1HE2      GLN  31 -12.335  -6.465  -4.647
  706    H    ASP  32           H        ASP  32 -14.807  -4.021   0.771
  707    HA   ASP  32           HA       ASP  32 -17.600  -3.795   1.174
  708   1HB   ASP  32          1HB       ASP  32 -15.439  -4.756   3.056
  709   2HB   ASP  32          2HB       ASP  32 -17.166  -4.992   3.294
  710    H    LYS  33           H        LYS  33 -14.781  -2.183   2.371
  711    HA   LYS  33           HA       LYS  33 -15.923  -0.786   4.531
  712   1HB   LYS  33          1HB       LYS  33 -13.479  -0.305   2.832
  713   2HB   LYS  33          2HB       LYS  33 -13.905   0.734   4.188
  714   1HG   LYS  33          1HG       LYS  33 -13.360  -2.223   4.345
  715   2HG   LYS  33          2HG       LYS  33 -12.234  -0.941   4.794
  716   1HD   LYS  33          1HD       LYS  33 -13.823  -0.169   6.505
  717   2HD   LYS  33          2HD       LYS  33 -14.911  -1.487   6.073
  718   1HE   LYS  33          1HE       LYS  33 -13.187  -3.109   6.697
  719   2HE   LYS  33          2HE       LYS  33 -12.107  -1.788   7.137
  720   1HZ   LYS  33          1HZ       LYS  33 -14.543  -1.433   8.477
  721   2HZ   LYS  33          2HZ       LYS  33 -14.040  -3.029   8.721
  722   3HZ   LYS  33          3HZ       LYS  33 -13.017  -1.748   9.137
  723    H    GLU  34           H        GLU  34 -15.975  -0.271   1.106
  724    HA   GLU  34           HA       GLU  34 -17.776   1.972   1.473
  725   1HB   GLU  34          1HB       GLU  34 -15.593   3.073   1.424
  726   2HB   GLU  34          2HB       GLU  34 -15.206   2.267  -0.090
  727   1HG   GLU  34          1HG       GLU  34 -15.854   4.564  -0.479
  728   2HG   GLU  34          2HG       GLU  34 -17.024   3.459  -1.196
  729    H    GLY  35           H        GLY  35 -15.830   0.677  -1.240
  730   1HA   GLY  35          1HA       GLY  35 -18.334   0.414  -2.761
  731   2HA   GLY  35          2HA       GLY  35 -17.285  -0.983  -2.603
  732    H    ILE  36           H        ILE  36 -14.819  -0.157  -3.050
  733    HA   ILE  36           HA       ILE  36 -14.956   0.976  -5.758
  734    HB   ILE  36           HB       ILE  36 -12.447   1.628  -4.493
  735   1HG1  ILE  36          1HG1      ILE  36 -13.464   3.503  -3.076
  736   2HG1  ILE  36          2HG1      ILE  36 -14.967   2.586  -3.144
  737   1HG2  ILE  36          1HG2      ILE  36 -14.466   2.824  -6.219
  738   2HG2  ILE  36          2HG2      ILE  36 -13.658   3.980  -5.160
  739   3HG2  ILE  36          3HG2      ILE  36 -12.707   2.968  -6.249
  740   1HD1  ILE  36          1HD1      ILE  36 -13.031   0.746  -2.365
  741   2HD1  ILE  36          2HD1      ILE  36 -12.674   2.219  -1.463
  742   3HD1  ILE  36          3HD1      ILE  36 -14.276   1.489  -1.358
  743    HA   PRO  37           HA       PRO  37 -12.793  -2.714  -6.951
  744   1HB   PRO  37          1HB       PRO  37 -11.550  -0.856  -8.928
  745   2HB   PRO  37          2HB       PRO  37 -12.319  -2.423  -9.188
  746   1HG   PRO  37          1HG       PRO  37 -13.593  -0.174  -9.814
  747   2HG   PRO  37          2HG       PRO  37 -14.463  -1.535  -9.083
  748   1HD   PRO  37          1HD       PRO  37 -13.578   1.033  -7.850
  749   2HD   PRO  37          2HD       PRO  37 -15.037   0.074  -7.536
  750    HA   PRO  38           HA       PRO  38  -8.964  -2.328  -4.730
  751   1HB   PRO  38          1HB       PRO  38  -7.708  -4.519  -5.857
  752   2HB   PRO  38          2HB       PRO  38  -8.827  -4.586  -4.496
  753   1HG   PRO  38          1HG       PRO  38  -9.335  -5.103  -7.395
  754   2HG   PRO  38          2HG       PRO  38  -9.954  -5.967  -5.976
  755   1HD   PRO  38          1HD       PRO  38 -11.478  -4.221  -7.315
  756   2HD   PRO  38          2HD       PRO  38 -11.570  -4.356  -5.546
  757    H    ASP  39           H        ASP  39  -8.934  -2.857  -8.225
  758    HA   ASP  39           HA       ASP  39  -6.257  -2.180  -8.697
  759   1HB   ASP  39          1HB       ASP  39  -7.684  -3.312 -10.353
  760   2HB   ASP  39          2HB       ASP  39  -8.641  -1.844 -10.531
  761    H    GLN  40           H        GLN  40  -9.156  -0.194  -8.409
  762    HA   GLN  40           HA       GLN  40  -8.049   2.182  -9.396
  763   1HB   GLN  40          1HB       GLN  40 -10.309   1.737  -7.450
  764   2HB   GLN  40          2HB       GLN  40  -9.919   3.293  -8.169
  765   1HG   GLN  40          1HG       GLN  40 -10.315   2.371 -10.394
  766   2HG   GLN  40          2HG       GLN  40 -10.695   0.807  -9.680
  767   1HE2  GLN  40          2HE2      GLN  40 -11.875   2.915  -7.533
  768   2HE2  GLN  40          1HE2      GLN  40 -13.484   3.095  -8.129
  769    H    GLN  41           H        GLN  41  -8.153   0.867  -6.099
  770    HA   GLN  41           HA       GLN  41  -7.153   3.085  -4.738
  771   1HB   GLN  41          1HB       GLN  41  -6.861   0.132  -4.212
  772   2HB   GLN  41          2HB       GLN  41  -6.194   1.341  -3.127
  773   1HG   GLN  41          1HG       GLN  41  -8.312   0.580  -2.295
  774   2HG   GLN  41          2HG       GLN  41  -8.443   2.263  -2.794
  775   1HE2  GLN  41          2HE2      GLN  41  -9.830  -0.747  -2.960
  776   2HE2  GLN  41          1HE2      GLN  41 -10.904  -0.481  -4.285
  777    H    ARG  42           H        ARG  42  -5.242   4.091  -4.753
  778    HA   ARG  42           HA       ARG  42  -3.111   3.018  -6.355
  779   1HB   ARG  42          1HB       ARG  42  -3.365   5.648  -4.912
  780   2HB   ARG  42          2HB       ARG  42  -2.020   5.209  -5.950
  781   1HG   ARG  42          1HG       ARG  42  -3.548   5.007  -7.847
  782   2HG   ARG  42          2HG       ARG  42  -4.896   5.459  -6.803
  783   1HD   ARG  42          1HD       ARG  42  -3.830   7.621  -6.370
  784   2HD   ARG  42          2HD       ARG  42  -2.489   7.167  -7.424
  785    HE   ARG  42           HE       ARG  42  -4.872   6.924  -8.869
  786   1HH1  ARG  42          1HH1      ARG  42  -2.883   9.394  -7.428
  787   2HH1  ARG  42          2HH1      ARG  42  -3.360  10.618  -8.556
  788   1HH2  ARG  42          1HH2      ARG  42  -5.506   8.528 -10.358
  789   2HH2  ARG  42          2HH2      ARG  42  -4.853  10.126 -10.222
  790    H    LEU  43           H        LEU  43  -1.359   2.007  -5.629
  791    HA   LEU  43           HA       LEU  43  -1.057   1.529  -2.811
  792   1HB   LEU  43          1HB       LEU  43  -0.455   0.113  -5.059
  793   2HB   LEU  43          2HB       LEU  43   1.123   0.737  -4.624
  794    HG   LEU  43           HG       LEU  43   1.009  -0.324  -2.458
  795   1HD1  LEU  43          1HD1      LEU  43  -1.670  -0.068  -2.629
  796   2HD1  LEU  43          2HD1      LEU  43  -1.487  -1.782  -3.012
  797   3HD1  LEU  43          3HD1      LEU  43  -0.854  -1.145  -1.495
  798   1HD2  LEU  43          1HD2      LEU  43   1.298  -1.629  -4.831
  799   2HD2  LEU  43          2HD2      LEU  43   1.606  -2.335  -3.245
  800   3HD2  LEU  43          3HD2      LEU  43   0.053  -2.593  -4.038
  801    H    ILE  44           H        ILE  44   0.199   2.619  -1.417
  802    HA   ILE  44           HA       ILE  44   2.477   4.150  -2.424
  803    HB   ILE  44           HB       ILE  44   0.313   5.380  -0.719
  804   1HG1  ILE  44          1HG1      ILE  44   1.238   6.028  -3.527
  805   2HG1  ILE  44          2HG1      ILE  44  -0.257   5.196  -3.116
  806   1HG2  ILE  44          1HG2      ILE  44   2.706   6.018  -0.188
  807   2HG2  ILE  44          2HG2      ILE  44   2.770   6.735  -1.797
  808   3HG2  ILE  44          3HG2      ILE  44   1.620   7.344  -0.607
  809   1HD1  ILE  44          1HD1      ILE  44   0.035   7.744  -1.756
  810   2HD1  ILE  44          2HD1      ILE  44   0.031   7.882  -3.514
  811   3HD1  ILE  44          3HD1      ILE  44  -1.316   7.098  -2.687
  812    H    PHE  45           H        PHE  45   4.175   4.260  -1.051
  813    HA   PHE  45           HA       PHE  45   3.809   3.302   1.707
  814   1HB   PHE  45          1HB       PHE  45   6.054   2.498  -0.161
  815   2HB   PHE  45          2HB       PHE  45   5.935   2.057   1.537
  816    HD1  PHE  45           HD1      PHE  45   3.831   1.853  -1.549
  817    HD2  PHE  45           HD2      PHE  45   5.209  -0.053   1.996
  818    HE1  PHE  45           HE1      PHE  45   2.590  -0.178  -2.164
  819    HE2  PHE  45           HE2      PHE  45   3.970  -2.089   1.387
  820    HZ   PHE  45           HZ       PHE  45   2.658  -2.153  -0.696
  821    H    ALA  46           H        ALA  46   5.261   4.171   3.250
  822    HA   ALA  46           HA       ALA  46   7.246   6.106   2.372
  823   1HB   ALA  46          1HB       ALA  46   6.198   8.002   2.922
  824   2HB   ALA  46          2HB       ALA  46   5.522   7.309   4.397
  825   3HB   ALA  46          3HB       ALA  46   4.716   7.048   2.850
  826    H    GLY  47           H        GLY  47   8.983   5.897   3.612
  827   1HA   GLY  47          1HA       GLY  47  10.345   5.231   5.334
  828   2HA   GLY  47          2HA       GLY  47   9.029   4.211   5.884
  829    H    LYS  48           H        LYS  48  11.017   6.064   7.229
  830    HA   LYS  48           HA       LYS  48   9.257   6.996   9.272
  831   1HB   LYS  48          1HB       LYS  48  11.528   6.170   9.749
  832   2HB   LYS  48          2HB       LYS  48  12.204   7.527   8.864
  833   1HG   LYS  48          1HG       LYS  48  12.332   7.929  11.240
  834   2HG   LYS  48          2HG       LYS  48  11.213   9.070  10.494
  835   1HD   LYS  48          1HD       LYS  48   9.323   7.700  11.224
  836   2HD   LYS  48          2HD       LYS  48  10.440   6.553  11.966
  837   1HE   LYS  48          1HE       LYS  48   9.502   8.056  13.636
  838   2HE   LYS  48          2HE       LYS  48  11.241   8.301  13.472
  839   1HZ   LYS  48          1HZ       LYS  48   9.363   9.977  11.943
  840   2HZ   LYS  48          2HZ       LYS  48   9.693  10.336  13.562
  841   3HZ   LYS  48          3HZ       LYS  48  10.947  10.319  12.427
  842    H    GLN  49           H        GLN  49   7.921   8.365   7.867
  843    HA   GLN  49           HA       GLN  49   8.941  10.758   6.750
  844   1HB   GLN  49          1HB       GLN  49   6.150  10.136   7.755
  845   2HB   GLN  49          2HB       GLN  49   6.582  11.503   6.741
  846   1HG   GLN  49          1HG       GLN  49   6.837   8.605   5.973
  847   2HG   GLN  49          2HG       GLN  49   5.551   9.695   5.465
  848   1HE2  GLN  49          2HE2      GLN  49   5.794  10.481   3.515
  849   2HE2  GLN  49          1HE2      GLN  49   7.291  10.777   2.708
  850    H    LEU  50           H        LEU  50   9.965  12.227   7.928
  851    HA   LEU  50           HA       LEU  50   9.981  12.461  10.671
  852   1HB   LEU  50          1HB       LEU  50  10.485  14.621   8.627
  853   2HB   LEU  50          2HB       LEU  50  10.890  14.750  10.325
  854    HG   LEU  50           HG       LEU  50  12.899  14.214   9.194
  855   1HD1  LEU  50          1HD1      LEU  50  12.312  12.907  11.290
  856   2HD1  LEU  50          2HD1      LEU  50  11.984  11.546  10.218
  857   3HD1  LEU  50          3HD1      LEU  50  13.598  12.254  10.274
  858   1HD2  LEU  50          1HD2      LEU  50  11.392  13.147   7.243
  859   2HD2  LEU  50          2HD2      LEU  50  13.128  12.887   7.395
  860   3HD2  LEU  50          3HD2      LEU  50  11.999  11.678   8.006
  861    H    GLU  51           H        GLU  51   7.755  12.237  11.277
  862    HA   GLU  51           HA       GLU  51   5.762  13.016  12.053
  863   1HB   GLU  51          1HB       GLU  51   7.228  14.555  13.282
  864   2HB   GLU  51          2HB       GLU  51   7.188  15.679  11.934
  865   1HG   GLU  51          1HG       GLU  51   5.702  16.441  13.652
  866   2HG   GLU  51          2HG       GLU  51   4.759  15.934  12.251

  No H/Q in entry =         866
  Start of MODEL   14
    1    H1   GLY  -1           H1       GLY  -1   7.120  -8.171 -12.085
    2    H2   GLY  -1           H2       GLY  -1   7.796  -7.562 -10.658
    3    H3   GLY  -1           H3       GLY  -1   7.247  -9.160 -10.719
    4   1HA   GLY  -1          1HA       GLY  -1   5.821  -6.832 -10.032
    5   2HA   GLY  -1          2HA       GLY  -1   5.292  -8.504  -9.961
    6    H    SER   0           H        SER   0   4.166  -5.772 -10.941
    7    HA   SER   0           HA       SER   0   3.639  -6.069 -13.704
    8   1HB   SER   0          1HB       SER   0   2.331  -8.003 -12.977
    9   2HB   SER   0          2HB       SER   0   1.444  -6.993 -11.836
   10    HG   SER   0           HG       SER   0   1.451  -6.730 -14.663
   11    H    MET   1           H        MET   1   2.137  -4.986 -10.658
   12    HA   MET   1           HA       MET   1   1.360  -2.496 -11.993
   13   1HB   MET   1          1HB       MET   1   0.023  -2.101  -9.899
   14   2HB   MET   1          2HB       MET   1  -0.474  -3.491 -10.854
   15   1HG   MET   1          1HG       MET   1   0.656  -4.984  -9.332
   16   2HG   MET   1          2HG       MET   1   1.271  -3.618  -8.407
   17   1HE   MET   1          1HE       MET   1  -0.153  -1.806  -7.712
   18   2HE   MET   1          2HE       MET   1  -1.915  -1.792  -7.818
   19   3HE   MET   1          3HE       MET   1  -1.124  -2.300  -6.324
   20    H    GLN   2           H        GLN   2   2.760  -0.925 -11.894
   21    HA   GLN   2           HA       GLN   2   4.944  -0.751 -10.144
   22   1HB   GLN   2          1HB       GLN   2   4.761   0.277 -12.402
   23   2HB   GLN   2          2HB       GLN   2   3.616   1.438 -11.750
   24   1HG   GLN   2          1HG       GLN   2   5.290   2.411 -10.367
   25   2HG   GLN   2          2HG       GLN   2   6.444   1.146 -10.791
   26   1HE2  GLN   2          2HE2      GLN   2   5.393   4.227 -11.488
   27   2HE2  GLN   2          1HE2      GLN   2   6.142   4.427 -13.029
   28    H    ILE   3           H        ILE   3   4.988  -0.200  -8.054
   29    HA   ILE   3           HA       ILE   3   2.712   1.240  -6.905
   30    HB   ILE   3           HB       ILE   3   3.484   0.480  -4.737
   31   1HG1  ILE   3          1HG1      ILE   3   5.754  -0.860  -6.216
   32   2HG1  ILE   3          2HG1      ILE   3   5.914   0.568  -5.203
   33   1HG2  ILE   3          1HG2      ILE   3   2.049  -0.995  -6.051
   34   2HG2  ILE   3          2HG2      ILE   3   3.476  -1.761  -6.750
   35   3HG2  ILE   3          3HG2      ILE   3   3.150  -1.914  -5.023
   36   1HD1  ILE   3          1HD1      ILE   3   4.603  -1.574  -3.786
   37   2HD1  ILE   3          2HD1      ILE   3   6.175  -2.073  -4.416
   38   3HD1  ILE   3          3HD1      ILE   3   6.053  -0.662  -3.367
   39    H    PHE   4           H        PHE   4   2.891   3.105  -5.733
   40    HA   PHE   4           HA       PHE   4   5.301   4.681  -6.185
   41   1HB   PHE   4          1HB       PHE   4   2.600   5.432  -5.040
   42   2HB   PHE   4          2HB       PHE   4   3.930   6.559  -5.267
   43    HD1  PHE   4           HD1      PHE   4   3.528   7.995  -6.990
   44    HD2  PHE   4           HD2      PHE   4   2.364   3.923  -7.410
   45    HE1  PHE   4           HE1      PHE   4   2.754   8.457  -9.279
   46    HE2  PHE   4           HE2      PHE   4   1.590   4.377  -9.701
   47    HZ   PHE   4           HZ       PHE   4   1.785   6.647 -10.638
   48    H    VAL   5           H        VAL   5   6.716   5.289  -4.603
   49    HA   VAL   5           HA       VAL   5   6.004   4.913  -1.801
   50    HB   VAL   5           HB       VAL   5   8.393   3.517  -3.016
   51   1HG1  VAL   5          1HG1      VAL   5   8.700   4.498  -0.717
   52   2HG1  VAL   5          2HG1      VAL   5   7.442   3.392  -0.164
   53   3HG1  VAL   5          3HG1      VAL   5   8.942   2.755  -0.840
   54   1HG2  VAL   5          1HG2      VAL   5   6.307   2.352  -3.497
   55   2HG2  VAL   5          2HG2      VAL   5   7.285   1.447  -2.342
   56   3HG2  VAL   5          3HG2      VAL   5   5.892   2.372  -1.783
   57    H    LYS   6           H        LYS   6   6.898   6.412  -0.526
   58    HA   LYS   6           HA       LYS   6   8.752   8.322  -1.720
   59   1HB   LYS   6          1HB       LYS   6   7.333   8.422   0.951
   60   2HB   LYS   6          2HB       LYS   6   8.221   9.738   0.196
   61   1HG   LYS   6          1HG       LYS   6   5.725   8.471  -0.911
   62   2HG   LYS   6          2HG       LYS   6   5.794   9.991  -0.018
   63   1HD   LYS   6          1HD       LYS   6   7.243  10.940  -1.748
   64   2HD   LYS   6          2HD       LYS   6   7.167   9.422  -2.643
   65   1HE   LYS   6          1HE       LYS   6   4.813  11.179  -1.971
   66   2HE   LYS   6          2HE       LYS   6   5.615  11.103  -3.538
   67   1HZ   LYS   6          1HZ       LYS   6   4.923   8.500  -2.750
   68   2HZ   LYS   6          2HZ       LYS   6   3.556   9.483  -2.580
   69   3HZ   LYS   6          3HZ       LYS   6   4.348   9.387  -4.071
   70    H    THR   7           H        THR   7  10.868   8.422  -1.211
   71    HA   THR   7           HA       THR   7  11.980   6.456   0.568
   72    HB   THR   7           HB       THR   7  14.170   7.477  -0.009
   73    HG1  THR   7           HG1      THR   7  12.740   9.574  -0.598
   74   1HG2  THR   7          1HG2      THR   7  12.240   6.489  -2.037
   75   2HG2  THR   7          2HG2      THR   7  13.768   7.152  -2.620
   76   3HG2  THR   7          3HG2      THR   7  13.767   5.794  -1.493
   77    H    LEU   8           H        LEU   8  14.186   8.035   1.546
   78    HA   LEU   8           HA       LEU   8  12.908   9.093   3.908
   79   1HB   LEU   8          1HB       LEU   8  15.824   8.866   3.188
   80   2HB   LEU   8          2HB       LEU   8  15.202   9.338   4.757
   81    HG   LEU   8           HG       LEU   8  14.947   6.638   3.431
   82   1HD1  LEU   8          1HD1      LEU   8  16.683   7.824   5.462
   83   2HD1  LEU   8          2HD1      LEU   8  15.959   6.287   5.933
   84   3HD1  LEU   8          3HD1      LEU   8  16.919   6.392   4.458
   85   1HD2  LEU   8          1HD2      LEU   8  13.409   7.874   5.634
   86   2HD2  LEU   8          2HD2      LEU   8  12.940   6.634   4.472
   87   3HD2  LEU   8          3HD2      LEU   8  13.944   6.209   5.856
   88    H    THR   9           H        THR   9  15.221  10.367   1.509
   89    HA   THR   9           HA       THR   9  15.039  13.038   2.496
   90    HB   THR   9           HB       THR   9  16.316  13.666   0.485
   91    HG1  THR   9           HG1      THR   9  16.667  11.058  -0.354
   92   1HG2  THR   9          1HG2      THR   9  17.229  12.310   2.607
   93   2HG2  THR   9          2HG2      THR   9  17.665  11.170   1.335
   94   3HG2  THR   9          3HG2      THR   9  18.273  12.824   1.281
   95    H    GLY  10           H        GLY  10  13.678  11.364  -0.329
   96   1HA   GLY  10          1HA       GLY  10  12.286  13.718  -1.235
   97   2HA   GLY  10          2HA       GLY  10  11.237  12.567  -0.419
   98    H    LYS  11           H        LYS  11  13.992  11.506  -2.241
   99    HA   LYS  11           HA       LYS  11  13.144  11.254  -4.797
  100   1HB   LYS  11          1HB       LYS  11  15.315  10.503  -4.299
  101   2HB   LYS  11          2HB       LYS  11  14.742   9.367  -3.089
  102   1HG   LYS  11          1HG       LYS  11  15.492   8.188  -5.054
  103   2HG   LYS  11          2HG       LYS  11  13.748   7.998  -4.870
  104   1HD   LYS  11          1HD       LYS  11  14.230   8.413  -7.182
  105   2HD   LYS  11          2HD       LYS  11  13.433   9.835  -6.509
  106   1HE   LYS  11          1HE       LYS  11  15.300  10.473  -7.933
  107   2HE   LYS  11          2HE       LYS  11  15.588  10.940  -6.259
  108   1HZ   LYS  11          1HZ       LYS  11  16.946   8.913  -6.019
  109   2HZ   LYS  11          2HZ       LYS  11  16.752   8.605  -7.672
  110   3HZ   LYS  11          3HZ       LYS  11  17.573   9.993  -7.160
  111    H    THR  12           H        THR  12  11.636  10.221  -5.908
  112    HA   THR  12           HA       THR  12   9.771   8.489  -4.493
  113    HB   THR  12           HB       THR  12   9.672   9.457  -7.353
  114    HG1  THR  12           HG1      THR  12   7.857  10.562  -5.660
  115   1HG2  THR  12          1HG2      THR  12   7.579   8.204  -5.573
  116   2HG2  THR  12          2HG2      THR  12   7.262   8.902  -7.161
  117   3HG2  THR  12          3HG2      THR  12   8.307   7.489  -7.011
  118    H    ILE  13           H        ILE  13   9.508   6.322  -4.912
  119    HA   ILE  13           HA       ILE  13  11.293   5.174  -6.947
  120    HB   ILE  13           HB       ILE  13  11.474   3.162  -5.422
  121   1HG1  ILE  13          1HG1      ILE  13  10.540   5.187  -3.375
  122   2HG1  ILE  13          2HG1      ILE  13   9.617   3.785  -3.908
  123   1HG2  ILE  13          1HG2      ILE  13  12.787   5.778  -5.233
  124   2HG2  ILE  13          2HG2      ILE  13  13.039   4.722  -3.838
  125   3HG2  ILE  13          3HG2      ILE  13  13.478   4.167  -5.454
  126   1HD1  ILE  13          1HD1      ILE  13  11.385   2.325  -3.023
  127   2HD1  ILE  13          2HD1      ILE  13  12.232   3.751  -2.425
  128   3HD1  ILE  13          3HD1      ILE  13  10.643   3.337  -1.783
  129    H    THR  14           H        THR  14  10.481   3.741  -8.291
  130    HA   THR  14           HA       THR  14   7.716   2.824  -7.854
  131    HB   THR  14           HB       THR  14   7.731   2.628 -10.434
  132    HG1  THR  14           HG1      THR  14   9.395   4.799 -10.585
  133   1HG2  THR  14          1HG2      THR  14   7.382   5.026  -8.736
  134   2HG2  THR  14          2HG2      THR  14   7.406   5.279 -10.481
  135   3HG2  THR  14          3HG2      THR  14   6.224   4.184  -9.765
  136    H    LEU  15           H        LEU  15   7.185   0.722  -8.332
  137    HA   LEU  15           HA       LEU  15   8.930  -1.084  -9.648
  138   1HB   LEU  15          1HB       LEU  15   9.689  -2.427  -7.848
  139   2HB   LEU  15          2HB       LEU  15  10.099  -0.773  -7.446
  140    HG   LEU  15           HG       LEU  15   7.809  -0.889  -6.113
  141   1HD1  LEU  15          1HD1      LEU  15  10.418  -0.845  -5.425
  142   2HD1  LEU  15          2HD1      LEU  15   9.094  -0.909  -4.261
  143   3HD1  LEU  15          3HD1      LEU  15   9.931  -2.389  -4.728
  144   1HD2  LEU  15          1HD2      LEU  15   7.852  -3.432  -7.085
  145   2HD2  LEU  15          2HD2      LEU  15   8.588  -3.644  -5.496
  146   3HD2  LEU  15          3HD2      LEU  15   6.985  -2.919  -5.637
  147    H    GLU  16           H        GLU  16   7.639  -2.555 -10.557
  148    HA   GLU  16           HA       GLU  16   4.892  -2.731  -9.776
  149   1HB   GLU  16          1HB       GLU  16   4.626  -4.231 -11.665
  150   2HB   GLU  16          2HB       GLU  16   5.557  -2.818 -12.138
  151   1HG   GLU  16          1HG       GLU  16   6.836  -5.423 -11.372
  152   2HG   GLU  16          2HG       GLU  16   6.343  -5.044 -13.021
  153    H    VAL  17           H        VAL  17   3.785  -4.428  -8.895
  154    HA   VAL  17           HA       VAL  17   5.162  -6.882  -8.181
  155    HB   VAL  17           HB       VAL  17   4.321  -6.669  -5.782
  156   1HG1  VAL  17          1HG1      VAL  17   3.142  -4.402  -6.631
  157   2HG1  VAL  17          2HG1      VAL  17   3.558  -4.728  -4.948
  158   3HG1  VAL  17          3HG1      VAL  17   4.633  -3.753  -5.950
  159   1HG2  VAL  17          1HG2      VAL  17   6.604  -4.999  -6.791
  160   2HG2  VAL  17          2HG2      VAL  17   6.321  -5.349  -5.085
  161   3HG2  VAL  17          3HG2      VAL  17   6.655  -6.663  -6.212
  162    H    GLU  18           H        GLU  18   3.814  -8.575  -8.215
  163    HA   GLU  18           HA       GLU  18   1.179  -8.285  -9.151
  164   1HB   GLU  18          1HB       GLU  18   2.424 -10.700  -7.832
  165   2HB   GLU  18          2HB       GLU  18   0.996 -10.696  -8.854
  166   1HG   GLU  18          1HG       GLU  18   2.346  -9.956 -10.746
  167   2HG   GLU  18          2HG       GLU  18   3.779  -9.948  -9.720
  168    HA   PRO  19           HA       PRO  19  -1.243  -7.334  -5.573
  169   1HB   PRO  19          1HB       PRO  19  -3.421  -8.950  -6.280
  170   2HB   PRO  19          2HB       PRO  19  -3.194  -7.261  -6.721
  171   1HG   PRO  19          1HG       PRO  19  -2.638  -9.720  -8.299
  172   2HG   PRO  19          2HG       PRO  19  -3.239  -8.147  -8.848
  173   1HD   PRO  19          1HD       PRO  19  -0.706  -8.873  -9.273
  174   2HD   PRO  19          2HD       PRO  19  -1.114  -7.198  -8.844
  175    H    SER  20           H        SER  20  -0.979 -10.672  -6.662
  176    HA   SER  20           HA       SER  20  -1.900 -11.910  -4.316
  177   1HB   SER  20          1HB       SER  20  -1.748 -13.071  -6.460
  178   2HB   SER  20          2HB       SER  20   0.008 -12.942  -6.421
  179    HG   SER  20           HG       SER  20  -0.639 -14.974  -5.674
  180    H    ASP  21           H        ASP  21   1.248 -10.704  -5.266
  181    HA   ASP  21           HA       ASP  21   2.852 -11.977  -3.384
  182   1HB   ASP  21          1HB       ASP  21   3.065  -9.272  -4.697
  183   2HB   ASP  21          2HB       ASP  21   4.299  -9.883  -3.602
  184    H    THR  22           H        THR  22   3.205 -11.745  -1.268
  185    HA   THR  22           HA       THR  22   1.353 -10.461   0.384
  186    HB   THR  22           HB       THR  22   2.895 -10.951   2.240
  187    HG1  THR  22           HG1      THR  22   4.800 -12.324   1.119
  188   1HG2  THR  22          1HG2      THR  22   1.426 -12.708   1.293
  189   2HG2  THR  22          2HG2      THR  22   2.756 -13.216   0.250
  190   3HG2  THR  22          3HG2      THR  22   2.906 -13.357   2.002
  191    H    ILE  23           H        ILE  23   1.485  -8.659   1.718
  192    HA   ILE  23           HA       ILE  23   2.510  -6.322   0.624
  193    HB   ILE  23           HB       ILE  23   1.878  -6.860   3.531
  194   1HG1  ILE  23          1HG1      ILE  23   0.164  -5.705   1.317
  195   2HG1  ILE  23          2HG1      ILE  23  -0.006  -7.317   2.004
  196   1HG2  ILE  23          1HG2      ILE  23   3.253  -4.854   3.204
  197   2HG2  ILE  23          2HG2      ILE  23   2.065  -4.235   2.056
  198   3HG2  ILE  23          3HG2      ILE  23   1.624  -4.454   3.750
  199   1HD1  ILE  23          1HD1      ILE  23  -0.161  -4.968   3.820
  200   2HD1  ILE  23          2HD1      ILE  23  -1.538  -5.349   2.784
  201   3HD1  ILE  23          3HD1      ILE  23  -0.945  -6.544   3.937
  202    H    GLU  24           H        GLU  24   3.853  -8.367   3.195
  203    HA   GLU  24           HA       GLU  24   6.078  -6.787   3.813
  204   1HB   GLU  24          1HB       GLU  24   7.050  -8.850   4.751
  205   2HB   GLU  24          2HB       GLU  24   5.377  -8.630   5.237
  206   1HG   GLU  24          1HG       GLU  24   4.669 -10.242   3.548
  207   2HG   GLU  24          2HG       GLU  24   6.348 -10.461   3.055
  208    H    ASN  25           H        ASN  25   5.553  -9.186   1.304
  209    HA   ASN  25           HA       ASN  25   8.217  -9.476   0.465
  210   1HB   ASN  25          1HB       ASN  25   6.493 -11.060  -0.186
  211   2HB   ASN  25          2HB       ASN  25   5.647  -9.810  -1.090
  212   1HD2  ASN  25          2HD2      ASN  25   5.875 -10.081  -3.170
  213   2HD2  ASN  25          1HD2      ASN  25   7.310 -10.591  -3.988
  214    H    VAL  26           H        VAL  26   5.636  -7.323  -0.762
  215    HA   VAL  26           HA       VAL  26   7.235  -6.154  -2.775
  216    HB   VAL  26           HB       VAL  26   5.569  -4.463  -3.016
  217   1HG1  VAL  26          1HG1      VAL  26   5.065  -7.031  -3.404
  218   2HG1  VAL  26          2HG1      VAL  26   3.820  -6.709  -2.197
  219   3HG1  VAL  26          3HG1      VAL  26   3.854  -5.783  -3.698
  220   1HG2  VAL  26          1HG2      VAL  26   5.219  -4.794  -0.201
  221   2HG2  VAL  26          2HG2      VAL  26   4.639  -3.508  -1.258
  222   3HG2  VAL  26          3HG2      VAL  26   3.666  -4.959  -1.019
  223    H    LYS  27           H        LYS  27   6.614  -5.235   0.586
  224    HA   LYS  27           HA       LYS  27   7.954  -2.759   0.514
  225   1HB   LYS  27          1HB       LYS  27   7.588  -4.627   2.863
  226   2HB   LYS  27          2HB       LYS  27   8.031  -2.928   2.961
  227   1HG   LYS  27          1HG       LYS  27   5.867  -2.358   1.889
  228   2HG   LYS  27          2HG       LYS  27   5.426  -4.065   1.972
  229   1HD   LYS  27          1HD       LYS  27   6.055  -2.264   4.311
  230   2HD   LYS  27          2HD       LYS  27   4.457  -2.846   3.838
  231   1HE   LYS  27          1HE       LYS  27   5.196  -5.155   4.242
  232   2HE   LYS  27          2HE       LYS  27   6.771  -4.549   4.752
  233   1HZ   LYS  27          1HZ       LYS  27   4.268  -3.689   6.073
  234   2HZ   LYS  27          2HZ       LYS  27   5.104  -5.078   6.560
  235   3HZ   LYS  27          3HZ       LYS  27   5.854  -3.564   6.647
  236    H    ALA  28           H        ALA  28   9.067  -6.044   1.155
  237    HA   ALA  28           HA       ALA  28  11.634  -5.503   2.075
  238   1HB   ALA  28          1HB       ALA  28  11.544  -7.795   0.283
  239   2HB   ALA  28          2HB       ALA  28  10.211  -7.774   1.438
  240   3HB   ALA  28          3HB       ALA  28  11.878  -7.722   2.014
  241    H    LYS  29           H        LYS  29  10.361  -5.598  -1.203
  242    HA   LYS  29           HA       LYS  29  12.822  -5.433  -2.578
  243   1HB   LYS  29          1HB       LYS  29  10.219  -4.234  -3.529
  244   2HB   LYS  29          2HB       LYS  29  11.531  -4.880  -4.503
  245   1HG   LYS  29          1HG       LYS  29  11.032  -7.129  -3.666
  246   2HG   LYS  29          2HG       LYS  29   9.698  -6.461  -2.720
  247   1HD   LYS  29          1HD       LYS  29   8.611  -5.708  -4.775
  248   2HD   LYS  29          2HD       LYS  29   9.951  -6.354  -5.727
  249   1HE   LYS  29          1HE       LYS  29   8.094  -7.954  -3.970
  250   2HE   LYS  29          2HE       LYS  29   8.035  -7.874  -5.730
  251   1HZ   LYS  29          1HZ       LYS  29  10.381  -8.854  -4.200
  252   2HZ   LYS  29          2HZ       LYS  29   9.182  -9.864  -4.836
  253   3HZ   LYS  29          3HZ       LYS  29  10.144  -8.938  -5.874
  254    H    ILE  30           H        ILE  30  10.584  -3.014  -1.326
  255    HA   ILE  30           HA       ILE  30  11.756  -0.698  -2.332
  256    HB   ILE  30           HB       ILE  30  10.447  -1.095   0.363
  257   1HG1  ILE  30          1HG1      ILE  30   9.256  -0.204  -2.273
  258   2HG1  ILE  30          2HG1      ILE  30   9.036  -1.788  -1.540
  259   1HG2  ILE  30          1HG2      ILE  30  11.296   1.334  -1.155
  260   2HG2  ILE  30          2HG2      ILE  30   9.873   1.410  -0.115
  261   3HG2  ILE  30          3HG2      ILE  30  11.441   0.977   0.566
  262   1HD1  ILE  30          1HD1      ILE  30   8.052  -0.546   0.449
  263   2HD1  ILE  30          2HD1      ILE  30   7.981   0.855  -0.619
  264   3HD1  ILE  30          3HD1      ILE  30   7.092  -0.612  -1.029
  265    H    GLN  31           H        GLN  31  12.515  -2.662   0.465
  266    HA   GLN  31           HA       GLN  31  14.477  -1.057   1.671
  267   1HB   GLN  31          1HB       GLN  31  13.508  -2.925   2.846
  268   2HB   GLN  31          2HB       GLN  31  14.025  -4.042   1.589
  269   1HG   GLN  31          1HG       GLN  31  16.366  -3.585   2.199
  270   2HG   GLN  31          2HG       GLN  31  15.791  -2.571   3.522
  271   1HE2  GLN  31          2HE2      GLN  31  15.590  -3.524   5.415
  272   2HE2  GLN  31          1HE2      GLN  31  15.399  -5.218   5.685
  273    H    ASP  32           H        ASP  32  14.627  -3.667  -0.689
  274    HA   ASP  32           HA       ASP  32  17.393  -3.723  -1.058
  275   1HB   ASP  32          1HB       ASP  32  15.906  -5.501  -1.835
  276   2HB   ASP  32          2HB       ASP  32  15.176  -4.400  -2.994
  277    H    LYS  33           H        LYS  33  14.858  -1.769  -2.508
  278    HA   LYS  33           HA       LYS  33  16.422  -0.558  -4.527
  279   1HB   LYS  33          1HB       LYS  33  13.902   0.364  -3.142
  280   2HB   LYS  33          2HB       LYS  33  14.620   1.197  -4.512
  281   1HG   LYS  33          1HG       LYS  33  13.628  -1.642  -4.532
  282   2HG   LYS  33          2HG       LYS  33  12.756  -0.245  -5.158
  283   1HD   LYS  33          1HD       LYS  33  15.492  -1.001  -6.146
  284   2HD   LYS  33          2HD       LYS  33  14.019  -1.671  -6.847
  285   1HE   LYS  33          1HE       LYS  33  14.710   0.200  -8.174
  286   2HE   LYS  33          2HE       LYS  33  13.243   0.642  -7.303
  287   1HZ   LYS  33          1HZ       LYS  33  15.917   1.321  -6.249
  288   2HZ   LYS  33          2HZ       LYS  33  15.134   2.319  -7.369
  289   3HZ   LYS  33          3HZ       LYS  33  14.423   2.015  -5.865
  290    H    GLU  34           H        GLU  34  15.649   0.381  -1.201
  291    HA   GLU  34           HA       GLU  34  17.779   2.409  -1.382
  292   1HB   GLU  34          1HB       GLU  34  15.562   3.466  -1.262
  293   2HB   GLU  34          2HB       GLU  34  15.220   2.587   0.219
  294   1HG   GLU  34          1HG       GLU  34  15.844   4.858   0.723
  295   2HG   GLU  34          2HG       GLU  34  17.072   3.747   1.325
  296    H    GLY  35           H        GLY  35  15.827   0.973   1.256
  297   1HA   GLY  35          1HA       GLY  35  18.181   0.814   2.926
  298   2HA   GLY  35          2HA       GLY  35  17.595  -0.745   2.372
  299    H    ILE  36           H        ILE  36  15.600   2.040   3.220
  300    HA   ILE  36           HA       ILE  36  15.029   1.616   5.825
  301    HB   ILE  36           HB       ILE  36  12.534   2.218   4.963
  302   1HG1  ILE  36          1HG1      ILE  36  12.769   3.743   3.027
  303   2HG1  ILE  36          2HG1      ILE  36  14.446   3.242   2.844
  304   1HG2  ILE  36          1HG2      ILE  36  14.205   3.439   6.460
  305   2HG2  ILE  36          2HG2      ILE  36  14.692   4.297   4.997
  306   3HG2  ILE  36          3HG2      ILE  36  13.029   4.411   5.574
  307   1HD1  ILE  36          1HD1      ILE  36  13.689   0.959   2.373
  308   2HD1  ILE  36          2HD1      ILE  36  12.017   1.510   2.489
  309   3HD1  ILE  36          3HD1      ILE  36  13.068   2.139   1.220
  310    HA   PRO  37           HA       PRO  37  13.497  -2.517   6.364
  311   1HB   PRO  37          1HB       PRO  37  12.030  -1.027   8.505
  312   2HB   PRO  37          2HB       PRO  37  12.886  -2.573   8.607
  313   1HG   PRO  37          1HG       PRO  37  14.022  -0.375   9.541
  314   2HG   PRO  37          2HG       PRO  37  14.984  -1.542   8.611
  315   1HD   PRO  37          1HD       PRO  37  13.911   1.114   7.789
  316   2HD   PRO  37          2HD       PRO  37  15.418   0.311   7.316
  317    HA   PRO  38           HA       PRO  38   9.622  -2.481   4.178
  318   1HB   PRO  38          1HB       PRO  38   9.105  -4.978   5.704
  319   2HB   PRO  38          2HB       PRO  38   9.070  -4.697   3.962
  320   1HG   PRO  38          1HG       PRO  38  11.088  -6.022   5.084
  321   2HG   PRO  38          2HG       PRO  38  11.372  -4.888   3.753
  322   1HD   PRO  38          1HD       PRO  38  11.854  -4.534   6.681
  323   2HD   PRO  38          2HD       PRO  38  12.824  -3.977   5.302
  324    H    ASP  39           H        ASP  39   9.666  -3.261   7.635
  325    HA   ASP  39           HA       ASP  39   6.948  -2.921   8.171
  326   1HB   ASP  39          1HB       ASP  39   9.324  -2.434   9.977
  327   2HB   ASP  39          2HB       ASP  39   7.657  -2.577  10.520
  328    H    GLN  40           H        GLN  40   9.583  -0.582   8.046
  329    HA   GLN  40           HA       GLN  40   8.236   1.590   9.163
  330   1HB   GLN  40          1HB       GLN  40  10.468   1.492   7.142
  331   2HB   GLN  40          2HB       GLN  40   9.903   2.977   7.891
  332   1HG   GLN  40          1HG       GLN  40  10.534   2.175  10.070
  333   2HG   GLN  40          2HG       GLN  40  10.971   0.605   9.402
  334   1HE2  GLN  40          2HE2      GLN  40  11.876   2.711   7.113
  335   2HE2  GLN  40          1HE2      GLN  40  13.510   3.004   7.585
  336    H    GLN  41           H        GLN  41   8.320   0.424   5.823
  337    HA   GLN  41           HA       GLN  41   7.124   2.585   4.555
  338   1HB   GLN  41          1HB       GLN  41   6.997  -0.372   3.995
  339   2HB   GLN  41          2HB       GLN  41   6.193   0.800   2.962
  340   1HG   GLN  41          1HG       GLN  41   8.329   0.183   2.031
  341   2HG   GLN  41          2HG       GLN  41   8.339   1.879   2.512
  342   1HE2  GLN  41          2HE2      GLN  41  10.005  -0.980   2.610
  343   2HE2  GLN  41          1HE2      GLN  41  11.107  -0.616   3.890
  344    H    ARG  42           H        ARG  42   5.194   3.510   4.726
  345    HA   ARG  42           HA       ARG  42   3.148   2.231   6.309
  346   1HB   ARG  42          1HB       ARG  42   3.289   5.007   5.139
  347   2HB   ARG  42          2HB       ARG  42   2.004   4.426   6.185
  348   1HG   ARG  42          1HG       ARG  42   3.617   4.085   7.986
  349   2HG   ARG  42          2HG       ARG  42   4.909   4.666   6.936
  350   1HD   ARG  42          1HD       ARG  42   3.796   6.835   6.761
  351   2HD   ARG  42          2HD       ARG  42   2.497   6.254   7.804
  352    HE   ARG  42           HE       ARG  42   4.928   5.923   9.149
  353   1HH1  ARG  42          1HH1      ARG  42   2.857   8.481   8.005
  354   2HH1  ARG  42          2HH1      ARG  42   3.342   9.599   9.236
  355   1HH2  ARG  42          1HH2      ARG  42   5.571   7.387  10.773
  356   2HH2  ARG  42          2HH2      ARG  42   4.886   8.977  10.808
  357    H    LEU  43           H        LEU  43   1.359   1.290   5.526
  358    HA   LEU  43           HA       LEU  43   1.031   1.019   2.696
  359   1HB   LEU  43          1HB       LEU  43  -0.913   0.208   4.853
  360   2HB   LEU  43          2HB       LEU  43  -0.855  -0.389   3.209
  361    HG   LEU  43           HG       LEU  43   1.091  -0.946   5.435
  362   1HD1  LEU  43          1HD1      LEU  43   1.793  -0.619   2.778
  363   2HD1  LEU  43          2HD1      LEU  43   2.709  -1.484   4.011
  364   3HD1  LEU  43          3HD1      LEU  43   1.595  -2.362   2.964
  365   1HD2  LEU  43          1HD2      LEU  43  -0.661  -2.721   3.744
  366   2HD2  LEU  43          2HD2      LEU  43   0.476  -3.273   4.975
  367   3HD2  LEU  43          3HD2      LEU  43  -0.921  -2.302   5.437
  368    H    ILE  44           H        ILE  44  -0.219   2.135   1.349
  369    HA   ILE  44           HA       ILE  44  -2.415   3.751   2.391
  370    HB   ILE  44           HB       ILE  44  -0.211   4.903   0.680
  371   1HG1  ILE  44          1HG1      ILE  44  -1.104   5.608   3.484
  372   2HG1  ILE  44          2HG1      ILE  44   0.339   4.684   3.087
  373   1HG2  ILE  44          1HG2      ILE  44  -2.700   5.586   0.295
  374   2HG2  ILE  44          2HG2      ILE  44  -2.481   6.494   1.790
  375   3HG2  ILE  44          3HG2      ILE  44  -1.451   6.828   0.397
  376   1HD1  ILE  44          1HD1      ILE  44  -0.163   7.506   2.195
  377   2HD1  ILE  44          2HD1      ILE  44   0.780   7.050   3.614
  378   3HD1  ILE  44          3HD1      ILE  44   1.322   6.573   2.004
  379    H    PHE  45           H        PHE  45  -4.142   3.743   1.079
  380    HA   PHE  45           HA       PHE  45  -3.783   2.864  -1.705
  381   1HB   PHE  45          1HB       PHE  45  -5.982   1.949   0.164
  382   2HB   PHE  45          2HB       PHE  45  -5.812   1.497  -1.528
  383    HD1  PHE  45           HD1      PHE  45  -3.923   1.373   1.686
  384    HD2  PHE  45           HD2      PHE  45  -4.767  -0.482  -2.049
  385    HE1  PHE  45           HE1      PHE  45  -2.553  -0.562   2.343
  386    HE2  PHE  45           HE2      PHE  45  -3.399  -2.421  -1.398
  387    HZ   PHE  45           HZ       PHE  45  -2.291  -2.463   0.800
  388    H    ALA  46           H        ALA  46  -5.248   3.724  -3.225
  389    HA   ALA  46           HA       ALA  46  -7.362   5.484  -2.324
  390   1HB   ALA  46          1HB       ALA  46  -5.848   7.186  -2.117
  391   2HB   ALA  46          2HB       ALA  46  -4.787   6.544  -3.373
  392   3HB   ALA  46          3HB       ALA  46  -6.284   7.364  -3.816
  393    H    GLY  47           H        GLY  47  -9.002   5.268  -3.676
  394   1HA   GLY  47          1HA       GLY  47 -10.224   4.783  -5.556
  395   2HA   GLY  47          2HA       GLY  47  -8.877   3.770  -6.047
  396    H    LYS  48           H        LYS  48  -8.678   4.263  -8.159
  397    HA   LYS  48           HA       LYS  48  -7.367   6.618  -8.951
  398   1HB   LYS  48          1HB       LYS  48  -8.931   4.651 -10.630
  399   2HB   LYS  48          2HB       LYS  48  -7.829   5.869 -11.257
  400   1HG   LYS  48          1HG       LYS  48  -5.991   4.796  -9.997
  401   2HG   LYS  48          2HG       LYS  48  -7.118   3.532  -9.497
  402   1HD   LYS  48          1HD       LYS  48  -7.504   2.951 -11.843
  403   2HD   LYS  48          2HD       LYS  48  -6.374   4.213 -12.338
  404   1HE   LYS  48          1HE       LYS  48  -4.573   3.070 -11.142
  405   2HE   LYS  48          2HE       LYS  48  -5.700   1.811 -10.642
  406   1HZ   LYS  48          1HZ       LYS  48  -5.752   2.187 -13.461
  407   2HZ   LYS  48          2HZ       LYS  48  -4.184   1.840 -12.929
  408   3HZ   LYS  48          3HZ       LYS  48  -5.453   0.778 -12.573
  409    H    GLN  49           H        GLN  49  -8.011   8.525  -9.168
  410    HA   GLN  49           HA       GLN  49 -10.582   9.161 -10.332
  411   1HB   GLN  49          1HB       GLN  49 -11.101  10.796  -8.515
  412   2HB   GLN  49          2HB       GLN  49 -11.192   9.119  -8.002
  413   1HG   GLN  49          1HG       GLN  49  -8.992   9.310  -6.966
  414   2HG   GLN  49          2HG       GLN  49  -8.890  10.989  -7.489
  415   1HE2  GLN  49          2HE2      GLN  49 -12.045  10.478  -6.783
  416   2HE2  GLN  49          1HE2      GLN  49 -12.066  10.993  -5.136
  417    H    LEU  50           H        LEU  50  -9.675  10.123 -12.024
  418    HA   LEU  50           HA       LEU  50  -7.346  11.484 -12.291
  419   1HB   LEU  50          1HB       LEU  50  -9.983  11.977 -13.652
  420   2HB   LEU  50          2HB       LEU  50  -8.514  12.806 -14.123
  421    HG   LEU  50           HG       LEU  50  -8.960  10.922 -15.601
  422   1HD1  LEU  50          1HD1      LEU  50  -8.870   9.283 -13.074
  423   2HD1  LEU  50          2HD1      LEU  50 -10.210   9.448 -14.213
  424   3HD1  LEU  50          3HD1      LEU  50  -8.740   8.601 -14.697
  425   1HD2  LEU  50          1HD2      LEU  50  -6.557  10.996 -13.879
  426   2HD2  LEU  50          2HD2      LEU  50  -6.766   9.581 -14.912
  427   3HD2  LEU  50          3HD2      LEU  50  -6.714  11.193 -15.625
  428    H    GLU  51           H        GLU  51  -7.036  12.584 -10.280
  429    HA   GLU  51           HA       GLU  51  -7.473  15.373 -10.467
  430   1HB   GLU  51          1HB       GLU  51  -9.743  14.801  -9.768
  431   2HB   GLU  51          2HB       GLU  51  -9.113  13.917  -8.385
  432   1HG   GLU  51          1HG       GLU  51  -9.946  16.055  -7.676
  433   2HG   GLU  51          2HG       GLU  51  -8.196  16.009  -7.486
  434    H1   GLY  -1           H1       GLY  -1  -7.140  -8.126  12.103
  435    H2   GLY  -1           H2       GLY  -1  -7.852  -7.531  10.688
  436    H3   GLY  -1           H3       GLY  -1  -7.211  -9.096  10.719
  437   1HA   GLY  -1          1HA       GLY  -1  -5.919  -6.655  10.112
  438   2HA   GLY  -1          2HA       GLY  -1  -5.318  -8.294   9.937
  439    H    SER   0           H        SER   0  -4.276  -5.586  11.045
  440    HA   SER   0           HA       SER   0  -3.707  -5.979  13.782
  441   1HB   SER   0          1HB       SER   0  -2.377  -7.870  12.979
  442   2HB   SER   0          2HB       SER   0  -1.512  -6.808  11.868
  443    HG   SER   0           HG       SER   0  -1.484  -6.708  14.704
  444    H    MET   1           H        MET   1  -2.346  -4.739  10.742
  445    HA   MET   1           HA       MET   1  -1.627  -2.263  12.159
  446   1HB   MET   1          1HB       MET   1  -0.130  -1.851  10.184
  447   2HB   MET   1          2HB       MET   1   0.307  -3.242  11.167
  448   1HG   MET   1          1HG       MET   1  -0.673  -4.742   9.555
  449   2HG   MET   1          2HG       MET   1  -1.251  -3.383   8.597
  450   1HE   MET   1          1HE       MET   1   0.201  -1.525   8.039
  451   2HE   MET   1          2HE       MET   1   1.947  -1.492   8.285
  452   3HE   MET   1          3HE       MET   1   1.285  -1.974   6.723
  453    H    GLN   2           H        GLN   2  -2.961  -0.614  11.867
  454    HA   GLN   2           HA       GLN   2  -5.043  -0.550   9.991
  455   1HB   GLN   2          1HB       GLN   2  -3.763   1.669  11.592
  456   2HB   GLN   2          2HB       GLN   2  -5.223   1.871  10.637
  457   1HG   GLN   2          1HG       GLN   2  -6.366   0.221  12.003
  458   2HG   GLN   2          2HG       GLN   2  -4.899  -0.021  12.947
  459   1HE2  GLN   2          2HE2      GLN   2  -4.888   3.154  12.207
  460   2HE2  GLN   2          1HE2      GLN   2  -5.701   3.790  13.588
  461    H    ILE   3           H        ILE   3  -5.162   0.114   7.950
  462    HA   ILE   3           HA       ILE   3  -2.770   1.303   6.729
  463    HB   ILE   3           HB       ILE   3  -3.632   0.544   4.585
  464   1HG1  ILE   3          1HG1      ILE   3  -5.954  -0.574   6.167
  465   2HG1  ILE   3          2HG1      ILE   3  -6.030   0.790   5.062
  466   1HG2  ILE   3          1HG2      ILE   3  -2.260  -0.985   5.932
  467   2HG2  ILE   3          2HG2      ILE   3  -3.730  -1.674   6.624
  468   3HG2  ILE   3          3HG2      ILE   3  -3.401  -1.848   4.899
  469   1HD1  ILE   3          1HD1      ILE   3  -4.943  -1.636   3.865
  470   2HD1  ILE   3          2HD1      ILE   3  -6.610  -1.785   4.427
  471   3HD1  ILE   3          3HD1      ILE   3  -6.177  -0.524   3.272
  472    H    PHE   4           H        PHE   4  -2.876   3.226   5.632
  473    HA   PHE   4           HA       PHE   4  -5.259   4.829   6.102
  474   1HB   PHE   4          1HB       PHE   4  -2.531   5.551   5.008
  475   2HB   PHE   4          2HB       PHE   4  -3.846   6.701   5.207
  476    HD1  PHE   4           HD1      PHE   4  -3.496   8.107   6.969
  477    HD2  PHE   4           HD2      PHE   4  -2.363   4.023   7.359
  478    HE1  PHE   4           HE1      PHE   4  -2.785   8.529   9.286
  479    HE2  PHE   4           HE2      PHE   4  -1.652   4.437   9.677
  480    HZ   PHE   4           HZ       PHE   4  -1.863   6.692  10.644
  481    H    VAL   5           H        VAL   5  -6.729   5.314   4.577
  482    HA   VAL   5           HA       VAL   5  -6.019   5.018   1.755
  483    HB   VAL   5           HB       VAL   5  -8.416   3.640   2.977
  484   1HG1  VAL   5          1HG1      VAL   5  -8.695   4.579   0.662
  485   2HG1  VAL   5          2HG1      VAL   5  -7.422   3.475   0.142
  486   3HG1  VAL   5          3HG1      VAL   5  -8.927   2.837   0.802
  487   1HG2  VAL   5          1HG2      VAL   5  -6.353   2.468   3.512
  488   2HG2  VAL   5          2HG2      VAL   5  -7.301   1.555   2.338
  489   3HG2  VAL   5          3HG2      VAL   5  -5.891   2.474   1.810
  490    H    LYS   6           H        LYS   6  -6.963   6.483   0.470
  491    HA   LYS   6           HA       LYS   6  -8.808   8.388   1.700
  492   1HB   LYS   6          1HB       LYS   6  -7.354   8.550  -0.947
  493   2HB   LYS   6          2HB       LYS   6  -8.260   9.845  -0.177
  494   1HG   LYS   6          1HG       LYS   6  -5.770   8.569   0.933
  495   2HG   LYS   6          2HG       LYS   6  -5.842  10.114   0.082
  496   1HD   LYS   6          1HD       LYS   6  -7.319  11.001   1.820
  497   2HD   LYS   6          2HD       LYS   6  -7.245   9.458   2.670
  498   1HE   LYS   6          1HE       LYS   6  -4.894  11.250   2.085
  499   2HE   LYS   6          2HE       LYS   6  -5.719  11.124   3.636
  500   1HZ   LYS   6          1HZ       LYS   6  -5.006   8.549   2.807
  501   2HZ   LYS   6          2HZ       LYS   6  -3.642   9.535   2.648
  502   3HZ   LYS   6          3HZ       LYS   6  -4.429   9.416   4.140
  503    H    THR   7           H        THR   7 -10.921   8.435   1.198
  504    HA   THR   7           HA       THR   7 -11.988   6.510  -0.645
  505    HB   THR   7           HB       THR   7 -14.197   7.474  -0.053
  506    HG1  THR   7           HG1      THR   7 -12.760   9.574   0.623
  507   1HG2  THR   7          1HG2      THR   7 -12.256   6.490   1.964
  508   2HG2  THR   7          2HG2      THR   7 -13.789   7.124   2.558
  509   3HG2  THR   7          3HG2      THR   7 -13.775   5.782   1.415
  510    H    LEU   8           H        LEU   8 -14.208   8.068  -1.600
  511    HA   LEU   8           HA       LEU   8 -12.946   9.214  -3.929
  512   1HB   LEU   8          1HB       LEU   8 -15.772   8.607  -3.153
  513   2HB   LEU   8          2HB       LEU   8 -15.429   9.608  -4.550
  514    HG   LEU   8           HG       LEU   8 -14.237   7.800  -5.622
  515   1HD1  LEU   8          1HD1      LEU   8 -16.781   7.959  -5.638
  516   2HD1  LEU   8          2HD1      LEU   8 -16.052   6.438  -6.155
  517   3HD1  LEU   8          3HD1      LEU   8 -16.748   6.580  -4.540
  518   1HD2  LEU   8          1HD2      LEU   8 -14.347   6.609  -2.937
  519   2HD2  LEU   8          2HD2      LEU   8 -14.613   5.500  -4.283
  520   3HD2  LEU   8          3HD2      LEU   8 -13.133   6.455  -4.206
  521    H    THR   9           H        THR   9 -15.261  10.377  -1.478
  522    HA   THR   9           HA       THR   9 -15.126  13.079  -2.396
  523    HB   THR   9           HB       THR   9 -16.425  13.631  -0.379
  524    HG1  THR   9           HG1      THR   9 -16.748  11.004   0.396
  525   1HG2  THR   9          1HG2      THR   9 -17.294  12.293  -2.541
  526   2HG2  THR   9          2HG2      THR   9 -17.740  11.141  -1.283
  527   3HG2  THR   9          3HG2      THR   9 -18.356  12.792  -1.226
  528    H    GLY  10           H        GLY  10 -13.748  11.350   0.393
  529   1HA   GLY  10          1HA       GLY  10 -12.399  13.708   1.354
  530   2HA   GLY  10          2HA       GLY  10 -11.330  12.593   0.519
  531    H    LYS  11           H        LYS  11 -14.072  11.475   2.350
  532    HA   LYS  11           HA       LYS  11 -13.184  11.189   4.890
  533   1HB   LYS  11          1HB       LYS  11 -15.370  10.441   4.330
  534   2HB   LYS  11          2HB       LYS  11 -14.752   9.243   3.205
  535   1HG   LYS  11          1HG       LYS  11 -15.530   8.161   5.207
  536   2HG   LYS  11          2HG       LYS  11 -13.775   8.009   5.099
  537   1HD   LYS  11          1HD       LYS  11 -14.348   8.552   7.362
  538   2HD   LYS  11          2HD       LYS  11 -13.577   9.959   6.629
  539   1HE   LYS  11          1HE       LYS  11 -15.514  10.617   7.948
  540   2HE   LYS  11          2HE       LYS  11 -15.761  10.966   6.240
  541   1HZ   LYS  11          1HZ       LYS  11 -17.072   8.932   6.064
  542   2HZ   LYS  11          2HZ       LYS  11 -16.859   8.637   7.717
  543   3HZ   LYS  11          3HZ       LYS  11 -17.733   9.992   7.205
  544    H    THR  12           H        THR  12 -11.651  10.139   5.964
  545    HA   THR  12           HA       THR  12  -9.793   8.463   4.471
  546    HB   THR  12           HB       THR  12  -9.635   9.460   7.323
  547    HG1  THR  12           HG1      THR  12  -7.808  10.556   5.731
  548   1HG2  THR  12          1HG2      THR  12  -7.554   8.167   5.556
  549   2HG2  THR  12          2HG2      THR  12  -7.250   8.862   7.149
  550   3HG2  THR  12          3HG2      THR  12  -8.299   7.454   6.985
  551    H    ILE  13           H        ILE  13  -9.676   6.296   4.660
  552    HA   ILE  13           HA       ILE  13 -11.416   5.031   6.663
  553    HB   ILE  13           HB       ILE  13 -10.619   3.013   4.959
  554   1HG1  ILE  13          1HG1      ILE  13 -11.217   5.500   3.346
  555   2HG1  ILE  13          2HG1      ILE  13  -9.699   4.608   3.364
  556   1HG2  ILE  13          1HG2      ILE  13 -13.081   4.618   5.358
  557   2HG2  ILE  13          2HG2      ILE  13 -13.021   3.482   4.006
  558   3HG2  ILE  13          3HG2      ILE  13 -12.772   2.902   5.655
  559   1HD1  ILE  13          1HD1      ILE  13 -11.308   2.627   2.640
  560   2HD1  ILE  13          2HD1      ILE  13 -12.252   3.981   2.020
  561   3HD1  ILE  13          3HD1      ILE  13 -10.591   3.743   1.478
  562    H    THR  14           H        THR  14 -10.615   3.839   8.223
  563    HA   THR  14           HA       THR  14  -7.748   3.170   8.152
  564    HB   THR  14           HB       THR  14  -9.394   3.083  10.666
  565    HG1  THR  14           HG1      THR  14  -9.541   5.194  10.686
  566   1HG2  THR  14          1HG2      THR  14  -6.492   3.628  10.042
  567   2HG2  THR  14          2HG2      THR  14  -7.197   3.685  11.656
  568   3HG2  THR  14          3HG2      THR  14  -7.160   2.163  10.764
  569    H    LEU  15           H        LEU  15  -7.152   1.030   8.312
  570    HA   LEU  15           HA       LEU  15  -8.996  -0.972   9.223
  571   1HB   LEU  15          1HB       LEU  15 -10.070  -1.183   7.276
  572   2HB   LEU  15          2HB       LEU  15  -8.896  -0.205   6.427
  573    HG   LEU  15           HG       LEU  15  -7.442  -2.271   6.280
  574   1HD1  LEU  15          1HD1      LEU  15  -9.995  -1.756   4.885
  575   2HD1  LEU  15          2HD1      LEU  15  -8.350  -1.828   4.255
  576   3HD1  LEU  15          3HD1      LEU  15  -9.232  -3.319   4.596
  577   1HD2  LEU  15          1HD2      LEU  15  -8.980  -3.369   8.124
  578   2HD2  LEU  15          2HD2      LEU  15  -9.893  -3.890   6.708
  579   3HD2  LEU  15          3HD2      LEU  15  -8.195  -4.336   6.876
  580    H    GLU  16           H        GLU  16  -7.735  -2.291  10.313
  581    HA   GLU  16           HA       GLU  16  -4.935  -2.562   9.788
  582   1HB   GLU  16          1HB       GLU  16  -4.970  -4.095  11.714
  583   2HB   GLU  16          2HB       GLU  16  -5.777  -2.572  12.067
  584   1HG   GLU  16          1HG       GLU  16  -7.949  -3.694  11.602
  585   2HG   GLU  16          2HG       GLU  16  -7.075  -5.216  11.448
  586    H    VAL  17           H        VAL  17  -3.833  -4.251   8.909
  587    HA   VAL  17           HA       VAL  17  -5.194  -6.718   8.208
  588    HB   VAL  17           HB       VAL  17  -4.448  -6.609   5.830
  589   1HG1  VAL  17          1HG1      VAL  17  -6.775  -6.005   6.678
  590   2HG1  VAL  17          2HG1      VAL  17  -6.303  -4.328   6.414
  591   3HG1  VAL  17          3HG1      VAL  17  -6.334  -5.459   5.061
  592   1HG2  VAL  17          1HG2      VAL  17  -3.483  -3.988   6.748
  593   2HG2  VAL  17          2HG2      VAL  17  -2.886  -5.035   5.461
  594   3HG2  VAL  17          3HG2      VAL  17  -4.286  -4.002   5.180
  595    H    GLU  18           H        GLU  18  -3.833  -8.437   8.126
  596    HA   GLU  18           HA       GLU  18  -1.226  -8.147   9.187
  597   1HB   GLU  18          1HB       GLU  18  -2.439 -10.557   7.829
  598   2HB   GLU  18          2HB       GLU  18  -1.033 -10.556   8.882
  599   1HG   GLU  18          1HG       GLU  18  -2.430  -9.816  10.746
  600   2HG   GLU  18          2HG       GLU  18  -3.841  -9.830   9.688
  601    HA   PRO  19           HA       PRO  19   1.296  -7.244   5.673
  602   1HB   PRO  19          1HB       PRO  19   3.452  -8.863   6.397
  603   2HB   PRO  19          2HB       PRO  19   3.210  -7.189   6.885
  604   1HG   PRO  19          1HG       PRO  19   2.624  -9.698   8.374
  605   2HG   PRO  19          2HG       PRO  19   3.219  -8.143   8.982
  606   1HD   PRO  19          1HD       PRO  19   0.673  -8.884   9.328
  607   2HD   PRO  19          2HD       PRO  19   1.101  -7.194   8.989
  608    H    SER  20           H        SER  20   1.026 -10.596   6.738
  609    HA   SER  20           HA       SER  20   1.965 -11.807   4.384
  610   1HB   SER  20          1HB       SER  20   1.815 -12.988   6.516
  611   2HB   SER  20          2HB       SER  20   0.059 -12.867   6.478
  612    HG   SER  20           HG       SER  20   0.724 -14.892   5.715
  613    H    ASP  21           H        ASP  21  -1.193 -10.622   5.326
  614    HA   ASP  21           HA       ASP  21  -2.783 -11.900   3.434
  615   1HB   ASP  21          1HB       ASP  21  -3.009  -9.208   4.770
  616   2HB   ASP  21          2HB       ASP  21  -4.230  -9.795   3.646
  617    H    THR  22           H        THR  22  -3.124 -11.674   1.321
  618    HA   THR  22           HA       THR  22  -1.278 -10.375  -0.327
  619    HB   THR  22           HB       THR  22  -2.796 -10.896  -2.189
  620    HG1  THR  22           HG1      THR  22  -4.707 -12.267  -1.093
  621   1HG2  THR  22          1HG2      THR  22  -1.328 -12.639  -1.209
  622   2HG2  THR  22          2HG2      THR  22  -2.669 -13.146  -0.182
  623   3HG2  THR  22          3HG2      THR  22  -2.794 -13.299  -1.935
  624    H    ILE  23           H        ILE  23  -1.438  -8.584  -1.683
  625    HA   ILE  23           HA       ILE  23  -2.501  -6.256  -0.599
  626    HB   ILE  23           HB       ILE  23  -1.855  -6.786  -3.504
  627   1HG1  ILE  23          1HG1      ILE  23  -0.148  -5.625  -1.289
  628   2HG1  ILE  23          2HG1      ILE  23   0.034  -7.234  -1.982
  629   1HG2  ILE  23          1HG2      ILE  23  -3.244  -4.791  -3.173
  630   2HG2  ILE  23          2HG2      ILE  23  -2.065  -4.171  -2.017
  631   3HG2  ILE  23          3HG2      ILE  23  -1.617  -4.375  -3.710
  632   1HD1  ILE  23          1HD1      ILE  23   0.153  -4.901  -3.814
  633   2HD1  ILE  23          2HD1      ILE  23   1.529  -5.217  -2.756
  634   3HD1  ILE  23          3HD1      ILE  23   0.991  -6.452  -3.893
  635    H    GLU  24           H        GLU  24  -3.799  -8.343  -3.162
  636    HA   GLU  24           HA       GLU  24  -6.039  -6.804  -3.816
  637   1HB   GLU  24          1HB       GLU  24  -6.986  -8.898  -4.719
  638   2HB   GLU  24          2HB       GLU  24  -5.318  -8.651  -5.213
  639   1HG   GLU  24          1HG       GLU  24  -4.574 -10.226  -3.503
  640   2HG   GLU  24          2HG       GLU  24  -6.248 -10.476  -3.009
  641    H    ASN  25           H        ASN  25  -5.591  -9.294  -1.348
  642    HA   ASN  25           HA       ASN  25  -8.259  -9.466  -0.487
  643   1HB   ASN  25          1HB       ASN  25  -6.618 -11.133   0.160
  644   2HB   ASN  25          2HB       ASN  25  -5.680  -9.924   1.028
  645   1HD2  ASN  25          2HD2      ASN  25  -5.867 -10.152   3.116
  646   2HD2  ASN  25          1HD2      ASN  25  -7.303 -10.583   3.977
  647    H    VAL  26           H        VAL  26  -5.581  -7.417   0.569
  648    HA   VAL  26           HA       VAL  26  -6.878  -6.127   2.696
  649    HB   VAL  26           HB       VAL  26  -4.579  -5.352   0.927
  650   1HG1  VAL  26          1HG1      VAL  26  -4.932  -6.769   3.414
  651   2HG1  VAL  26          2HG1      VAL  26  -3.516  -6.661   2.368
  652   3HG1  VAL  26          3HG1      VAL  26  -3.808  -5.421   3.589
  653   1HG2  VAL  26          1HG2      VAL  26  -5.693  -3.274   1.529
  654   2HG2  VAL  26          2HG2      VAL  26  -5.648  -3.734   3.230
  655   3HG2  VAL  26          3HG2      VAL  26  -4.145  -3.432   2.359
  656    H    LYS  27           H        LYS  27  -6.529  -5.181  -0.710
  657    HA   LYS  27           HA       LYS  27  -7.945  -2.754  -0.499
  658   1HB   LYS  27          1HB       LYS  27  -7.590  -4.503  -2.938
  659   2HB   LYS  27          2HB       LYS  27  -8.017  -2.796  -2.933
  660   1HG   LYS  27          1HG       LYS  27  -5.845  -2.279  -1.898
  661   2HG   LYS  27          2HG       LYS  27  -5.420  -3.988  -1.982
  662   1HD   LYS  27          1HD       LYS  27  -6.023  -2.186  -4.324
  663   2HD   LYS  27          2HD       LYS  27  -4.429  -2.760  -3.835
  664   1HE   LYS  27          1HE       LYS  27  -5.159  -5.074  -4.238
  665   2HE   LYS  27          2HE       LYS  27  -6.727  -4.472  -4.771
  666   1HZ   LYS  27          1HZ       LYS  27  -4.209  -3.612  -6.059
  667   2HZ   LYS  27          2HZ       LYS  27  -5.033  -5.005  -6.553
  668   3HZ   LYS  27          3HZ       LYS  27  -5.786  -3.494  -6.656
  669    H    ALA  28           H        ALA  28  -8.978  -6.051  -1.169
  670    HA   ALA  28           HA       ALA  28 -11.560  -5.567  -2.084
  671   1HB   ALA  28          1HB       ALA  28 -11.735  -7.786  -2.075
  672   2HB   ALA  28          2HB       ALA  28 -11.417  -7.887  -0.342
  673   3HB   ALA  28          3HB       ALA  28 -10.073  -7.806  -1.482
  674    H    LYS  29           H        LYS  29 -10.271  -5.517   1.171
  675    HA   LYS  29           HA       LYS  29 -12.773  -5.508   2.524
  676   1HB   LYS  29          1HB       LYS  29 -10.206  -4.276   3.528
  677   2HB   LYS  29          2HB       LYS  29 -11.526  -4.937   4.478
  678   1HG   LYS  29          1HG       LYS  29 -10.991  -7.179   3.663
  679   2HG   LYS  29          2HG       LYS  29  -9.661  -6.504   2.717
  680   1HD   LYS  29          1HD       LYS  29  -8.589  -5.724   4.771
  681   2HD   LYS  29          2HD       LYS  29  -9.923  -6.379   5.722
  682   1HE   LYS  29          1HE       LYS  29  -8.042  -7.968   3.981
  683   2HE   LYS  29          2HE       LYS  29  -7.992  -7.877   5.741
  684   1HZ   LYS  29          1HZ       LYS  29 -10.323  -8.890   4.211
  685   2HZ   LYS  29          2HZ       LYS  29  -9.113  -9.885   4.849
  686   3HZ   LYS  29          3HZ       LYS  29 -10.085  -8.968   5.884
  687    H    ILE  30           H        ILE  30 -10.696  -3.091   1.115
  688    HA   ILE  30           HA       ILE  30 -11.826  -0.801   2.254
  689    HB   ILE  30           HB       ILE  30 -10.530  -1.075  -0.454
  690   1HG1  ILE  30          1HG1      ILE  30  -9.343  -0.355   2.238
  691   2HG1  ILE  30          2HG1      ILE  30  -9.103  -1.880   1.394
  692   1HG2  ILE  30          1HG2      ILE  30 -11.363   1.268   1.209
  693   2HG2  ILE  30          2HG2      ILE  30  -9.943   1.397   0.168
  694   3HG2  ILE  30          3HG2      ILE  30 -11.516   1.013  -0.531
  695   1HD1  ILE  30          1HD1      ILE  30  -8.094  -0.530  -0.484
  696   2HD1  ILE  30          2HD1      ILE  30  -8.100   0.839   0.628
  697   3HD1  ILE  30          3HD1      ILE  30  -7.169  -0.606   1.016
  698    H    GLN  31           H        GLN  31 -12.715  -2.574  -0.722
  699    HA   GLN  31           HA       GLN  31 -14.690  -0.699  -1.530
  700   1HB   GLN  31          1HB       GLN  31 -15.468  -2.374  -3.072
  701   2HB   GLN  31          2HB       GLN  31 -13.714  -2.433  -3.045
  702   1HG   GLN  31          1HG       GLN  31 -13.795  -4.370  -1.576
  703   2HG   GLN  31          2HG       GLN  31 -15.553  -4.302  -1.577
  704   1HE2  GLN  31          2HE2      GLN  31 -14.731  -3.392  -4.583
  705   2HE2  GLN  31          1HE2      GLN  31 -14.753  -4.924  -5.375
  706    H    ASP  32           H        ASP  32 -14.763  -3.698   0.339
  707    HA   ASP  32           HA       ASP  32 -17.521  -3.774   0.844
  708   1HB   ASP  32          1HB       ASP  32 -15.981  -5.649   1.364
  709   2HB   ASP  32          2HB       ASP  32 -15.249  -4.678   2.637
  710    H    LYS  33           H        LYS  33 -14.874  -2.005   2.144
  711    HA   LYS  33           HA       LYS  33 -16.175  -0.923   4.434
  712   1HB   LYS  33          1HB       LYS  33 -13.659  -1.212   3.978
  713   2HB   LYS  33          2HB       LYS  33 -13.792   0.256   3.022
  714   1HG   LYS  33          1HG       LYS  33 -12.987   0.763   5.232
  715   2HG   LYS  33          2HG       LYS  33 -14.590   1.459   5.000
  716   1HD   LYS  33          1HD       LYS  33 -15.576  -0.433   6.212
  717   2HD   LYS  33          2HD       LYS  33 -13.964  -1.109   6.455
  718   1HE   LYS  33          1HE       LYS  33 -14.757   0.102   8.434
  719   2HE   LYS  33          2HE       LYS  33 -13.312   0.839   7.742
  720   1HZ   LYS  33          1HZ       LYS  33 -16.066   1.784   7.175
  721   2HZ   LYS  33          2HZ       LYS  33 -15.084   2.438   8.388
  722   3HZ   LYS  33          3HZ       LYS  33 -14.615   2.551   6.767
  723    H    GLU  34           H        GLU  34 -15.812   0.018   1.080
  724    HA   GLU  34           HA       GLU  34 -17.720   2.198   1.521
  725   1HB   GLU  34          1HB       GLU  34 -15.532   3.270   1.498
  726   2HB   GLU  34          2HB       GLU  34 -15.129   2.473  -0.012
  727   1HG   GLU  34          1HG       GLU  34 -15.716   4.760  -0.440
  728   2HG   GLU  34          2HG       GLU  34 -16.944   3.700  -1.124
  729    H    GLY  35           H        GLY  35 -15.813   0.818  -1.192
  730   1HA   GLY  35          1HA       GLY  35 -18.136   0.967  -2.913
  731   2HA   GLY  35          2HA       GLY  35 -17.677  -0.665  -2.463
  732    H    ILE  36           H        ILE  36 -15.386   1.928  -2.988
  733    HA   ILE  36           HA       ILE  36 -14.815   1.690  -5.653
  734    HB   ILE  36           HB       ILE  36 -12.295   1.936  -4.429
  735   1HG1  ILE  36          1HG1      ILE  36 -12.772   3.803  -2.815
  736   2HG1  ILE  36          2HG1      ILE  36 -14.474   3.355  -2.883
  737   1HG2  ILE  36          1HG2      ILE  36 -13.318   3.109  -6.405
  738   2HG2  ILE  36          2HG2      ILE  36 -14.098   4.190  -5.247
  739   3HG2  ILE  36          3HG2      ILE  36 -12.336   4.104  -5.329
  740   1HD1  ILE  36          1HD1      ILE  36 -12.236   1.571  -1.952
  741   2HD1  ILE  36          2HD1      ILE  36 -13.359   2.447  -0.912
  742   3HD1  ILE  36          3HD1      ILE  36 -13.954   1.170  -1.971
  743    HA   PRO  37           HA       PRO  37 -13.421  -2.480  -6.301
  744   1HB   PRO  37          1HB       PRO  37 -11.951  -1.164  -8.532
  745   2HB   PRO  37          2HB       PRO  37 -13.024  -2.566  -8.568
  746   1HG   PRO  37          1HG       PRO  37 -13.854  -0.213  -9.480
  747   2HG   PRO  37          2HG       PRO  37 -14.945  -1.255  -8.546
  748   1HD   PRO  37          1HD       PRO  37 -13.466   1.198  -7.688
  749   2HD   PRO  37          2HD       PRO  37 -15.102   0.663  -7.262
  750    HA   PRO  38           HA       PRO  38  -9.520  -2.515  -4.181
  751   1HB   PRO  38          1HB       PRO  38  -9.072  -4.980  -5.797
  752   2HB   PRO  38          2HB       PRO  38  -8.929  -4.737  -4.054
  753   1HG   PRO  38          1HG       PRO  38 -11.025  -6.018  -5.070
  754   2HG   PRO  38          2HG       PRO  38 -11.220  -4.897  -3.711
  755   1HD   PRO  38          1HD       PRO  38 -11.888  -4.518  -6.596
  756   2HD   PRO  38          2HD       PRO  38 -12.739  -3.930  -5.153
  757    H    ASP  39           H        ASP  39  -9.614  -3.202  -7.655
  758    HA   ASP  39           HA       ASP  39  -6.894  -2.831  -8.193
  759   1HB   ASP  39          1HB       ASP  39  -9.264  -2.342 -10.007
  760   2HB   ASP  39          2HB       ASP  39  -7.592  -2.506 -10.533
  761    H    GLN  40           H        GLN  40  -9.552  -0.508  -8.002
  762    HA   GLN  40           HA       GLN  40  -8.181   1.661  -9.124
  763   1HB   GLN  40          1HB       GLN  40 -10.437   1.639  -7.122
  764   2HB   GLN  40          2HB       GLN  40  -9.877   3.070  -7.977
  765   1HG   GLN  40          1HG       GLN  40 -10.396   1.903 -10.118
  766   2HG   GLN  40          2HG       GLN  40 -11.119   0.606  -9.172
  767   1HE2  GLN  40          2HE2      GLN  40 -11.650   3.405  -7.523
  768   2HE2  GLN  40          1HE2      GLN  40 -13.218   3.795  -8.127
  769    H    GLN  41           H        GLN  41  -8.320   0.492  -5.786
  770    HA   GLN  41           HA       GLN  41  -7.147   2.645  -4.488
  771   1HB   GLN  41          1HB       GLN  41  -6.984  -0.316  -3.963
  772   2HB   GLN  41          2HB       GLN  41  -6.204   0.855  -2.911
  773   1HG   GLN  41          1HG       GLN  41  -8.336   0.197  -2.000
  774   2HG   GLN  41          2HG       GLN  41  -8.370   1.896  -2.464
  775   1HE2  GLN  41          2HE2      GLN  41  -9.989  -0.989  -2.604
  776   2HE2  GLN  41          1HE2      GLN  41 -11.088  -0.628  -3.886
  777    H    ARG  42           H        ARG  42  -5.199   3.569  -4.572
  778    HA   ARG  42           HA       ARG  42  -3.152   2.331  -6.192
  779   1HB   ARG  42          1HB       ARG  42  -3.331   5.099  -5.020
  780   2HB   ARG  42          2HB       ARG  42  -2.022   4.536  -6.046
  781   1HG   ARG  42          1HG       ARG  42  -3.606   4.169  -7.870
  782   2HG   ARG  42          2HG       ARG  42  -4.918   4.744  -6.840
  783   1HD   ARG  42          1HD       ARG  42  -3.821   6.921  -6.655
  784   2HD   ARG  42          2HD       ARG  42  -2.506   6.347  -7.681
  785    HE   ARG  42           HE       ARG  42  -4.918   5.996  -9.054
  786   1HH1  ARG  42          1HH1      ARG  42  -2.876   8.570  -7.894
  787   2HH1  ARG  42          2HH1      ARG  42  -3.356   9.682  -9.134
  788   1HH2  ARG  42          1HH2      ARG  42  -5.554   7.450 -10.688
  789   2HH2  ARG  42          2HH2      ARG  42  -4.879   9.045 -10.721
  790    H    LEU  43           H        LEU  43  -1.378   1.389  -5.436
  791    HA   LEU  43           HA       LEU  43  -0.973   1.098  -2.624
  792   1HB   LEU  43          1HB       LEU  43   0.361   0.108  -5.090
  793   2HB   LEU  43          2HB       LEU  43   1.276   0.067  -3.598
  794    HG   LEU  43           HG       LEU  43  -0.316  -1.399  -2.572
  795   1HD1  LEU  43          1HD1      LEU  43  -2.327  -0.346  -3.608
  796   2HD1  LEU  43          2HD1      LEU  43  -1.974  -1.249  -5.081
  797   3HD1  LEU  43          3HD1      LEU  43  -2.354  -2.111  -3.590
  798   1HD2  LEU  43          1HD2      LEU  43   0.878  -2.062  -5.158
  799   2HD2  LEU  43          2HD2      LEU  43   0.976  -2.900  -3.608
  800   3HD2  LEU  43          3HD2      LEU  43  -0.424  -3.140  -4.655
  801    H    ILE  44           H        ILE  44   0.257   2.235  -1.290
  802    HA   ILE  44           HA       ILE  44   2.442   3.868  -2.331
  803    HB   ILE  44           HB       ILE  44   0.233   4.997  -0.610
  804   1HG1  ILE  44          1HG1      ILE  44   1.114   5.727  -3.411
  805   2HG1  ILE  44          2HG1      ILE  44  -0.318   4.784  -3.018
  806   1HG2  ILE  44          1HG2      ILE  44   2.712   5.696  -0.220
  807   2HG2  ILE  44          2HG2      ILE  44   2.494   6.605  -1.715
  808   3HG2  ILE  44          3HG2      ILE  44   1.458   6.930  -0.324
  809   1HD1  ILE  44          1HD1      ILE  44   0.131   7.584  -2.039
  810   2HD1  ILE  44          2HD1      ILE  44  -0.725   7.191  -3.530
  811   3HD1  ILE  44          3HD1      ILE  44  -1.357   6.637  -1.979
  812    H    PHE  45           H        PHE  45   4.179   3.814  -1.031
  813    HA   PHE  45           HA       PHE  45   3.814   2.936   1.756
  814   1HB   PHE  45          1HB       PHE  45   6.030   2.046  -0.106
  815   2HB   PHE  45          2HB       PHE  45   5.845   1.576   1.580
  816    HD1  PHE  45           HD1      PHE  45   3.913   1.507  -1.616
  817    HD2  PHE  45           HD2      PHE  45   4.886  -0.451   2.035
  818    HE1  PHE  45           HE1      PHE  45   2.569  -0.434  -2.304
  819    HE2  PHE  45           HE2      PHE  45   3.543  -2.397   1.352
  820    HZ   PHE  45           HZ       PHE  45   2.383  -2.390  -0.820
  821    H    ALA  46           H        ALA  46   5.236   3.817   3.286
  822    HA   ALA  46           HA       ALA  46   7.366   5.573   2.412
  823   1HB   ALA  46          1HB       ALA  46   5.845   7.273   2.196
  824   2HB   ALA  46          2HB       ALA  46   4.783   6.629   3.450
  825   3HB   ALA  46          3HB       ALA  46   6.279   7.449   3.897
  826    H    GLY  47           H        GLY  47   8.991   5.425   3.800
  827   1HA   GLY  47          1HA       GLY  47  10.192   4.933   5.691
  828   2HA   GLY  47          2HA       GLY  47   8.863   3.879   6.143
  829    H    LYS  48           H        LYS  48   8.604   4.339   8.258
  830    HA   LYS  48           HA       LYS  48   7.216   6.648   9.036
  831   1HB   LYS  48          1HB       LYS  48   8.784   4.698  10.730
  832   2HB   LYS  48          2HB       LYS  48   7.665   5.901  11.357
  833   1HG   LYS  48          1HG       LYS  48   5.850   4.820  10.066
  834   2HG   LYS  48          2HG       LYS  48   6.995   3.566   9.580
  835   1HD   LYS  48          1HD       LYS  48   7.358   2.989  11.930
  836   2HD   LYS  48          2HD       LYS  48   6.216   4.245  12.413
  837   1HE   LYS  48          1HE       LYS  48   4.433   3.088  11.201
  838   2HE   LYS  48          2HE       LYS  48   5.573   1.835  10.716
  839   1HZ   LYS  48          1HZ       LYS  48   5.597   2.220  13.534
  840   2HZ   LYS  48          2HZ       LYS  48   4.036   1.864  12.989
  841   3HZ   LYS  48          3HZ       LYS  48   5.310   0.807  12.647
  842    H    GLN  49           H        GLN  49   7.813   8.583   9.369
  843    HA   GLN  49           HA       GLN  49  10.358   9.220  10.587
  844   1HB   GLN  49          1HB       GLN  49  10.892  10.920   8.842
  845   2HB   GLN  49          2HB       GLN  49  10.998   9.267   8.260
  846   1HG   GLN  49          1HG       GLN  49   8.792   9.499   7.222
  847   2HG   GLN  49          2HG       GLN  49   8.713  11.166   7.787
  848   1HE2  GLN  49          2HE2      GLN  49  11.866  10.610   7.086
  849   2HE2  GLN  49          1HE2      GLN  49  11.906  11.170   5.453
  850    H    LEU  50           H        LEU  50   9.765  10.457  12.214
  851    HA   LEU  50           HA       LEU  50   7.288  11.668  12.523
  852   1HB   LEU  50          1HB       LEU  50   9.927  12.242  13.853
  853   2HB   LEU  50          2HB       LEU  50   8.440  13.038  14.326
  854    HG   LEU  50           HG       LEU  50   8.927  11.204  15.837
  855   1HD1  LEU  50          1HD1      LEU  50   9.363   9.729  13.325
  856   2HD1  LEU  50          2HD1      LEU  50  10.135   9.550  14.899
  857   3HD1  LEU  50          3HD1      LEU  50   8.545   8.846  14.611
  858   1HD2  LEU  50          1HD2      LEU  50   6.542  11.164  14.103
  859   2HD2  LEU  50          2HD2      LEU  50   6.805   9.739  15.108
  860   3HD2  LEU  50          3HD2      LEU  50   6.675  11.331  15.854
  861    H    GLU  51           H        GLU  51   6.951  12.709  10.484
  862    HA   GLU  51           HA       GLU  51   7.332  15.507  10.600
  863   1HB   GLU  51          1HB       GLU  51   9.616  14.944   9.904
  864   2HB   GLU  51          2HB       GLU  51   8.985  14.054   8.525
  865   1HG   GLU  51          1HG       GLU  51   9.789  16.203   7.813
  866   2HG   GLU  51          2HG       GLU  51   8.038  16.135   7.635

  No H/Q in entry =         866
  Start of MODEL   15
    1    H1   GLY  -1           H1       GLY  -1   4.544  -4.220 -16.156
    2    H2   GLY  -1           H2       GLY  -1   5.986  -3.892 -15.335
    3    H3   GLY  -1           H3       GLY  -1   6.027  -4.639 -16.852
    4   1HA   GLY  -1          1HA       GLY  -1   6.225  -5.978 -14.571
    5   2HA   GLY  -1          2HA       GLY  -1   5.577  -6.670 -16.048
    6    H    SER   0           H        SER   0   5.039  -6.852 -12.987
    7    HA   SER   0           HA       SER   0   2.342  -7.607 -13.183
    8   1HB   SER   0          1HB       SER   0   2.425  -7.804 -10.723
    9   2HB   SER   0          2HB       SER   0   3.850  -8.519 -11.477
   10    HG   SER   0           HG       SER   0   4.620  -6.140 -11.081
   11    H    MET   1           H        MET   1   3.728  -4.874 -11.367
   12    HA   MET   1           HA       MET   1   1.997  -2.909 -12.280
   13   1HB   MET   1          1HB       MET   1   0.477  -2.657 -10.318
   14   2HB   MET   1          2HB       MET   1   0.163  -4.097 -11.273
   15   1HG   MET   1          1HG       MET   1   1.293  -5.473  -9.644
   16   2HG   MET   1          2HG       MET   1   1.742  -4.048  -8.713
   17   1HE   MET   1          1HE       MET   1   0.136  -2.344  -8.074
   18   2HE   MET   1          2HE       MET   1  -1.538  -2.432  -8.628
   19   3HE   MET   1          3HE       MET   1  -1.141  -2.824  -6.954
   20    H    GLN   2           H        GLN   2   3.344  -1.263 -12.010
   21    HA   GLN   2           HA       GLN   2   5.304  -1.163  -9.967
   22   1HB   GLN   2          1HB       GLN   2   5.838   1.039 -10.863
   23   2HB   GLN   2          2HB       GLN   2   5.636  -0.130 -12.157
   24   1HG   GLN   2          1HG       GLN   2   3.354   0.728 -12.525
   25   2HG   GLN   2          2HG       GLN   2   3.648   1.953 -11.294
   26   1HE2  GLN   2          2HE2      GLN   2   4.130   3.851 -12.100
   27   2HE2  GLN   2          1HE2      GLN   2   5.005   4.153 -13.558
   28    H    ILE   3           H        ILE   3   5.255  -0.332  -8.004
   29    HA   ILE   3           HA       ILE   3   2.785   0.920  -7.052
   30    HB   ILE   3           HB       ILE   3   3.614   0.399  -4.804
   31   1HG1  ILE   3          1HG1      ILE   3   6.026  -0.527  -6.350
   32   2HG1  ILE   3          2HG1      ILE   3   5.959   0.595  -5.001
   33   1HG2  ILE   3          1HG2      ILE   3   2.268  -1.251  -5.980
   34   2HG2  ILE   3          2HG2      ILE   3   3.721  -1.945  -6.699
   35   3HG2  ILE   3          3HG2      ILE   3   3.466  -2.042  -4.956
   36   1HD1  ILE   3          1HD1      ILE   3   5.026  -2.095  -4.354
   37   2HD1  ILE   3          2HD1      ILE   3   6.723  -1.999  -4.845
   38   3HD1  ILE   3          3HD1      ILE   3   6.132  -1.028  -3.488
   39    H    PHE   4           H        PHE   4   2.770   2.852  -5.887
   40    HA   PHE   4           HA       PHE   4   5.018   4.625  -6.447
   41   1HB   PHE   4          1HB       PHE   4   2.276   5.173  -5.290
   42   2HB   PHE   4          2HB       PHE   4   3.500   6.405  -5.558
   43    HD1  PHE   4           HD1      PHE   4   3.241   7.679  -7.427
   44    HD2  PHE   4           HD2      PHE   4   1.895   3.644  -7.503
   45    HE1  PHE   4           HE1      PHE   4   2.427   7.999  -9.726
   46    HE2  PHE   4           HE2      PHE   4   1.079   3.955  -9.803
   47    HZ   PHE   4           HZ       PHE   4   1.345   6.135 -10.917
   48    H    VAL   5           H        VAL   5   6.514   5.151  -4.966
   49    HA   VAL   5           HA       VAL   5   5.869   5.042  -2.126
   50    HB   VAL   5           HB       VAL   5   8.139   3.419  -3.293
   51   1HG1  VAL   5          1HG1      VAL   5   5.426   2.714  -2.316
   52   2HG1  VAL   5          2HG1      VAL   5   6.384   2.002  -3.613
   53   3HG1  VAL   5          3HG1      VAL   5   6.753   1.617  -1.933
   54   1HG2  VAL   5          1HG2      VAL   5   8.722   4.486  -1.162
   55   2HG2  VAL   5          2HG2      VAL   5   7.296   3.763  -0.417
   56   3HG2  VAL   5          3HG2      VAL   5   8.601   2.734  -1.007
   57    H    LYS   6           H        LYS   6   6.992   6.501  -0.939
   58    HA   LYS   6           HA       LYS   6   8.994   8.111  -2.368
   59   1HB   LYS   6          1HB       LYS   6   7.031   9.346  -1.570
   60   2HB   LYS   6          2HB       LYS   6   7.331   8.785   0.069
   61   1HG   LYS   6          1HG       LYS   6   9.446  10.002   0.105
   62   2HG   LYS   6          2HG       LYS   6   9.155  10.559  -1.543
   63   1HD   LYS   6          1HD       LYS   6   7.397  11.153   0.835
   64   2HD   LYS   6          2HD       LYS   6   8.572  12.263   0.133
   65   1HE   LYS   6          1HE       LYS   6   6.161  11.117  -1.269
   66   2HE   LYS   6          2HE       LYS   6   6.309  12.757  -0.642
   67   1HZ   LYS   6          1HZ       LYS   6   8.499  12.329  -2.287
   68   2HZ   LYS   6          2HZ       LYS   6   7.159  11.734  -3.130
   69   3HZ   LYS   6          3HZ       LYS   6   7.170  13.334  -2.582
   70    H    THR   7           H        THR   7  11.066   8.117  -1.703
   71    HA   THR   7           HA       THR   7  11.931   6.298   0.294
   72    HB   THR   7           HB       THR   7  14.187   7.251  -0.074
   73    HG1  THR   7           HG1      THR   7  14.125   9.301  -0.644
   74   1HG2  THR   7          1HG2      THR   7  12.456   6.386  -2.345
   75   2HG2  THR   7          2HG2      THR   7  14.108   6.902  -2.681
   76   3HG2  THR   7          3HG2      THR   7  13.811   5.555  -1.582
   77    H    LEU   8           H        LEU   8  14.048   7.855   1.483
   78    HA   LEU   8           HA       LEU   8  12.508   9.032   3.635
   79   1HB   LEU   8          1HB       LEU   8  15.500   8.743   3.418
   80   2HB   LEU   8          2HB       LEU   8  14.581   9.097   4.868
   81    HG   LEU   8           HG       LEU   8  13.452   6.776   4.357
   82   1HD1  LEU   8          1HD1      LEU   8  16.070   6.603   2.886
   83   2HD1  LEU   8          2HD1      LEU   8  15.125   5.205   3.400
   84   3HD1  LEU   8          3HD1      LEU   8  14.452   6.345   2.234
   85   1HD2  LEU   8          1HD2      LEU   8  14.775   7.333   6.342
   86   2HD2  LEU   8          2HD2      LEU   8  15.084   5.694   5.771
   87   3HD2  LEU   8          3HD2      LEU   8  16.251   6.974   5.446
   88    H    THR   9           H        THR   9  15.172  10.071   1.507
   89    HA   THR   9           HA       THR   9  15.092  12.774   2.402
   90    HB   THR   9           HB       THR   9  16.587  13.252   0.502
   91    HG1  THR   9           HG1      THR   9  16.410  10.492  -0.146
   92   1HG2  THR   9          1HG2      THR   9  17.177  10.852   2.215
   93   2HG2  THR   9          2HG2      THR   9  18.378  11.538   1.123
   94   3HG2  THR   9          3HG2      THR   9  17.717  12.517   2.432
   95    H    GLY  10           H        GLY  10  13.870  11.133  -0.514
   96   1HA   GLY  10          1HA       GLY  10  12.761  13.565  -1.580
   97   2HA   GLY  10          2HA       GLY  10  11.553  12.533  -0.835
   98    H    LYS  11           H        LYS  11  14.360  11.246  -2.468
   99    HA   LYS  11           HA       LYS  11  13.602  11.008  -5.063
  100   1HB   LYS  11          1HB       LYS  11  15.734  10.172  -4.199
  101   2HB   LYS  11          2HB       LYS  11  14.903   8.853  -3.391
  102   1HG   LYS  11          1HG       LYS  11  14.184   7.987  -5.572
  103   2HG   LYS  11          2HG       LYS  11  15.065   9.294  -6.365
  104   1HD   LYS  11          1HD       LYS  11  17.154   8.476  -5.374
  105   2HD   LYS  11          2HD       LYS  11  16.267   7.162  -4.601
  106   1HE   LYS  11          1HE       LYS  11  15.606   6.317  -6.800
  107   2HE   LYS  11          2HE       LYS  11  16.494   7.629  -7.572
  108   1HZ   LYS  11          1HZ       LYS  11  18.532   6.764  -6.556
  109   2HZ   LYS  11          2HZ       LYS  11  17.660   5.472  -5.899
  110   3HZ   LYS  11          3HZ       LYS  11  17.805   5.626  -7.577
  111    H    THR  12           H        THR  12  12.061  10.037  -6.202
  112    HA   THR  12           HA       THR  12  10.067   8.456  -4.793
  113    HB   THR  12           HB       THR  12  10.071   9.436  -7.652
  114    HG1  THR  12           HG1      THR  12   8.699  11.069  -6.833
  115   1HG2  THR  12          1HG2      THR  12   8.060   8.002  -5.962
  116   2HG2  THR  12          2HG2      THR  12   7.522   9.105  -7.228
  117   3HG2  THR  12          3HG2      THR  12   8.521   7.711  -7.639
  118    H    ILE  13           H        ILE  13   9.640   6.336  -5.141
  119    HA   ILE  13           HA       ILE  13  11.275   4.939  -7.151
  120    HB   ILE  13           HB       ILE  13  10.988   2.921  -5.548
  121   1HG1  ILE  13          1HG1      ILE  13  10.756   5.215  -3.593
  122   2HG1  ILE  13          2HG1      ILE  13   9.481   4.063  -3.973
  123   1HG2  ILE  13          1HG2      ILE  13  12.957   5.102  -5.553
  124   2HG2  ILE  13          2HG2      ILE  13  13.028   3.990  -4.182
  125   3HG2  ILE  13          3HG2      ILE  13  13.161   3.369  -5.830
  126   1HD1  ILE  13          1HD1      ILE  13  11.656   2.494  -3.258
  127   2HD1  ILE  13          2HD1      ILE  13  11.663   3.839  -2.114
  128   3HD1  ILE  13          3HD1      ILE  13  10.222   2.838  -2.289
  129    H    THR  14           H        THR  14  10.280   3.578  -8.469
  130    HA   THR  14           HA       THR  14   7.480   2.861  -7.904
  131    HB   THR  14           HB       THR  14   8.485   3.363 -10.705
  132    HG1  THR  14           HG1      THR  14   8.120   5.216  -8.797
  133   1HG2  THR  14          1HG2      THR  14   5.964   2.641  -9.437
  134   2HG2  THR  14          2HG2      THR  14   5.816   4.020 -10.526
  135   3HG2  THR  14          3HG2      THR  14   6.466   2.492 -11.121
  136    H    LEU  15           H        LEU  15   7.667   0.757  -7.400
  137    HA   LEU  15           HA       LEU  15   9.228  -0.957  -9.220
  138   1HB   LEU  15          1HB       LEU  15   9.515  -2.443  -7.186
  139   2HB   LEU  15          2HB       LEU  15  10.431  -0.941  -7.198
  140    HG   LEU  15           HG       LEU  15   7.778  -1.054  -5.821
  141   1HD1  LEU  15          1HD1      LEU  15   9.293  -3.016  -5.154
  142   2HD1  LEU  15          2HD1      LEU  15  10.312  -1.783  -4.408
  143   3HD1  LEU  15          3HD1      LEU  15   8.641  -1.987  -3.879
  144   1HD2  LEU  15          1HD2      LEU  15   9.306   1.015  -6.224
  145   2HD2  LEU  15          2HD2      LEU  15   8.551   0.770  -4.649
  146   3HD2  LEU  15          3HD2      LEU  15  10.244   0.340  -4.893
  147    H    GLU  16           H        GLU  16   8.176  -2.555 -10.180
  148    HA   GLU  16           HA       GLU  16   5.390  -2.978  -9.734
  149   1HB   GLU  16          1HB       GLU  16   5.601  -4.696 -11.475
  150   2HB   GLU  16          2HB       GLU  16   6.371  -3.190 -11.962
  151   1HG   GLU  16          1HG       GLU  16   8.552  -4.113 -11.375
  152   2HG   GLU  16          2HG       GLU  16   7.782  -5.618 -10.877
  153    H    VAL  17           H        VAL  17   4.354  -4.636  -8.709
  154    HA   VAL  17           HA       VAL  17   5.853  -6.905  -7.684
  155    HB   VAL  17           HB       VAL  17   4.961  -6.601  -5.372
  156   1HG1  VAL  17          1HG1      VAL  17   3.505  -4.536  -6.554
  157   2HG1  VAL  17          2HG1      VAL  17   3.569  -4.960  -4.843
  158   3HG1  VAL  17          3HG1      VAL  17   4.672  -3.748  -5.494
  159   1HG2  VAL  17          1HG2      VAL  17   7.286  -5.888  -6.218
  160   2HG2  VAL  17          2HG2      VAL  17   6.673  -4.245  -6.043
  161   3HG2  VAL  17          3HG2      VAL  17   6.743  -5.313  -4.641
  162    H    GLU  18           H        GLU  18   4.632  -8.708  -7.581
  163    HA   GLU  18           HA       GLU  18   2.086  -8.735  -8.778
  164   1HB   GLU  18          1HB       GLU  18   3.323 -10.896  -7.070
  165   2HB   GLU  18          2HB       GLU  18   2.048 -11.100  -8.263
  166   1HG   GLU  18          1HG       GLU  18   3.591 -10.470 -10.037
  167   2HG   GLU  18          2HG       GLU  18   4.871 -10.232  -8.847
  168    HA   PRO  19           HA       PRO  19  -0.640  -7.658  -5.459
  169   1HB   PRO  19          1HB       PRO  19  -2.791  -9.199  -6.269
  170   2HB   PRO  19          2HB       PRO  19  -2.421  -7.587  -6.877
  171   1HG   PRO  19          1HG       PRO  19  -1.824 -10.247  -8.083
  172   2HG   PRO  19          2HG       PRO  19  -2.348  -8.751  -8.873
  173   1HD   PRO  19          1HD       PRO  19   0.206  -9.556  -8.964
  174   2HD   PRO  19          2HD       PRO  19  -0.216  -7.837  -8.836
  175    H    SER  20           H        SER  20  -0.307 -11.020  -6.443
  176    HA   SER  20           HA       SER  20  -1.421 -12.199  -4.149
  177   1HB   SER  20          1HB       SER  20  -1.108 -13.411  -6.250
  178   2HB   SER  20          2HB       SER  20   0.640 -13.293  -6.071
  179    HG   SER  20           HG       SER  20   0.607 -14.857  -4.647
  180    H    ASP  21           H        ASP  21   1.810 -11.050  -4.893
  181    HA   ASP  21           HA       ASP  21   3.217 -12.277  -2.817
  182   1HB   ASP  21          1HB       ASP  21   3.630  -9.687  -4.297
  183   2HB   ASP  21          2HB       ASP  21   4.718 -10.192  -3.010
  184    H    THR  22           H        THR  22   3.399 -11.925  -0.696
  185    HA   THR  22           HA       THR  22   1.456 -10.517   0.725
  186    HB   THR  22           HB       THR  22   2.884 -10.854   2.715
  187    HG1  THR  22           HG1      THR  22   4.877 -12.125   2.230
  188   1HG2  THR  22          1HG2      THR  22   1.448 -12.673   1.692
  189   2HG2  THR  22          2HG2      THR  22   2.934 -13.327   1.002
  190   3HG2  THR  22          3HG2      THR  22   2.749 -13.215   2.753
  191    H    ILE  23           H        ILE  23   1.531  -8.615   1.956
  192    HA   ILE  23           HA       ILE  23   2.642  -6.371   0.758
  193    HB   ILE  23           HB       ILE  23   1.909  -6.690   3.677
  194   1HG1  ILE  23          1HG1      ILE  23   0.270  -5.709   1.326
  195   2HG1  ILE  23          2HG1      ILE  23   0.054  -7.245   2.158
  196   1HG2  ILE  23          1HG2      ILE  23   3.318  -4.648   2.668
  197   2HG2  ILE  23          2HG2      ILE  23   1.689  -4.080   2.309
  198   3HG2  ILE  23          3HG2      ILE  23   2.145  -4.458   3.970
  199   1HD1  ILE  23          1HD1      ILE  23  -0.112  -4.717   3.720
  200   2HD1  ILE  23          2HD1      ILE  23  -1.472  -5.209   2.709
  201   3HD1  ILE  23          3HD1      ILE  23  -0.901  -6.270   3.996
  202    H    GLU  24           H        GLU  24   3.877  -8.448   3.305
  203    HA   GLU  24           HA       GLU  24   6.089  -6.944   4.099
  204   1HB   GLU  24          1HB       GLU  24   5.352  -8.828   5.395
  205   2HB   GLU  24          2HB       GLU  24   5.593  -9.921   4.042
  206   1HG   GLU  24          1HG       GLU  24   7.342 -10.178   5.677
  207   2HG   GLU  24          2HG       GLU  24   7.989  -9.556   4.164
  208    H    ASN  25           H        ASN  25   5.687  -9.323   1.511
  209    HA   ASN  25           HA       ASN  25   8.381  -9.409   0.683
  210   1HB   ASN  25          1HB       ASN  25   6.707 -11.096   0.021
  211   2HB   ASN  25          2HB       ASN  25   5.871  -9.886  -0.943
  212   1HD2  ASN  25          2HD2      ASN  25   7.906 -12.408  -1.122
  213   2HD2  ASN  25          1HD2      ASN  25   8.745 -12.021  -2.582
  214    H    VAL  26           H        VAL  26   5.624  -7.457  -0.374
  215    HA   VAL  26           HA       VAL  26   6.835  -6.088  -2.478
  216    HB   VAL  26           HB       VAL  26   4.610  -5.332  -0.602
  217   1HG1  VAL  26          1HG1      VAL  26   4.805  -6.897  -2.952
  218   2HG1  VAL  26          2HG1      VAL  26   3.368  -6.506  -2.008
  219   3HG1  VAL  26          3HG1      VAL  26   3.861  -5.457  -3.338
  220   1HG2  VAL  26          1HG2      VAL  26   6.124  -3.532  -2.210
  221   2HG2  VAL  26          2HG2      VAL  26   4.497  -3.675  -2.873
  222   3HG2  VAL  26          3HG2      VAL  26   4.724  -3.206  -1.190
  223    H    LYS  27           H        LYS  27   6.604  -5.180   0.957
  224    HA   LYS  27           HA       LYS  27   8.051  -2.766   0.697
  225   1HB   LYS  27          1HB       LYS  27   7.674  -4.507   3.142
  226   2HB   LYS  27          2HB       LYS  27   8.233  -2.840   3.149
  227   1HG   LYS  27          1HG       LYS  27   6.062  -2.183   2.114
  228   2HG   LYS  27          2HG       LYS  27   5.517  -3.845   2.332
  229   1HD   LYS  27          1HD       LYS  27   6.414  -1.989   4.535
  230   2HD   LYS  27          2HD       LYS  27   4.740  -2.382   4.143
  231   1HE   LYS  27          1HE       LYS  27   6.839  -4.360   5.023
  232   2HE   LYS  27          2HE       LYS  27   5.584  -3.677   6.056
  233   1HZ   LYS  27          1HZ       LYS  27   4.849  -5.083   3.576
  234   2HZ   LYS  27          2HZ       LYS  27   5.211  -5.966   4.972
  235   3HZ   LYS  27          3HZ       LYS  27   3.938  -4.853   4.984
  236    H    ALA  28           H        ALA  28   9.005  -6.084   1.322
  237    HA   ALA  28           HA       ALA  28  11.614  -5.718   2.193
  238   1HB   ALA  28          1HB       ALA  28  12.032  -7.982   1.157
  239   2HB   ALA  28          2HB       ALA  28  10.374  -7.918   0.560
  240   3HB   ALA  28          3HB       ALA  28  10.689  -7.892   2.296
  241    H    LYS  29           H        LYS  29  10.314  -5.711  -1.084
  242    HA   LYS  29           HA       LYS  29  12.808  -5.645  -2.424
  243   1HB   LYS  29          1HB       LYS  29  10.698  -6.293  -3.529
  244   2HB   LYS  29          2HB       LYS  29  10.097  -4.654  -3.339
  245   1HG   LYS  29          1HG       LYS  29  11.859  -3.822  -4.795
  246   2HG   LYS  29          2HG       LYS  29  12.495  -5.460  -4.971
  247   1HD   LYS  29          1HD       LYS  29  10.365  -6.166  -5.970
  248   2HD   LYS  29          2HD       LYS  29   9.759  -4.517  -5.823
  249   1HE   LYS  29          1HE       LYS  29  11.542  -3.728  -7.299
  250   2HE   LYS  29          2HE       LYS  29  12.149  -5.378  -7.446
  251   1HZ   LYS  29          1HZ       LYS  29   9.534  -5.610  -8.122
  252   2HZ   LYS  29          2HZ       LYS  29   9.953  -4.114  -8.791
  253   3HZ   LYS  29          3HZ       LYS  29  10.822  -5.502  -9.213
  254    H    ILE  30           H        ILE  30  10.617  -3.176  -1.195
  255    HA   ILE  30           HA       ILE  30  11.836  -0.929  -2.324
  256    HB   ILE  30           HB       ILE  30  10.496  -1.095   0.381
  257   1HG1  ILE  30          1HG1      ILE  30   9.344  -0.451  -2.346
  258   2HG1  ILE  30          2HG1      ILE  30   9.063  -1.935  -1.444
  259   1HG2  ILE  30          1HG2      ILE  30  11.303   1.189  -1.391
  260   2HG2  ILE  30          2HG2      ILE  30   9.981   1.352  -0.235
  261   3HG2  ILE  30          3HG2      ILE  30  11.603   0.959   0.333
  262   1HD1  ILE  30          1HD1      ILE  30   8.021  -0.560   0.350
  263   2HD1  ILE  30          2HD1      ILE  30   8.158   0.835  -0.721
  264   3HD1  ILE  30          3HD1      ILE  30   7.160  -0.541  -1.190
  265    H    GLN  31           H        GLN  31  12.664  -2.871   0.487
  266    HA   GLN  31           HA       GLN  31  14.593  -1.118   1.591
  267   1HB   GLN  31          1HB       GLN  31  14.653  -4.138   1.717
  268   2HB   GLN  31          2HB       GLN  31  15.389  -3.005   2.840
  269   1HG   GLN  31          1HG       GLN  31  13.172  -2.257   3.538
  270   2HG   GLN  31          2HG       GLN  31  12.438  -3.412   2.426
  271   1HE2  GLN  31          2HE2      GLN  31  11.711  -5.139   3.413
  272   2HE2  GLN  31          1HE2      GLN  31  12.420  -5.912   4.786
  273    H    ASP  32           H        ASP  32  14.724  -3.769  -0.741
  274    HA   ASP  32           HA       ASP  32  17.493  -3.717  -1.208
  275   1HB   ASP  32          1HB       ASP  32  16.075  -5.560  -1.999
  276   2HB   ASP  32          2HB       ASP  32  15.239  -4.461  -3.092
  277    H    LYS  33           H        LYS  33  14.808  -1.850  -2.307
  278    HA   LYS  33           HA       LYS  33  16.122  -0.436  -4.395
  279   1HB   LYS  33          1HB       LYS  33  13.545  -0.105  -2.898
  280   2HB   LYS  33          2HB       LYS  33  14.104   1.165  -3.980
  281   1HG   LYS  33          1HG       LYS  33  13.565  -1.699  -4.739
  282   2HG   LYS  33          2HG       LYS  33  12.522  -0.317  -5.079
  283   1HD   LYS  33          1HD       LYS  33  14.494   0.686  -6.320
  284   2HD   LYS  33          2HD       LYS  33  15.257  -0.900  -6.190
  285   1HE   LYS  33          1HE       LYS  33  12.651  -0.244  -7.548
  286   2HE   LYS  33          2HE       LYS  33  14.160  -0.717  -8.326
  287   1HZ   LYS  33          1HZ       LYS  33  13.600  -2.715  -6.520
  288   2HZ   LYS  33          2HZ       LYS  33  12.114  -2.353  -7.242
  289   3HZ   LYS  33          3HZ       LYS  33  13.435  -2.791  -8.202
  290    H    GLU  34           H        GLU  34  15.792   0.005  -0.945
  291    HA   GLU  34           HA       GLU  34  17.636   2.273  -1.109
  292   1HB   GLU  34          1HB       GLU  34  15.398   3.251  -0.936
  293   2HB   GLU  34          2HB       GLU  34  15.074   2.286   0.495
  294   1HG   GLU  34          1HG       GLU  34  15.613   4.563   1.100
  295   2HG   GLU  34          2HG       GLU  34  16.850   3.455   1.692
  296    H    GLY  35           H        GLY  35  15.784   0.564   1.442
  297   1HA   GLY  35          1HA       GLY  35  18.216   0.436   3.051
  298   2HA   GLY  35          2HA       GLY  35  17.535  -1.101   2.547
  299    H    ILE  36           H        ILE  36  15.614   1.703   3.340
  300    HA   ILE  36           HA       ILE  36  15.161   1.426   6.013
  301    HB   ILE  36           HB       ILE  36  12.639   2.052   5.108
  302   1HG1  ILE  36          1HG1      ILE  36  13.050   3.675   3.253
  303   2HG1  ILE  36          2HG1      ILE  36  14.678   3.030   3.097
  304   1HG2  ILE  36          1HG2      ILE  36  15.054   3.639   5.838
  305   2HG2  ILE  36          2HG2      ILE  36  13.575   4.458   5.333
  306   3HG2  ILE  36          3HG2      ILE  36  13.555   3.385   6.735
  307   1HD1  ILE  36          1HD1      ILE  36  12.868   0.855   2.986
  308   2HD1  ILE  36          2HD1      ILE  36  12.291   2.115   1.895
  309   3HD1  ILE  36          3HD1      ILE  36  13.928   1.479   1.720
  310    HA   PRO  37           HA       PRO  37  13.446  -2.610   6.751
  311   1HB   PRO  37          1HB       PRO  37  12.093  -0.991   8.878
  312   2HB   PRO  37          2HB       PRO  37  12.891  -2.562   9.008
  313   1HG   PRO  37          1HG       PRO  37  14.130  -0.378   9.842
  314   2HG   PRO  37          2HG       PRO  37  15.025  -1.617   8.945
  315   1HD   PRO  37          1HD       PRO  37  14.051   1.050   8.037
  316   2HD   PRO  37          2HD       PRO  37  15.515   0.164   7.571
  317    HA   PRO  38           HA       PRO  38   9.452  -2.662   4.865
  318   1HB   PRO  38          1HB       PRO  38   8.158  -4.521   6.460
  319   2HB   PRO  38          2HB       PRO  38   9.220  -4.912   5.107
  320   1HG   PRO  38          1HG       PRO  38   9.815  -4.863   8.031
  321   2HG   PRO  38          2HG       PRO  38  10.367  -6.003   6.793
  322   1HD   PRO  38          1HD       PRO  38  11.971  -4.071   7.735
  323   2HD   PRO  38          2HD       PRO  38  12.023  -4.569   6.034
  324    H    ASP  39           H        ASP  39   9.492  -2.493   8.402
  325    HA   ASP  39           HA       ASP  39   6.874  -1.585   8.789
  326   1HB   ASP  39          1HB       ASP  39   9.348  -1.016  10.437
  327   2HB   ASP  39          2HB       ASP  39   7.692  -0.755  10.970
  328    H    GLN  40           H        GLN  40   9.817   0.094   7.922
  329    HA   GLN  40           HA       GLN  40   9.165   2.717   8.453
  330   1HB   GLN  40          1HB       GLN  40  10.643   1.649   6.043
  331   2HB   GLN  40          2HB       GLN  40  10.686   3.312   6.607
  332   1HG   GLN  40          1HG       GLN  40  11.552   1.016   8.327
  333   2HG   GLN  40          2HG       GLN  40  12.645   1.832   7.211
  334   1HE2  GLN  40          2HE2      GLN  40  13.849   3.304   8.109
  335   2HE2  GLN  40          1HE2      GLN  40  13.429   4.290   9.468
  336    H    GLN  41           H        GLN  41   8.614   0.991   5.387
  337    HA   GLN  41           HA       GLN  41   7.226   3.006   4.066
  338   1HB   GLN  41          1HB       GLN  41   7.100   0.008   3.810
  339   2HB   GLN  41          2HB       GLN  41   6.198   1.077   2.751
  340   1HG   GLN  41          1HG       GLN  41   8.227   0.385   1.675
  341   2HG   GLN  41          2HG       GLN  41   8.299   2.108   2.020
  342   1HE2  GLN  41          2HE2      GLN  41   9.920  -0.785   2.210
  343   2HE2  GLN  41          1HE2      GLN  41  11.153  -0.333   3.332
  344    H    ARG  42           H        ARG  42   5.255   3.842   4.245
  345    HA   ARG  42           HA       ARG  42   3.410   2.651   6.142
  346   1HB   ARG  42          1HB       ARG  42   3.568   5.390   4.911
  347   2HB   ARG  42          2HB       ARG  42   2.192   4.864   5.869
  348   1HG   ARG  42          1HG       ARG  42   5.032   4.928   6.856
  349   2HG   ARG  42          2HG       ARG  42   3.837   6.195   7.141
  350   1HD   ARG  42          1HD       ARG  42   2.404   4.572   8.288
  351   2HD   ARG  42          2HD       ARG  42   3.615   3.319   8.019
  352    HE   ARG  42           HE       ARG  42   4.840   5.453   9.348
  353   1HH1  ARG  42          1HH1      ARG  42   2.424   3.007   9.923
  354   2HH1  ARG  42          2HH1      ARG  42   2.720   2.934  11.629
  355   1HH2  ARG  42          1HH2      ARG  42   5.236   5.362  11.591
  356   2HH2  ARG  42          2HH2      ARG  42   4.318   4.272  12.576
  357    H    LEU  43           H        LEU  43   1.638   1.594   5.530
  358    HA   LEU  43           HA       LEU  43   1.037   1.212   2.776
  359   1HB   LEU  43          1HB       LEU  43  -0.336   0.421   5.328
  360   2HB   LEU  43          2HB       LEU  43  -1.090   0.131   3.773
  361    HG   LEU  43           HG       LEU  43   0.817  -1.257   3.100
  362   1HD1  LEU  43          1HD1      LEU  43   2.528  -0.122   4.466
  363   2HD1  LEU  43          2HD1      LEU  43   1.823  -0.847   5.911
  364   3HD1  LEU  43          3HD1      LEU  43   2.544  -1.875   4.672
  365   1HD2  LEU  43          1HD2      LEU  43  -1.145  -2.245   4.229
  366   2HD2  LEU  43          2HD2      LEU  43   0.342  -3.156   4.488
  367   3HD2  LEU  43          3HD2      LEU  43  -0.288  -2.114   5.765
  368    H    ILE  44           H        ILE  44  -0.103   2.460   1.472
  369    HA   ILE  44           HA       ILE  44  -2.303   4.055   2.542
  370    HB   ILE  44           HB       ILE  44  -0.102   5.249   0.855
  371   1HG1  ILE  44          1HG1      ILE  44  -0.891   5.772   3.733
  372   2HG1  ILE  44          2HG1      ILE  44   0.550   4.910   3.208
  373   1HG2  ILE  44          1HG2      ILE  44  -2.720   5.950   0.813
  374   2HG2  ILE  44          2HG2      ILE  44  -2.115   6.985   2.108
  375   3HG2  ILE  44          3HG2      ILE  44  -1.387   7.063   0.504
  376   1HD1  ILE  44          1HD1      ILE  44   1.114   7.079   1.948
  377   2HD1  ILE  44          2HD1      ILE  44  -0.076   7.817   3.021
  378   3HD1  ILE  44          3HD1      ILE  44   1.342   7.014   3.696
  379    H    PHE  45           H        PHE  45  -4.029   4.025   1.246
  380    HA   PHE  45           HA       PHE  45  -3.656   3.332  -1.586
  381   1HB   PHE  45          1HB       PHE  45  -5.727   2.188   0.299
  382   2HB   PHE  45          2HB       PHE  45  -5.758   1.979  -1.448
  383    HD1  PHE  45           HD1      PHE  45  -3.384   1.507   1.400
  384    HD2  PHE  45           HD2      PHE  45  -4.913   0.030  -2.286
  385    HE1  PHE  45           HE1      PHE  45  -1.958  -0.486   1.613
  386    HE2  PHE  45           HE2      PHE  45  -3.490  -1.966  -2.081
  387    HZ   PHE  45           HZ       PHE  45  -2.010  -2.226  -0.129
  388    H    ALA  46           H        ALA  46  -5.084   4.282  -3.045
  389    HA   ALA  46           HA       ALA  46  -7.178   6.027  -1.992
  390   1HB   ALA  46          1HB       ALA  46  -5.872   7.833  -2.111
  391   2HB   ALA  46          2HB       ALA  46  -4.630   6.980  -3.028
  392   3HB   ALA  46          3HB       ALA  46  -6.019   7.678  -3.861
  393    H    GLY  47           H        GLY  47  -8.945   5.910  -3.209
  394   1HA   GLY  47          1HA       GLY  47 -10.346   5.243  -4.903
  395   2HA   GLY  47          2HA       GLY  47  -9.018   4.295  -5.543
  396    H    LYS  48           H        LYS  48 -11.099   6.101  -6.758
  397    HA   LYS  48           HA       LYS  48  -9.438   7.227  -8.788
  398   1HB   LYS  48          1HB       LYS  48 -11.682   6.274  -9.228
  399   2HB   LYS  48          2HB       LYS  48 -12.399   7.592  -8.315
  400   1HG   LYS  48          1HG       LYS  48 -12.581   8.019 -10.682
  401   2HG   LYS  48          2HG       LYS  48 -11.496   9.194  -9.940
  402   1HD   LYS  48          1HD       LYS  48  -9.567   7.908 -10.719
  403   2HD   LYS  48          2HD       LYS  48 -10.650   6.724 -11.453
  404   1HE   LYS  48          1HE       LYS  48 -11.551   8.462 -12.920
  405   2HE   LYS  48          2HE       LYS  48 -10.467   9.642 -12.190
  406   1HZ   LYS  48          1HZ       LYS  48  -8.904   7.498 -13.010
  407   2HZ   LYS  48          2HZ       LYS  48  -9.950   7.845 -14.295
  408   3HZ   LYS  48          3HZ       LYS  48  -8.948   9.055 -13.669
  409    H    GLN  49           H        GLN  49  -8.160   8.594  -7.348
  410    HA   GLN  49           HA       GLN  49  -9.293  10.863  -6.093
  411   1HB   GLN  49          1HB       GLN  49  -6.486  10.421  -7.134
  412   2HB   GLN  49          2HB       GLN  49  -6.973  11.738  -6.080
  413   1HG   GLN  49          1HG       GLN  49  -7.572  10.125  -4.344
  414   2HG   GLN  49          2HG       GLN  49  -7.072   8.808  -5.403
  415   1HE2  GLN  49          2HE2      GLN  49  -6.133  10.615  -2.868
  416   2HE2  GLN  49          1HE2      GLN  49  -4.416  10.505  -3.034
  417    H    LEU  50           H        LEU  50 -10.560  12.111  -7.315
  418    HA   LEU  50           HA       LEU  50 -10.562  12.619  -9.981
  419   1HB   LEU  50          1HB       LEU  50 -11.315  14.326  -7.641
  420   2HB   LEU  50          2HB       LEU  50 -11.455  14.960  -9.267
  421    HG   LEU  50           HG       LEU  50 -13.208  13.545  -9.819
  422   1HD1  LEU  50          1HD1      LEU  50 -12.422  11.751  -7.528
  423   2HD1  LEU  50          2HD1      LEU  50 -13.788  11.498  -8.613
  424   3HD1  LEU  50          3HD1      LEU  50 -12.140  11.436  -9.240
  425   1HD2  LEU  50          1HD2      LEU  50 -13.477  13.976  -6.849
  426   2HD2  LEU  50          2HD2      LEU  50 -13.908  15.129  -8.112
  427   3HD2  LEU  50          3HD2      LEU  50 -14.799  13.613  -7.960
  428    H    GLU  51           H        GLU  51  -8.323  12.615 -10.613
  429    HA   GLU  51           HA       GLU  51  -6.471  14.595  -9.859
  430   1HB   GLU  51          1HB       GLU  51  -6.649  13.036 -12.444
  431   2HB   GLU  51          2HB       GLU  51  -5.248  13.954 -11.910
  432   1HG   GLU  51          1HG       GLU  51  -6.429  11.589 -10.470
  433   2HG   GLU  51          2HG       GLU  51  -5.011  11.548 -11.516
  434    H1   GLY  -1           H1       GLY  -1  -4.599  -4.213  16.132
  435    H2   GLY  -1           H2       GLY  -1  -6.039  -3.882  15.310
  436    H3   GLY  -1           H3       GLY  -1  -6.082  -4.641  16.823
  437   1HA   GLY  -1          1HA       GLY  -1  -6.264  -5.958  14.522
  438   2HA   GLY  -1          2HA       GLY  -1  -5.640  -6.664  16.004
  439    H    SER   0           H        SER   0  -5.055  -6.846  12.956
  440    HA   SER   0           HA       SER   0  -2.354  -7.583  13.199
  441   1HB   SER   0          1HB       SER   0  -2.399  -7.801  10.736
  442   2HB   SER   0          2HB       SER   0  -3.817  -8.537  11.483
  443    HG   SER   0           HG       SER   0  -4.604  -6.153  11.051
  444    H    MET   1           H        MET   1  -3.748  -4.873  11.352
  445    HA   MET   1           HA       MET   1  -2.023  -2.899  12.264
  446   1HB   MET   1          1HB       MET   1  -0.501  -2.652  10.304
  447   2HB   MET   1          2HB       MET   1  -0.187  -4.086  11.268
  448   1HG   MET   1          1HG       MET   1  -1.294  -5.477   9.644
  449   2HG   MET   1          2HG       MET   1  -1.768  -4.063   8.708
  450   1HE   MET   1          1HE       MET   1  -0.180  -2.333   8.064
  451   2HE   MET   1          2HE       MET   1   1.490  -2.402   8.624
  452   3HE   MET   1          3HE       MET   1   1.106  -2.794   6.948
  453    H    GLN   2           H        GLN   2  -3.430  -1.292  12.011
  454    HA   GLN   2           HA       GLN   2  -5.334  -1.173   9.917
  455   1HB   GLN   2          1HB       GLN   2  -5.912   1.011  10.844
  456   2HB   GLN   2          2HB       GLN   2  -5.738  -0.182  12.120
  457   1HG   GLN   2          1HG       GLN   2  -3.477   0.677  12.577
  458   2HG   GLN   2          2HG       GLN   2  -3.727   1.917  11.349
  459   1HE2  GLN   2          2HE2      GLN   2  -4.215   3.807  12.166
  460   2HE2  GLN   2          1HE2      GLN   2  -5.142   4.098  13.595
  461    H    ILE   3           H        ILE   3  -5.163  -0.380   7.934
  462    HA   ILE   3           HA       ILE   3  -2.702   1.018   7.183
  463    HB   ILE   3           HB       ILE   3  -3.239   0.447   4.886
  464   1HG1  ILE   3          1HG1      ILE   3  -5.741  -0.809   6.038
  465   2HG1  ILE   3          2HG1      ILE   3  -5.681   0.621   5.015
  466   1HG2  ILE   3          1HG2      ILE   3  -3.481  -1.857   6.813
  467   2HG2  ILE   3          2HG2      ILE   3  -3.165  -2.033   5.087
  468   3HG2  ILE   3          3HG2      ILE   3  -2.003  -1.196   6.115
  469   1HD1  ILE   3          1HD1      ILE   3  -4.347  -1.598   3.757
  470   2HD1  ILE   3          2HD1      ILE   3  -6.003  -2.012   4.205
  471   3HD1  ILE   3          3HD1      ILE   3  -5.692  -0.612   3.179
  472    H    PHE   4           H        PHE   4  -2.729   2.918   5.928
  473    HA   PHE   4           HA       PHE   4  -5.046   4.609   6.436
  474   1HB   PHE   4          1HB       PHE   4  -2.325   5.250   5.278
  475   2HB   PHE   4          2HB       PHE   4  -3.588   6.437   5.572
  476    HD1  PHE   4           HD1      PHE   4  -3.337   7.705   7.446
  477    HD2  PHE   4           HD2      PHE   4  -1.885   3.705   7.478
  478    HE1  PHE   4           HE1      PHE   4  -2.509   8.028   9.740
  479    HE2  PHE   4           HE2      PHE   4  -1.056   4.020   9.772
  480    HZ   PHE   4           HZ       PHE   4  -1.368   6.184  10.907
  481    H    VAL   5           H        VAL   5  -6.517   5.160   4.941
  482    HA   VAL   5           HA       VAL   5  -5.866   5.020   2.105
  483    HB   VAL   5           HB       VAL   5  -8.147   3.416   3.279
  484   1HG1  VAL   5          1HG1      VAL   5  -5.433   2.692   2.320
  485   2HG1  VAL   5          2HG1      VAL   5  -6.402   1.991   3.616
  486   3HG1  VAL   5          3HG1      VAL   5  -6.762   1.599   1.934
  487   1HG2  VAL   5          1HG2      VAL   5  -8.725   4.464   1.141
  488   2HG2  VAL   5          2HG2      VAL   5  -7.295   3.739   0.405
  489   3HG2  VAL   5          3HG2      VAL   5  -8.600   2.710   0.996
  490    H    LYS   6           H        LYS   6  -6.983   6.480   0.904
  491    HA   LYS   6           HA       LYS   6  -8.980   8.106   2.322
  492   1HB   LYS   6          1HB       LYS   6  -7.014   9.330   1.509
  493   2HB   LYS   6          2HB       LYS   6  -7.329   8.765  -0.125
  494   1HG   LYS   6          1HG       LYS   6  -9.432   9.989  -0.161
  495   2HG   LYS   6          2HG       LYS   6  -9.150  10.535   1.493
  496   1HD   LYS   6          1HD       LYS   6  -7.376  11.145  -0.871
  497   2HD   LYS   6          2HD       LYS   6  -8.563  12.249  -0.177
  498   1HE   LYS   6          1HE       LYS   6  -6.161  11.109   1.247
  499   2HE   LYS   6          2HE       LYS   6  -6.309  12.750   0.623
  500   1HZ   LYS   6          1HZ       LYS   6  -8.515  12.308   2.243
  501   2HZ   LYS   6          2HZ       LYS   6  -7.179  11.721   3.099
  502   3HZ   LYS   6          3HZ       LYS   6  -7.194  13.320   2.553
  503    H    THR   7           H        THR   7 -11.049   8.132   1.654
  504    HA   THR   7           HA       THR   7 -11.913   6.291  -0.334
  505    HB   THR   7           HB       THR   7 -14.178   7.201   0.072
  506    HG1  THR   7           HG1      THR   7 -14.118   9.257   0.638
  507   1HG2  THR   7          1HG2      THR   7 -12.401   6.348   2.311
  508   2HG2  THR   7          2HG2      THR   7 -14.057   6.834   2.674
  509   3HG2  THR   7          3HG2      THR   7 -13.753   5.500   1.561
  510    H    LEU   8           H        LEU   8 -14.073   7.793  -1.458
  511    HA   LEU   8           HA       LEU   8 -12.683   8.950  -3.705
  512   1HB   LEU   8          1HB       LEU   8 -15.596   8.462  -3.111
  513   2HB   LEU   8          2HB       LEU   8 -15.047   9.250  -4.574
  514    HG   LEU   8           HG       LEU   8 -13.924   7.248  -5.310
  515   1HD1  LEU   8          1HD1      LEU   8 -16.514   7.561  -5.403
  516   2HD1  LEU   8          2HD1      LEU   8 -15.781   6.031  -5.888
  517   3HD1  LEU   8          3HD1      LEU   8 -16.515   6.192  -4.293
  518   1HD2  LEU   8          1HD2      LEU   8 -14.149   6.498  -2.521
  519   2HD2  LEU   8          2HD2      LEU   8 -14.679   5.219  -3.612
  520   3HD2  LEU   8          3HD2      LEU   8 -13.061   5.901  -3.773
  521    H    THR   9           H        THR   9 -15.264  10.093  -1.524
  522    HA   THR   9           HA       THR   9 -15.099  12.784  -2.425
  523    HB   THR   9           HB       THR   9 -16.577  13.316  -0.531
  524    HG1  THR   9           HG1      THR   9 -16.419  10.560   0.158
  525   1HG2  THR   9          1HG2      THR   9 -17.215  10.913  -2.220
  526   2HG2  THR   9          2HG2      THR   9 -18.399  11.607  -1.112
  527   3HG2  THR   9          3HG2      THR   9 -17.747  12.582  -2.430
  528    H    GLY  10           H        GLY  10 -13.905  11.134   0.499
  529   1HA   GLY  10          1HA       GLY  10 -12.731  13.547   1.539
  530   2HA   GLY  10          2HA       GLY  10 -11.553  12.483   0.793
  531    H    LYS  11           H        LYS  11 -14.368  11.239   2.434
  532    HA   LYS  11           HA       LYS  11 -13.627  11.012   5.031
  533   1HB   LYS  11          1HB       LYS  11 -15.752  10.168   4.164
  534   2HB   LYS  11          2HB       LYS  11 -14.916   8.849   3.359
  535   1HG   LYS  11          1HG       LYS  11 -14.200   7.989   5.547
  536   2HG   LYS  11          2HG       LYS  11 -15.095   9.291   6.333
  537   1HD   LYS  11          1HD       LYS  11 -17.172   8.460   5.329
  538   2HD   LYS  11          2HD       LYS  11 -16.273   7.149   4.565
  539   1HE   LYS  11          1HE       LYS  11 -15.621   6.312   6.768
  540   2HE   LYS  11          2HE       LYS  11 -16.520   7.620   7.533
  541   1HZ   LYS  11          1HZ       LYS  11 -18.548   6.742   6.508
  542   2HZ   LYS  11          2HZ       LYS  11 -17.666   5.455   5.854
  543   3HZ   LYS  11          3HZ       LYS  11 -17.818   5.609   7.532
  544    H    THR  12           H        THR  12 -12.053  10.094   6.161
  545    HA   THR  12           HA       THR  12 -10.056   8.505   4.779
  546    HB   THR  12           HB       THR  12 -10.099   9.462   7.644
  547    HG1  THR  12           HG1      THR  12  -8.704  11.098   6.845
  548   1HG2  THR  12          1HG2      THR  12  -8.068   8.040   5.970
  549   2HG2  THR  12          2HG2      THR  12  -7.540   9.148   7.238
  550   3HG2  THR  12          3HG2      THR  12  -8.538   7.751   7.645
  551    H    ILE  13           H        ILE  13  -9.638   6.382   5.107
  552    HA   ILE  13           HA       ILE  13 -11.282   4.977   7.102
  553    HB   ILE  13           HB       ILE  13 -11.044   2.973   5.488
  554   1HG1  ILE  13          1HG1      ILE  13 -10.710   5.269   3.550
  555   2HG1  ILE  13          2HG1      ILE  13  -9.488   4.063   3.931
  556   1HG2  ILE  13          1HG2      ILE  13 -12.942   5.229   5.430
  557   2HG2  ILE  13          2HG2      ILE  13 -13.044   4.060   4.110
  558   3HG2  ILE  13          3HG2      ILE  13 -13.204   3.519   5.783
  559   1HD1  ILE  13          1HD1      ILE  13 -11.726   2.600   3.170
  560   2HD1  ILE  13          2HD1      ILE  13 -11.641   3.951   2.038
  561   3HD1  ILE  13          3HD1      ILE  13 -10.257   2.876   2.235
  562    H    THR  14           H        THR  14 -10.236   3.778   8.493
  563    HA   THR  14           HA       THR  14  -7.482   2.934   7.878
  564    HB   THR  14           HB       THR  14  -8.447   3.618  10.660
  565    HG1  THR  14           HG1      THR  14  -8.135   5.366   8.771
  566   1HG2  THR  14          1HG2      THR  14  -5.947   2.687   9.440
  567   2HG2  THR  14          2HG2      THR  14  -5.757   4.033  10.564
  568   3HG2  THR  14          3HG2      THR  14  -6.524   2.537  11.100
  569    H    LEU  15           H        LEU  15  -7.595   0.790   7.578
  570    HA   LEU  15           HA       LEU  15  -9.097  -0.777   9.550
  571   1HB   LEU  15          1HB       LEU  15 -10.134  -2.115   7.886
  572   2HB   LEU  15          2HB       LEU  15 -10.429  -0.440   7.468
  573    HG   LEU  15           HG       LEU  15  -8.415  -2.265   6.149
  574   1HD1  LEU  15          1HD1      LEU  15  -7.689   0.097   6.249
  575   2HD1  LEU  15          2HD1      LEU  15  -7.998  -0.477   4.612
  576   3HD1  LEU  15          3HD1      LEU  15  -9.179   0.553   5.422
  577   1HD2  LEU  15          1HD2      LEU  15 -10.750  -2.757   5.605
  578   2HD2  LEU  15          2HD2      LEU  15 -10.990  -1.073   5.142
  579   3HD2  LEU  15          3HD2      LEU  15  -9.881  -2.090   4.222
  580    H    GLU  16           H        GLU  16  -8.085  -2.468  10.319
  581    HA   GLU  16           HA       GLU  16  -5.369  -2.975   9.705
  582   1HB   GLU  16          1HB       GLU  16  -5.572  -4.752  11.387
  583   2HB   GLU  16          2HB       GLU  16  -6.285  -3.245  11.949
  584   1HG   GLU  16          1HG       GLU  16  -8.511  -4.131  11.232
  585   2HG   GLU  16          2HG       GLU  16  -7.721  -5.677  10.924
  586    H    VAL  17           H        VAL  17  -4.393  -4.673   8.700
  587    HA   VAL  17           HA       VAL  17  -5.932  -6.872   7.616
  588    HB   VAL  17           HB       VAL  17  -5.055  -6.541   5.303
  589   1HG1  VAL  17          1HG1      VAL  17  -7.367  -5.912   5.965
  590   2HG1  VAL  17          2HG1      VAL  17  -6.796  -4.265   6.230
  591   3HG1  VAL  17          3HG1      VAL  17  -6.733  -4.971   4.616
  592   1HG2  VAL  17          1HG2      VAL  17  -3.479  -4.609   6.460
  593   2HG2  VAL  17          2HG2      VAL  17  -3.712  -4.859   4.729
  594   3HG2  VAL  17          3HG2      VAL  17  -4.693  -3.674   5.591
  595    H    GLU  18           H        GLU  18  -4.729  -8.685   7.519
  596    HA   GLU  18           HA       GLU  18  -2.207  -8.770   8.732
  597   1HB   GLU  18          1HB       GLU  18  -3.480 -10.851   6.953
  598   2HB   GLU  18          2HB       GLU  18  -2.168 -11.125   8.087
  599   1HG   GLU  18          1HG       GLU  18  -3.648 -10.518   9.938
  600   2HG   GLU  18          2HG       GLU  18  -4.965 -10.266   8.792
  601    HA   PRO  19           HA       PRO  19   0.615  -7.625   5.512
  602   1HB   PRO  19          1HB       PRO  19   2.742  -9.170   6.363
  603   2HB   PRO  19          2HB       PRO  19   2.344  -7.575   6.997
  604   1HG   PRO  19          1HG       PRO  19   1.716 -10.267   8.117
  605   2HG   PRO  19          2HG       PRO  19   2.216  -8.793   8.960
  606   1HD   PRO  19          1HD       PRO  19  -0.338  -9.596   8.955
  607   2HD   PRO  19          2HD       PRO  19   0.087  -7.875   8.880
  608    H    SER  20           H        SER  20   0.349 -11.009   6.462
  609    HA   SER  20           HA       SER  20   1.490 -12.129   4.151
  610   1HB   SER  20          1HB       SER  20   1.226 -13.377   6.236
  611   2HB   SER  20          2HB       SER  20  -0.527 -13.296   6.080
  612    HG   SER  20           HG       SER  20  -0.477 -14.853   4.652
  613    H    ASP  21           H        ASP  21  -1.720 -10.986   4.898
  614    HA   ASP  21           HA       ASP  21  -3.152 -12.250   2.852
  615   1HB   ASP  21          1HB       ASP  21  -3.584  -9.570   4.185
  616   2HB   ASP  21          2HB       ASP  21  -4.738 -10.318   3.087
  617    H    THR  22           H        THR  22  -3.330 -11.913   0.723
  618    HA   THR  22           HA       THR  22  -1.409 -10.501  -0.711
  619    HB   THR  22           HB       THR  22  -2.855 -10.829  -2.690
  620    HG1  THR  22           HG1      THR  22  -4.844 -12.099  -2.194
  621   1HG2  THR  22          1HG2      THR  22  -1.410 -12.651  -1.677
  622   2HG2  THR  22          2HG2      THR  22  -2.892 -13.310  -0.987
  623   3HG2  THR  22          3HG2      THR  22  -2.713 -13.189  -2.738
  624    H    ILE  23           H        ILE  23  -1.483  -8.603  -1.944
  625    HA   ILE  23           HA       ILE  23  -2.589  -6.352  -0.740
  626    HB   ILE  23           HB       ILE  23  -1.840  -6.673  -3.654
  627   1HG1  ILE  23          1HG1      ILE  23  -0.212  -5.689  -1.298
  628   2HG1  ILE  23          2HG1      ILE  23   0.005  -7.230  -2.122
  629   1HG2  ILE  23          1HG2      ILE  23  -3.252  -4.628  -2.652
  630   2HG2  ILE  23          2HG2      ILE  23  -1.622  -4.062  -2.289
  631   3HG2  ILE  23          3HG2      ILE  23  -2.073  -4.441  -3.951
  632   1HD1  ILE  23          1HD1      ILE  23   0.186  -4.707  -3.692
  633   2HD1  ILE  23          2HD1      ILE  23   1.541  -5.203  -2.674
  634   3HD1  ILE  23          3HD1      ILE  23   0.970  -6.265  -3.961
  635    H    GLU  24           H        GLU  24  -3.809  -8.431  -3.286
  636    HA   GLU  24           HA       GLU  24  -6.019  -6.924  -4.089
  637   1HB   GLU  24          1HB       GLU  24  -5.300  -8.776  -5.415
  638   2HB   GLU  24          2HB       GLU  24  -5.464  -9.889  -4.066
  639   1HG   GLU  24          1HG       GLU  24  -7.257 -10.241  -5.592
  640   2HG   GLU  24          2HG       GLU  24  -7.892  -9.536  -4.110
  641    H    ASN  25           H        ASN  25  -5.546  -9.193  -1.445
  642    HA   ASN  25           HA       ASN  25  -8.250  -9.411  -0.666
  643   1HB   ASN  25          1HB       ASN  25  -6.522 -11.022   0.020
  644   2HB   ASN  25          2HB       ASN  25  -5.751  -9.780   0.998
  645   1HD2  ASN  25          2HD2      ASN  25  -7.721 -12.372   1.120
  646   2HD2  ASN  25          1HD2      ASN  25  -8.586 -12.024   2.575
  647    H    VAL  26           H        VAL  26  -5.605  -7.341   0.577
  648    HA   VAL  26           HA       VAL  26  -7.127  -6.104   2.581
  649    HB   VAL  26           HB       VAL  26  -5.454  -4.419   2.738
  650   1HG1  VAL  26          1HG1      VAL  26  -4.910  -7.072   2.946
  651   2HG1  VAL  26          2HG1      VAL  26  -3.614  -6.525   1.883
  652   3HG1  VAL  26          3HG1      VAL  26  -3.832  -5.775   3.464
  653   1HG2  VAL  26          1HG2      VAL  26  -5.373  -3.897   0.303
  654   2HG2  VAL  26          2HG2      VAL  26  -3.803  -3.933   1.104
  655   3HG2  VAL  26          3HG2      VAL  26  -4.310  -5.289   0.100
  656    H    LYS  27           H        LYS  27  -6.629  -5.210  -0.816
  657    HA   LYS  27           HA       LYS  27  -8.050  -2.766  -0.688
  658   1HB   LYS  27          1HB       LYS  27  -7.594  -4.589  -3.059
  659   2HB   LYS  27          2HB       LYS  27  -8.176  -2.933  -3.150
  660   1HG   LYS  27          1HG       LYS  27  -6.030  -2.236  -2.034
  661   2HG   LYS  27          2HG       LYS  27  -5.464  -3.888  -2.279
  662   1HD   LYS  27          1HD       LYS  27  -6.366  -1.997  -4.450
  663   2HD   LYS  27          2HD       LYS  27  -4.692  -2.394  -4.062
  664   1HE   LYS  27          1HE       LYS  27  -6.782  -4.363  -4.983
  665   2HE   LYS  27          2HE       LYS  27  -5.538  -3.647  -6.006
  666   1HZ   LYS  27          1HZ       LYS  27  -4.763  -5.087  -3.563
  667   2HZ   LYS  27          2HZ       LYS  27  -5.154  -5.959  -4.958
  668   3HZ   LYS  27          3HZ       LYS  27  -3.883  -4.844  -4.988
  669    H    ALA  28           H        ALA  28  -9.001  -6.088  -1.328
  670    HA   ALA  28           HA       ALA  28 -11.598  -5.698  -2.237
  671   1HB   ALA  28          1HB       ALA  28 -12.033  -7.979  -1.239
  672   2HB   ALA  28          2HB       ALA  28 -10.681  -7.873  -2.366
  673   3HB   ALA  28          3HB       ALA  28 -10.379  -7.929  -0.629
  674    H    LYS  29           H        LYS  29 -10.307  -5.692   1.030
  675    HA   LYS  29           HA       LYS  29 -12.802  -5.670   2.376
  676   1HB   LYS  29          1HB       LYS  29 -10.662  -6.321   3.449
  677   2HB   LYS  29          2HB       LYS  29 -10.103  -4.662   3.311
  678   1HG   LYS  29          1HG       LYS  29 -11.919  -3.933   4.782
  679   2HG   LYS  29          2HG       LYS  29 -12.451  -5.607   4.934
  680   1HD   LYS  29          1HD       LYS  29 -10.304  -6.211   5.926
  681   2HD   LYS  29          2HD       LYS  29  -9.758  -4.541   5.768
  682   1HE   LYS  29          1HE       LYS  29 -11.552  -3.812   7.259
  683   2HE   LYS  29          2HE       LYS  29 -12.105  -5.479   7.413
  684   1HZ   LYS  29          1HZ       LYS  29  -9.495  -5.652   8.080
  685   2HZ   LYS  29          2HZ       LYS  29  -9.919  -4.146   8.722
  686   3HZ   LYS  29          3HZ       LYS  29 -10.772  -5.532   9.182
  687    H    ILE  30           H        ILE  30 -10.613  -3.172   1.193
  688    HA   ILE  30           HA       ILE  30 -11.849  -0.944   2.341
  689    HB   ILE  30           HB       ILE  30 -10.509  -1.078  -0.367
  690   1HG1  ILE  30          1HG1      ILE  30  -9.353  -0.453   2.362
  691   2HG1  ILE  30          2HG1      ILE  30  -9.074  -1.932   1.450
  692   1HG2  ILE  30          1HG2      ILE  30 -11.323   1.186   1.427
  693   2HG2  ILE  30          2HG2      ILE  30 -10.001   1.365   0.273
  694   3HG2  ILE  30          3HG2      ILE  30 -11.622   0.972  -0.299
  695   1HD1  ILE  30          1HD1      ILE  30  -8.031  -0.552  -0.335
  696   2HD1  ILE  30          2HD1      ILE  30  -8.176   0.843   0.734
  697   3HD1  ILE  30          3HD1      ILE  30  -7.172  -0.528   1.204
  698    H    GLN  31           H        GLN  31 -12.653  -2.873  -0.475
  699    HA   GLN  31           HA       GLN  31 -14.584  -1.154  -1.612
  700   1HB   GLN  31          1HB       GLN  31 -14.591  -4.177  -1.655
  701   2HB   GLN  31          2HB       GLN  31 -15.383  -3.096  -2.800
  702   1HG   GLN  31          1HG       GLN  31 -13.184  -2.291  -3.535
  703   2HG   GLN  31          2HG       GLN  31 -12.416  -3.432  -2.433
  704   1HE2  GLN  31          2HE2      GLN  31 -11.671  -5.139  -3.445
  705   2HE2  GLN  31          1HE2      GLN  31 -12.398  -5.930  -4.796
  706    H    ASP  32           H        ASP  32 -14.767  -3.830   0.692
  707    HA   ASP  32           HA       ASP  32 -17.529  -3.754   1.143
  708   1HB   ASP  32          1HB       ASP  32 -16.188  -5.623   1.927
  709   2HB   ASP  32          2HB       ASP  32 -15.263  -4.560   2.979
  710    H    LYS  33           H        LYS  33 -14.862  -1.884   2.259
  711    HA   LYS  33           HA       LYS  33 -16.226  -0.497   4.347
  712   1HB   LYS  33          1HB       LYS  33 -13.581  -0.172   2.961
  713   2HB   LYS  33          2HB       LYS  33 -14.155   1.039   4.104
  714   1HG   LYS  33          1HG       LYS  33 -13.815  -1.889   4.728
  715   2HG   LYS  33          2HG       LYS  33 -12.636  -0.631   5.107
  716   1HD   LYS  33          1HD       LYS  33 -14.135   0.438   6.612
  717   2HD   LYS  33          2HD       LYS  33 -15.487  -0.559   6.074
  718   1HE   LYS  33          1HE       LYS  33 -14.549  -1.236   8.272
  719   2HE   LYS  33          2HE       LYS  33 -14.524  -2.513   7.058
  720   1HZ   LYS  33          1HZ       LYS  33 -12.164  -0.802   7.475
  721   2HZ   LYS  33          2HZ       LYS  33 -12.449  -2.129   8.484
  722   3HZ   LYS  33          3HZ       LYS  33 -12.248  -2.359   6.820
  723    H    GLU  34           H        GLU  34 -15.838  -0.066   0.922
  724    HA   GLU  34           HA       GLU  34 -17.590   2.272   1.063
  725   1HB   GLU  34          1HB       GLU  34 -15.321   3.178   0.901
  726   2HB   GLU  34          2HB       GLU  34 -15.019   2.200  -0.526
  727   1HG   GLU  34          1HG       GLU  34 -15.491   4.501  -1.127
  728   2HG   GLU  34          2HG       GLU  34 -16.742   3.420  -1.740
  729    H    GLY  35           H        GLY  35 -15.777   0.495  -1.472
  730   1HA   GLY  35          1HA       GLY  35 -18.224   0.410  -3.070
  731   2HA   GLY  35          2HA       GLY  35 -17.547  -1.132  -2.578
  732    H    ILE  36           H        ILE  36 -15.610   1.657  -3.389
  733    HA   ILE  36           HA       ILE  36 -15.203   1.350  -6.075
  734    HB   ILE  36           HB       ILE  36 -12.700   2.061  -5.313
  735   1HG1  ILE  36          1HG1      ILE  36 -12.948   3.561  -3.347
  736   2HG1  ILE  36          2HG1      ILE  36 -14.568   2.928  -3.090
  737   1HG2  ILE  36          1HG2      ILE  36 -15.220   3.551  -5.811
  738   2HG2  ILE  36          2HG2      ILE  36 -13.799   4.450  -5.280
  739   3HG2  ILE  36          3HG2      ILE  36 -13.732   3.487  -6.755
  740   1HD1  ILE  36          1HD1      ILE  36 -12.671   0.781  -3.219
  741   2HD1  ILE  36          2HD1      ILE  36 -12.184   1.977  -2.019
  742   3HD1  ILE  36          3HD1      ILE  36 -13.779   1.230  -1.922
  743    HA   PRO  37           HA       PRO  37 -13.414  -2.645  -6.805
  744   1HB   PRO  37          1HB       PRO  37 -12.032  -1.012  -8.898
  745   2HB   PRO  37          2HB       PRO  37 -12.823  -2.585  -9.052
  746   1HG   PRO  37          1HG       PRO  37 -14.052  -0.401  -9.901
  747   2HG   PRO  37          2HG       PRO  37 -14.959  -1.646  -9.027
  748   1HD   PRO  37          1HD       PRO  37 -14.011   1.019  -8.089
  749   2HD   PRO  37          2HD       PRO  37 -15.483   0.128  -7.657
  750    HA   PRO  38           HA       PRO  38  -9.455  -2.641  -4.842
  751   1HB   PRO  38          1HB       PRO  38  -8.134  -4.522  -6.393
  752   2HB   PRO  38          2HB       PRO  38  -9.196  -4.889  -5.033
  753   1HG   PRO  38          1HG       PRO  38  -9.770  -4.945  -7.957
  754   2HG   PRO  38          2HG       PRO  38 -10.347  -6.024  -6.675
  755   1HD   PRO  38          1HD       PRO  38 -11.910  -4.109  -7.739
  756   2HD   PRO  38          2HD       PRO  38 -12.020  -4.569  -6.030
  757    H    ASP  39           H        ASP  39  -9.469  -2.507  -8.377
  758    HA   ASP  39           HA       ASP  39  -6.844  -1.612  -8.759
  759   1HB   ASP  39          1HB       ASP  39  -9.309  -1.049 -10.422
  760   2HB   ASP  39          2HB       ASP  39  -7.650  -0.792 -10.950
  761    H    GLN  40           H        GLN  40  -9.788   0.074  -7.913
  762    HA   GLN  40           HA       GLN  40  -9.134   2.695  -8.455
  763   1HB   GLN  40          1HB       GLN  40 -10.617   1.638  -6.042
  764   2HB   GLN  40          2HB       GLN  40 -10.659   3.298  -6.613
  765   1HG   GLN  40          1HG       GLN  40 -11.520   1.000  -8.331
  766   2HG   GLN  40          2HG       GLN  40 -12.617   1.804  -7.210
  767   1HE2  GLN  40          2HE2      GLN  40 -13.834   3.266  -8.104
  768   2HE2  GLN  40          1HE2      GLN  40 -13.422   4.261  -9.460
  769    H    GLN  41           H        GLN  41  -8.583   0.969  -5.390
  770    HA   GLN  41           HA       GLN  41  -7.209   2.986  -4.059
  771   1HB   GLN  41          1HB       GLN  41  -7.074  -0.013  -3.813
  772   2HB   GLN  41          2HB       GLN  41  -6.174   1.054  -2.749
  773   1HG   GLN  41          1HG       GLN  41  -8.204   0.354  -1.678
  774   2HG   GLN  41          2HG       GLN  41  -8.276   2.080  -2.016
  775   1HE2  GLN  41          2HE2      GLN  41  -9.895  -0.814  -2.222
  776   2HE2  GLN  41          1HE2      GLN  41 -11.128  -0.357  -3.343
  777    H    ARG  42           H        ARG  42  -5.249   3.837  -4.237
  778    HA   ARG  42           HA       ARG  42  -3.390   2.673  -6.135
  779   1HB   ARG  42          1HB       ARG  42  -3.575   5.395  -4.877
  780   2HB   ARG  42          2HB       ARG  42  -2.184   4.890  -5.822
  781   1HG   ARG  42          1HG       ARG  42  -5.016   4.975  -6.835
  782   2HG   ARG  42          2HG       ARG  42  -3.793   6.215  -7.117
  783   1HD   ARG  42          1HD       ARG  42  -2.385   4.565  -8.248
  784   2HD   ARG  42          2HD       ARG  42  -3.615   3.333  -7.979
  785    HE   ARG  42           HE       ARG  42  -4.802   5.473  -9.327
  786   1HH1  ARG  42          1HH1      ARG  42  -2.407   3.003  -9.879
  787   2HH1  ARG  42          2HH1      ARG  42  -2.696   2.924 -11.586
  788   1HH2  ARG  42          1HH2      ARG  42  -5.189   5.376 -11.571
  789   2HH2  ARG  42          2HH2      ARG  42  -4.277   4.273 -12.548
  790    H    LEU  43           H        LEU  43  -1.602   1.629  -5.537
  791    HA   LEU  43           HA       LEU  43  -1.003   1.219  -2.784
  792   1HB   LEU  43          1HB       LEU  43   0.400   0.472  -5.335
  793   2HB   LEU  43          2HB       LEU  43   1.119   0.147  -3.770
  794    HG   LEU  43           HG       LEU  43  -0.824  -1.241  -3.174
  795   1HD1  LEU  43          1HD1      LEU  43  -2.442  -0.048  -4.653
  796   2HD1  LEU  43          2HD1      LEU  43  -1.716  -0.884  -6.026
  797   3HD1  LEU  43          3HD1      LEU  43  -2.517  -1.808  -4.756
  798   1HD2  LEU  43          1HD2      LEU  43   1.204  -2.187  -4.261
  799   2HD2  LEU  43          2HD2      LEU  43  -0.265  -3.126  -4.526
  800   3HD2  LEU  43          3HD2      LEU  43   0.360  -2.087  -5.806
  801    H    ILE  44           H        ILE  44   0.116   2.482  -1.475
  802    HA   ILE  44           HA       ILE  44   2.315   4.086  -2.534
  803    HB   ILE  44           HB       ILE  44   0.061   5.258  -0.903
  804   1HG1  ILE  44          1HG1      ILE  44   1.006   5.877  -3.712
  805   2HG1  ILE  44          2HG1      ILE  44  -0.438   4.953  -3.317
  806   1HG2  ILE  44          1HG2      ILE  44   2.684   5.961  -0.735
  807   2HG2  ILE  44          2HG2      ILE  44   2.110   7.040  -2.006
  808   3HG2  ILE  44          3HG2      ILE  44   1.330   7.048  -0.425
  809   1HD1  ILE  44          1HD1      ILE  44  -1.107   7.081  -1.992
  810   2HD1  ILE  44          2HD1      ILE  44   0.080   7.868  -3.033
  811   3HD1  ILE  44          3HD1      ILE  44  -1.299   7.029  -3.745
  812    H    PHE  45           H        PHE  45   4.033   4.053  -1.232
  813    HA   PHE  45           HA       PHE  45   3.651   3.366   1.602
  814   1HB   PHE  45          1HB       PHE  45   5.730   2.227  -0.278
  815   2HB   PHE  45          2HB       PHE  45   5.760   2.021   1.470
  816    HD1  PHE  45           HD1      PHE  45   3.387   1.536  -1.377
  817    HD2  PHE  45           HD2      PHE  45   4.925   0.067   2.308
  818    HE1  PHE  45           HE1      PHE  45   1.970  -0.464  -1.588
  819    HE2  PHE  45           HE2      PHE  45   3.512  -1.936   2.103
  820    HZ   PHE  45           HZ       PHE  45   2.032  -2.204   0.154
  821    H    ALA  46           H        ALA  46   5.059   4.332   3.064
  822    HA   ALA  46           HA       ALA  46   7.147   6.090   2.009
  823   1HB   ALA  46          1HB       ALA  46   5.833   7.888   2.159
  824   2HB   ALA  46          2HB       ALA  46   4.601   7.015   3.072
  825   3HB   ALA  46          3HB       ALA  46   5.989   7.712   3.907
  826    H    GLY  47           H        GLY  47   8.922   5.998   3.218
  827   1HA   GLY  47          1HA       GLY  47  10.343   5.324   4.892
  828   2HA   GLY  47          2HA       GLY  47   9.030   4.352   5.532
  829    H    LYS  48           H        LYS  48  11.097   6.162   6.757
  830    HA   LYS  48           HA       LYS  48   9.407   7.276   8.783
  831   1HB   LYS  48          1HB       LYS  48  11.602   6.259   9.279
  832   2HB   LYS  48          2HB       LYS  48  12.390   7.547   8.379
  833   1HG   LYS  48          1HG       LYS  48  12.543   7.978  10.742
  834   2HG   LYS  48          2HG       LYS  48  11.506   9.185   9.982
  835   1HD   LYS  48          1HD       LYS  48   9.527   7.966  10.736
  836   2HD   LYS  48          2HD       LYS  48  10.558   6.747  11.485
  837   1HE   LYS  48          1HE       LYS  48  11.500   8.465  12.958
  838   2HE   LYS  48          2HE       LYS  48  10.451   9.670  12.218
  839   1HZ   LYS  48          1HZ       LYS  48   8.838   7.555  13.030
  840   2HZ   LYS  48          2HZ       LYS  48   9.872   7.903  14.324
  841   3HZ   LYS  48          3HZ       LYS  48   8.896   9.120  13.670
  842    H    GLN  49           H        GLN  49   8.209   8.702   7.318
  843    HA   GLN  49           HA       GLN  49   9.431  10.967   6.138
  844   1HB   GLN  49          1HB       GLN  49   6.591  10.620   7.133
  845   2HB   GLN  49          2HB       GLN  49   7.145  11.887   6.051
  846   1HG   GLN  49          1HG       GLN  49   7.673  10.232   4.353
  847   2HG   GLN  49          2HG       GLN  49   7.175   8.940   5.443
  848   1HE2  GLN  49          2HE2      GLN  49   6.222  10.685   2.877
  849   2HE2  GLN  49          1HE2      GLN  49   4.506  10.596   3.063
  850    H    LEU  50           H        LEU  50  10.547  12.422   7.290
  851    HA   LEU  50           HA       LEU  50  10.523  12.733  10.028
  852   1HB   LEU  50          1HB       LEU  50  11.174  14.846   7.976
  853   2HB   LEU  50          2HB       LEU  50  11.589  14.933   9.675
  854    HG   LEU  50           HG       LEU  50  13.579  14.240   8.787
  855   1HD1  LEU  50          1HD1      LEU  50  12.269  12.375  10.264
  856   2HD1  LEU  50          2HD1      LEU  50  12.735  11.441   8.843
  857   3HD1  LEU  50          3HD1      LEU  50  13.965  12.281   9.788
  858   1HD2  LEU  50          1HD2      LEU  50  11.900  13.134   6.650
  859   2HD2  LEU  50          2HD2      LEU  50  13.454  13.965   6.570
  860   3HD2  LEU  50          3HD2      LEU  50  13.391  12.252   6.982
  861    H    GLU  51           H        GLU  51   8.281  12.664  10.604
  862    HA   GLU  51           HA       GLU  51   6.392  14.602   9.873
  863   1HB   GLU  51          1HB       GLU  51   6.598  13.016  12.438
  864   2HB   GLU  51          2HB       GLU  51   5.177  13.909  11.916
  865   1HG   GLU  51          1HG       GLU  51   6.418  11.597  10.441
  866   2HG   GLU  51          2HG       GLU  51   4.998  11.505  11.480

  No H/Q in entry =         866
  Start of MODEL   16
    1    H1   GLY  -1           H1       GLY  -1   3.597   0.768 -15.972
    2    H2   GLY  -1           H2       GLY  -1   4.843   1.300 -16.986
    3    H3   GLY  -1           H3       GLY  -1   3.966  -0.093 -17.380
    4   1HA   GLY  -1          1HA       GLY  -1   5.947   0.280 -15.218
    5   2HA   GLY  -1          2HA       GLY  -1   5.986  -0.883 -16.532
    6    H    SER   0           H        SER   0   3.414  -1.892 -16.426
    7    HA   SER   0           HA       SER   0   2.113  -3.433 -15.380
    8   1HB   SER   0          1HB       SER   0   4.669  -3.946 -13.840
    9   2HB   SER   0          2HB       SER   0   3.275  -5.026 -13.886
   10    HG   SER   0           HG       SER   0   3.810  -4.581 -16.373
   11    H    MET   1           H        MET   1   2.783  -4.187 -12.455
   12    HA   MET   1           HA       MET   1   0.966  -2.272 -11.298
   13   1HB   MET   1          1HB       MET   1   0.768  -4.678 -10.811
   14   2HB   MET   1          2HB       MET   1   2.353  -4.655 -10.056
   15   1HG   MET   1          1HG       MET   1   0.562  -4.628  -8.408
   16   2HG   MET   1          2HG       MET   1   1.542  -3.165  -8.329
   17   1HE   MET   1          1HE       MET   1  -1.054  -3.288  -6.833
   18   2HE   MET   1          2HE       MET   1  -0.283  -1.709  -6.982
   19   3HE   MET   1          3HE       MET   1  -2.005  -1.886  -7.327
   20    H    GLN   2           H        GLN   2   3.168  -0.864 -11.990
   21    HA   GLN   2           HA       GLN   2   5.197  -0.697 -10.060
   22   1HB   GLN   2          1HB       GLN   2   5.696   1.497 -11.019
   23   2HB   GLN   2          2HB       GLN   2   5.395   0.317 -12.284
   24   1HG   GLN   2          1HG       GLN   2   3.104   1.193 -12.519
   25   2HG   GLN   2          2HG       GLN   2   3.477   2.416 -11.304
   26   1HE2  GLN   2          2HE2      GLN   2   3.865   4.313 -12.161
   27   2HE2  GLN   2          1HE2      GLN   2   4.665   4.618 -13.660
   28    H    ILE   3           H        ILE   3   4.881  -0.331  -7.984
   29    HA   ILE   3           HA       ILE   3   2.639   1.213  -7.028
   30    HB   ILE   3           HB       ILE   3   3.472   0.622  -4.778
   31   1HG1  ILE   3          1HG1      ILE   3   5.622  -0.888  -6.274
   32   2HG1  ILE   3          2HG1      ILE   3   5.880   0.567  -5.318
   33   1HG2  ILE   3          1HG2      ILE   3   2.109  -0.919  -6.448
   34   2HG2  ILE   3          2HG2      ILE   3   3.525  -1.950  -6.245
   35   3HG2  ILE   3          3HG2      ILE   3   2.580  -1.464  -4.838
   36   1HD1  ILE   3          1HD1      ILE   3   4.529  -1.360  -3.713
   37   2HD1  ILE   3          2HD1      ILE   3   5.938  -2.111  -4.465
   38   3HD1  ILE   3          3HD1      ILE   3   6.131  -0.651  -3.495
   39    H    PHE   4           H        PHE   4   2.724   3.176  -6.003
   40    HA   PHE   4           HA       PHE   4   5.112   4.754  -6.493
   41   1HB   PHE   4          1HB       PHE   4   2.371   5.513  -5.456
   42   2HB   PHE   4          2HB       PHE   4   3.686   6.658  -5.684
   43    HD1  PHE   4           HD1      PHE   4   2.270   3.891  -7.765
   44    HD2  PHE   4           HD2      PHE   4   3.309   8.009  -7.481
   45    HE1  PHE   4           HE1      PHE   4   1.584   4.222 -10.105
   46    HE2  PHE   4           HE2      PHE   4   2.625   8.347  -9.820
   47    HZ   PHE   4           HZ       PHE   4   1.761   6.452 -11.135
   48    H    VAL   5           H        VAL   5   6.555   5.307  -4.958
   49    HA   VAL   5           HA       VAL   5   5.808   5.125  -2.137
   50    HB   VAL   5           HB       VAL   5   8.154   3.630  -3.321
   51   1HG1  VAL   5          1HG1      VAL   5   7.776   4.701  -0.703
   52   2HG1  VAL   5          2HG1      VAL   5   7.738   2.941  -0.618
   53   3HG1  VAL   5          3HG1      VAL   5   9.127   3.759  -1.333
   54   1HG2  VAL   5          1HG2      VAL   5   5.635   2.653  -1.984
   55   2HG2  VAL   5          2HG2      VAL   5   6.083   2.447  -3.677
   56   3HG2  VAL   5          3HG2      VAL   5   7.010   1.636  -2.415
   57    H    LYS   6           H        LYS   6   7.017   6.397  -0.769
   58    HA   LYS   6           HA       LYS   6   8.855   8.274  -2.092
   59   1HB   LYS   6          1HB       LYS   6   7.227   8.627   0.432
   60   2HB   LYS   6          2HB       LYS   6   8.325   9.825  -0.241
   61   1HG   LYS   6          1HG       LYS   6   6.944   9.954  -2.256
   62   2HG   LYS   6          2HG       LYS   6   5.836   8.766  -1.566
   63   1HD   LYS   6          1HD       LYS   6   5.352  10.286   0.285
   64   2HD   LYS   6          2HD       LYS   6   6.469  11.473  -0.393
   65   1HE   LYS   6          1HE       LYS   6   3.958  10.444  -1.708
   66   2HE   LYS   6          2HE       LYS   6   4.155  12.019  -0.944
   67   1HZ   LYS   6          1HZ       LYS   6   5.942  12.468  -2.586
   68   2HZ   LYS   6          2HZ       LYS   6   5.533  11.029  -3.376
   69   3HZ   LYS   6          3HZ       LYS   6   4.409  12.290  -3.278
   70    H    THR   7           H        THR   7  10.930   8.331  -1.479
   71    HA   THR   7           HA       THR   7  11.962   6.374   0.291
   72    HB   THR   7           HB       THR   7  14.143   7.455  -0.061
   73    HG1  THR   7           HG1      THR   7  14.145   9.520  -0.492
   74   1HG2  THR   7          1HG2      THR   7  12.420   7.113  -2.513
   75   2HG2  THR   7          2HG2      THR   7  14.170   7.318  -2.572
   76   3HG2  THR   7          3HG2      THR   7  13.474   5.917  -1.760
   77    H    LEU   8           H        LEU   8  14.025   7.920   1.555
   78    HA   LEU   8           HA       LEU   8  12.830   8.443   4.031
   79   1HB   LEU   8          1HB       LEU   8  15.495   9.308   2.911
   80   2HB   LEU   8          2HB       LEU   8  15.031   9.494   4.592
   81    HG   LEU   8           HG       LEU   8  14.982   6.792   3.290
   82   1HD1  LEU   8          1HD1      LEU   8  14.808   7.907   6.009
   83   2HD1  LEU   8          2HD1      LEU   8  14.067   6.462   5.319
   84   3HD1  LEU   8          3HD1      LEU   8  15.754   6.430   5.831
   85   1HD2  LEU   8          1HD2      LEU   8  17.325   8.408   3.883
   86   2HD2  LEU   8          2HD2      LEU   8  17.321   6.847   4.702
   87   3HD2  LEU   8          3HD2      LEU   8  17.173   6.921   2.946
   88    H    THR   9           H        THR   9  14.095  10.728   1.601
   89    HA   THR   9           HA       THR   9  13.089  13.009   3.023
   90    HB   THR   9           HB       THR   9  15.069  13.300   1.674
   91    HG1  THR   9           HG1      THR   9  14.448  15.192   0.784
   92   1HG2  THR   9          1HG2      THR   9  14.296  11.513  -0.022
   93   2HG2  THR   9          2HG2      THR   9  13.482  12.851  -0.833
   94   3HG2  THR   9          3HG2      THR   9  15.233  12.884  -0.617
   95    H    GLY  10           H        GLY  10  12.145  11.242   0.092
   96   1HA   GLY  10          1HA       GLY  10   9.690  12.839  -0.071
   97   2HA   GLY  10          2HA       GLY  10   9.541  11.105   0.151
   98    H    LYS  11           H        LYS  11  11.856  10.485  -1.510
   99    HA   LYS  11           HA       LYS  11  11.282  11.529  -4.137
  100   1HB   LYS  11          1HB       LYS  11  13.582  11.000  -3.513
  101   2HB   LYS  11          2HB       LYS  11  13.141   9.319  -3.242
  102   1HG   LYS  11          1HG       LYS  11  12.566   9.110  -5.626
  103   2HG   LYS  11          2HG       LYS  11  13.090  10.775  -5.877
  104   1HD   LYS  11          1HD       LYS  11  15.341  10.178  -5.118
  105   2HD   LYS  11          2HD       LYS  11  14.813   8.510  -4.878
  106   1HE   LYS  11          1HE       LYS  11  15.999   8.753  -6.993
  107   2HE   LYS  11          2HE       LYS  11  14.310   8.322  -7.260
  108   1HZ   LYS  11          1HZ       LYS  11  15.196  11.139  -7.316
  109   2HZ   LYS  11          2HZ       LYS  11  15.311  10.158  -8.690
  110   3HZ   LYS  11          3HZ       LYS  11  13.801  10.456  -7.986
  111    H    THR  12           H        THR  12  10.021  10.651  -5.663
  112    HA   THR  12           HA       THR  12   8.335   8.435  -5.010
  113    HB   THR  12           HB       THR  12   8.681   9.859  -7.659
  114    HG1  THR  12           HG1      THR  12   6.386  10.452  -6.488
  115   1HG2  THR  12          1HG2      THR  12   7.649   7.629  -7.869
  116   2HG2  THR  12          2HG2      THR  12   6.434   8.094  -6.678
  117   3HG2  THR  12          3HG2      THR  12   6.508   8.923  -8.233
  118    H    ILE  13           H        ILE  13   8.458   6.338  -5.660
  119    HA   ILE  13           HA       ILE  13  10.548   5.586  -7.574
  120    HB   ILE  13           HB       ILE  13  11.717   5.204  -5.581
  121   1HG1  ILE  13          1HG1      ILE  13  10.351   2.627  -6.372
  122   2HG1  ILE  13          2HG1      ILE  13  11.866   3.263  -7.005
  123   1HG2  ILE  13          1HG2      ILE  13   9.647   5.498  -4.160
  124   2HG2  ILE  13          2HG2      ILE  13   9.386   3.763  -4.359
  125   3HG2  ILE  13          3HG2      ILE  13  10.852   4.353  -3.572
  126   1HD1  ILE  13          1HD1      ILE  13  11.566   2.627  -4.099
  127   2HD1  ILE  13          2HD1      ILE  13  11.947   1.371  -5.277
  128   3HD1  ILE  13          3HD1      ILE  13  13.034   2.744  -5.070
  129    H    THR  14           H        THR  14   9.791   4.268  -9.062
  130    HA   THR  14           HA       THR  14   7.213   2.988  -8.704
  131    HB   THR  14           HB       THR  14   8.078   2.146 -11.154
  132    HG1  THR  14           HG1      THR  14   9.063   4.003 -12.107
  133   1HG2  THR  14          1HG2      THR  14   6.226   4.058 -10.083
  134   2HG2  THR  14          2HG2      THR  14   6.906   4.658 -11.597
  135   3HG2  THR  14          3HG2      THR  14   6.107   3.084 -11.549
  136    H    LEU  15           H        LEU  15   6.830   0.807  -8.757
  137    HA   LEU  15           HA       LEU  15   8.964  -1.082  -9.133
  138   1HB   LEU  15          1HB       LEU  15   9.417  -0.384  -6.854
  139   2HB   LEU  15          2HB       LEU  15   7.752  -0.650  -6.396
  140    HG   LEU  15           HG       LEU  15   9.583  -2.874  -7.303
  141   1HD1  LEU  15          1HD1      LEU  15  10.505  -1.792  -5.309
  142   2HD1  LEU  15          2HD1      LEU  15   8.951  -1.984  -4.494
  143   3HD1  LEU  15          3HD1      LEU  15   9.890  -3.406  -4.950
  144   1HD2  LEU  15          1HD2      LEU  15   6.828  -2.701  -6.202
  145   2HD2  LEU  15          2HD2      LEU  15   7.486  -3.762  -7.449
  146   3HD2  LEU  15          3HD2      LEU  15   7.836  -4.077  -5.749
  147    H    GLU  16           H        GLU  16   7.981  -2.512 -10.374
  148    HA   GLU  16           HA       GLU  16   5.133  -2.980 -10.144
  149   1HB   GLU  16          1HB       GLU  16   5.382  -4.227 -12.220
  150   2HB   GLU  16          2HB       GLU  16   6.163  -2.654 -12.345
  151   1HG   GLU  16          1HG       GLU  16   8.336  -3.735 -11.909
  152   2HG   GLU  16          2HG       GLU  16   7.528  -5.299 -11.888
  153    H    VAL  17           H        VAL  17   4.180  -4.720  -9.314
  154    HA   VAL  17           HA       VAL  17   5.518  -7.244  -8.974
  155    HB   VAL  17           HB       VAL  17   4.966  -7.273  -6.464
  156   1HG1  VAL  17          1HG1      VAL  17   7.247  -7.333  -7.343
  157   2HG1  VAL  17          2HG1      VAL  17   7.261  -5.572  -7.434
  158   3HG1  VAL  17          3HG1      VAL  17   7.155  -6.373  -5.866
  159   1HG2  VAL  17          1HG2      VAL  17   4.295  -4.561  -7.130
  160   2HG2  VAL  17          2HG2      VAL  17   4.038  -5.443  -5.623
  161   3HG2  VAL  17          3HG2      VAL  17   5.562  -4.600  -5.902
  162    H    GLU  18           H        GLU  18   4.096  -8.929  -8.562
  163    HA   GLU  18           HA       GLU  18   1.480  -8.662  -9.468
  164   1HB   GLU  18          1HB       GLU  18   2.562 -10.831  -7.662
  165   2HB   GLU  18          2HB       GLU  18   1.144 -10.946  -8.695
  166   1HG   GLU  18          1HG       GLU  18   2.557 -10.693 -10.668
  167   2HG   GLU  18          2HG       GLU  18   3.978 -10.572  -9.633
  168    HA   PRO  19           HA       PRO  19  -0.750  -6.955  -6.039
  169   1HB   PRO  19          1HB       PRO  19  -3.204  -8.036  -6.588
  170   2HB   PRO  19          2HB       PRO  19  -2.538  -6.640  -7.432
  171   1HG   PRO  19          1HG       PRO  19  -2.545  -9.516  -8.249
  172   2HG   PRO  19          2HG       PRO  19  -2.935  -8.079  -9.207
  173   1HD   PRO  19          1HD       PRO  19  -0.549  -9.248  -9.411
  174   2HD   PRO  19          2HD       PRO  19  -0.692  -7.482  -9.446
  175    H    SER  20           H        SER  20  -1.226 -10.383  -6.804
  176    HA   SER  20           HA       SER  20  -2.278 -11.150  -4.309
  177   1HB   SER  20          1HB       SER  20  -0.751 -12.788  -6.344
  178   2HB   SER  20          2HB       SER  20  -1.678 -13.452  -5.001
  179    HG   SER  20           HG       SER  20  -2.681 -13.182  -7.233
  180    H    ASP  21           H        ASP  21   0.902 -10.369  -5.312
  181    HA   ASP  21           HA       ASP  21   2.460 -11.902  -3.573
  182   1HB   ASP  21          1HB       ASP  21   3.360 -10.489  -5.415
  183   2HB   ASP  21          2HB       ASP  21   2.990  -9.056  -4.460
  184    H    THR  22           H        THR  22   2.929 -11.796  -1.449
  185    HA   THR  22           HA       THR  22   1.253 -10.497   0.350
  186    HB   THR  22           HB       THR  22   2.934 -11.040   2.088
  187    HG1  THR  22           HG1      THR  22   4.528 -12.319   0.168
  188   1HG2  THR  22          1HG2      THR  22   1.297 -12.718   1.108
  189   2HG2  THR  22          2HG2      THR  22   2.660 -13.354   0.185
  190   3HG2  THR  22          3HG2      THR  22   2.698 -13.384   1.948
  191    H    ILE  23           H        ILE  23   1.396  -8.661   1.578
  192    HA   ILE  23           HA       ILE  23   2.599  -6.393   0.474
  193    HB   ILE  23           HB       ILE  23   1.731  -6.806   3.342
  194   1HG1  ILE  23          1HG1      ILE  23   0.225  -5.662   0.977
  195   2HG1  ILE  23          2HG1      ILE  23  -0.067  -7.234   1.709
  196   1HG2  ILE  23          1HG2      ILE  23   3.019  -4.605   2.045
  197   2HG2  ILE  23          2HG2      ILE  23   1.390  -4.133   2.530
  198   3HG2  ILE  23          3HG2      ILE  23   2.518  -4.766   3.727
  199   1HD1  ILE  23          1HD1      ILE  23  -0.183  -5.116   3.669
  200   2HD1  ILE  23          2HD1      ILE  23  -1.315  -4.852   2.342
  201   3HD1  ILE  23          3HD1      ILE  23  -1.374  -6.353   3.266
  202    H    GLU  24           H        GLU  24   3.651  -8.544   3.060
  203    HA   GLU  24           HA       GLU  24   5.858  -7.113   3.970
  204   1HB   GLU  24          1HB       GLU  24   5.039  -8.965   5.230
  205   2HB   GLU  24          2HB       GLU  24   5.255 -10.066   3.878
  206   1HG   GLU  24          1HG       GLU  24   6.960 -10.463   5.492
  207   2HG   GLU  24          2HG       GLU  24   7.684  -9.754   4.052
  208    H    ASN  25           H        ASN  25   5.600  -9.531   1.385
  209    HA   ASN  25           HA       ASN  25   8.349  -9.593   0.742
  210   1HB   ASN  25          1HB       ASN  25   6.762 -11.352   0.060
  211   2HB   ASN  25          2HB       ASN  25   5.970 -10.214  -1.023
  212   1HD2  ASN  25          2HD2      ASN  25   8.070 -12.687  -0.922
  213   2HD2  ASN  25          1HD2      ASN  25   9.003 -12.356  -2.338
  214    H    VAL  26           H        VAL  26   5.636  -7.737  -0.592
  215    HA   VAL  26           HA       VAL  26   7.004  -6.483  -2.682
  216    HB   VAL  26           HB       VAL  26   4.722  -5.350  -1.052
  217   1HG1  VAL  26          1HG1      VAL  26   5.904  -3.700  -2.460
  218   2HG1  VAL  26          2HG1      VAL  26   5.584  -4.713  -3.867
  219   3HG1  VAL  26          3HG1      VAL  26   4.244  -3.986  -2.982
  220   1HG2  VAL  26          1HG2      VAL  26   4.564  -7.675  -2.282
  221   2HG2  VAL  26          2HG2      VAL  26   3.238  -6.515  -2.336
  222   3HG2  VAL  26          3HG2      VAL  26   4.350  -6.647  -3.698
  223    H    LYS  27           H        LYS  27   6.444  -5.357   0.651
  224    HA   LYS  27           HA       LYS  27   7.843  -2.927   0.384
  225   1HB   LYS  27          1HB       LYS  27   7.414  -4.569   2.886
  226   2HB   LYS  27          2HB       LYS  27   7.860  -2.871   2.830
  227   1HG   LYS  27          1HG       LYS  27   5.719  -2.400   1.671
  228   2HG   LYS  27          2HG       LYS  27   5.271  -4.090   1.901
  229   1HD   LYS  27          1HD       LYS  27   5.860  -2.087   4.080
  230   2HD   LYS  27          2HD       LYS  27   4.268  -2.694   3.623
  231   1HE   LYS  27          1HE       LYS  27   4.990  -4.969   4.241
  232   2HE   LYS  27          2HE       LYS  27   6.542  -4.313   4.761
  233   1HZ   LYS  27          1HZ       LYS  27   4.953  -2.786   6.182
  234   2HZ   LYS  27          2HZ       LYS  27   3.923  -4.121   6.038
  235   3HZ   LYS  27          3HZ       LYS  27   5.454  -4.306   6.732
  236    H    ALA  28           H        ALA  28   8.859  -6.177   1.242
  237    HA   ALA  28           HA       ALA  28  11.402  -5.690   2.226
  238   1HB   ALA  28          1HB       ALA  28  11.941  -7.981   1.240
  239   2HB   ALA  28          2HB       ALA  28  10.278  -7.989   0.654
  240   3HB   ALA  28          3HB       ALA  28  10.602  -7.891   2.384
  241    H    LYS  29           H        LYS  29  10.256  -5.774  -1.098
  242    HA   LYS  29           HA       LYS  29  12.823  -5.688  -2.309
  243   1HB   LYS  29          1HB       LYS  29  10.813  -6.467  -3.508
  244   2HB   LYS  29          2HB       LYS  29  10.136  -4.847  -3.422
  245   1HG   LYS  29          1HG       LYS  29  11.856  -3.984  -4.843
  246   2HG   LYS  29          2HG       LYS  29  12.718  -5.524  -4.812
  247   1HD   LYS  29          1HD       LYS  29  10.800  -6.594  -5.924
  248   2HD   LYS  29          2HD       LYS  29   9.989  -5.030  -5.997
  249   1HE   LYS  29          1HE       LYS  29  11.799  -4.144  -7.371
  250   2HE   LYS  29          2HE       LYS  29  12.635  -5.692  -7.281
  251   1HZ   LYS  29          1HZ       LYS  29   9.942  -5.957  -8.206
  252   2HZ   LYS  29          2HZ       LYS  29  10.860  -4.944  -9.202
  253   3HZ   LYS  29          3HZ       LYS  29  11.380  -6.524  -8.896
  254    H    ILE  30           H        ILE  30  10.476  -3.256  -1.297
  255    HA   ILE  30           HA       ILE  30  11.622  -0.984  -2.428
  256    HB   ILE  30           HB       ILE  30  10.274  -1.212   0.269
  257   1HG1  ILE  30          1HG1      ILE  30   8.905  -2.018  -1.644
  258   2HG1  ILE  30          2HG1      ILE  30   8.230  -0.588  -0.874
  259   1HG2  ILE  30          1HG2      ILE  30  11.662   0.868  -0.213
  260   2HG2  ILE  30          2HG2      ILE  30  10.450   1.255  -1.435
  261   3HG2  ILE  30          3HG2      ILE  30   9.981   1.117   0.259
  262   1HD1  ILE  30          1HD1      ILE  30   9.980  -0.304  -3.271
  263   2HD1  ILE  30          2HD1      ILE  30   8.284  -0.751  -3.450
  264   3HD1  ILE  30          3HD1      ILE  30   8.718   0.770  -2.669
  265    H    GLN  31           H        GLN  31  12.419  -2.753   0.501
  266    HA   GLN  31           HA       GLN  31  14.296  -0.990   1.611
  267   1HB   GLN  31          1HB       GLN  31  13.452  -2.816   2.920
  268   2HB   GLN  31          2HB       GLN  31  13.991  -3.994   1.731
  269   1HG   GLN  31          1HG       GLN  31  16.314  -3.437   2.256
  270   2HG   GLN  31          2HG       GLN  31  15.756  -2.297   3.478
  271   1HE2  GLN  31          2HE2      GLN  31  13.625  -4.815   3.444
  272   2HE2  GLN  31          1HE2      GLN  31  14.304  -5.778   4.704
  273    H    ASP  32           H        ASP  32  14.645  -3.751  -0.571
  274    HA   ASP  32           HA       ASP  32  17.428  -3.528  -0.938
  275   1HB   ASP  32          1HB       ASP  32  16.266  -5.578  -1.504
  276   2HB   ASP  32          2HB       ASP  32  15.280  -4.733  -2.692
  277    H    LYS  33           H        LYS  33  14.670  -1.993  -2.336
  278    HA   LYS  33           HA       LYS  33  15.959  -0.844  -4.594
  279   1HB   LYS  33          1HB       LYS  33  13.351  -0.291  -3.188
  280   2HB   LYS  33          2HB       LYS  33  13.875   0.634  -4.592
  281   1HG   LYS  33          1HG       LYS  33  13.421  -2.343  -4.505
  282   2HG   LYS  33          2HG       LYS  33  12.329  -1.147  -5.204
  283   1HD   LYS  33          1HD       LYS  33  15.153  -1.685  -6.124
  284   2HD   LYS  33          2HD       LYS  33  13.689  -2.274  -6.916
  285   1HE   LYS  33          1HE       LYS  33  12.976   0.032  -7.312
  286   2HE   LYS  33          2HE       LYS  33  14.438   0.621  -6.521
  287   1HZ   LYS  33          1HZ       LYS  33  15.460  -1.017  -8.370
  288   2HZ   LYS  33          2HZ       LYS  33  14.086  -0.456  -9.183
  289   3HZ   LYS  33          3HZ       LYS  33  15.231   0.643  -8.602
  290    H    GLU  34           H        GLU  34  15.483   0.141  -1.266
  291    HA   GLU  34           HA       GLU  34  17.242   2.433  -1.762
  292   1HB   GLU  34          1HB       GLU  34  14.929   3.289  -1.762
  293   2HB   GLU  34          2HB       GLU  34  14.677   2.592  -0.168
  294   1HG   GLU  34          1HG       GLU  34  15.095   4.974  -0.023
  295   2HG   GLU  34          2HG       GLU  34  16.383   4.058   0.759
  296    H    GLY  35           H        GLY  35  15.424   1.023   0.991
  297   1HA   GLY  35          1HA       GLY  35  17.756   1.343   2.685
  298   2HA   GLY  35          2HA       GLY  35  17.349  -0.321   2.302
  299    H    ILE  36           H        ILE  36  15.122   2.367   2.913
  300    HA   ILE  36           HA       ILE  36  14.571   2.076   5.548
  301    HB   ILE  36           HB       ILE  36  12.047   2.462   4.678
  302   1HG1  ILE  36          1HG1      ILE  36  12.185   3.863   2.624
  303   2HG1  ILE  36          2HG1      ILE  36  13.864   3.377   2.435
  304   1HG2  ILE  36          1HG2      ILE  36  14.362   4.220   5.196
  305   2HG2  ILE  36          2HG2      ILE  36  12.943   4.962   4.458
  306   3HG2  ILE  36          3HG2      ILE  36  12.797   4.125   6.003
  307   1HD1  ILE  36          1HD1      ILE  36  11.928   1.181   2.667
  308   2HD1  ILE  36          2HD1      ILE  36  11.805   2.175   1.214
  309   3HD1  ILE  36          3HD1      ILE  36  13.324   1.368   1.603
  310    HA   PRO  37           HA       PRO  37  13.295  -2.101   6.358
  311   1HB   PRO  37          1HB       PRO  37  11.646  -0.585   8.340
  312   2HB   PRO  37          2HB       PRO  37  12.621  -2.039   8.579
  313   1HG   PRO  37          1HG       PRO  37  13.512   0.334   9.376
  314   2HG   PRO  37          2HG       PRO  37  14.611  -0.844   8.637
  315   1HD   PRO  37          1HD       PRO  37  13.481   1.655   7.506
  316   2HD   PRO  37          2HD       PRO  37  15.023   0.853   7.159
  317    HA   PRO  38           HA       PRO  38   9.504  -2.369   4.020
  318   1HB   PRO  38          1HB       PRO  38   9.124  -4.875   5.571
  319   2HB   PRO  38          2HB       PRO  38   9.121  -4.625   3.824
  320   1HG   PRO  38          1HG       PRO  38  11.193  -5.786   5.031
  321   2HG   PRO  38          2HG       PRO  38  11.435  -4.661   3.683
  322   1HD   PRO  38          1HD       PRO  38  11.811  -4.218   6.615
  323   2HD   PRO  38          2HD       PRO  38  12.774  -3.617   5.251
  324    H    ASP  39           H        ASP  39   9.498  -3.204   7.467
  325    HA   ASP  39           HA       ASP  39   6.726  -2.857   7.877
  326   1HB   ASP  39          1HB       ASP  39   9.019  -2.693   9.843
  327   2HB   ASP  39          2HB       ASP  39   7.317  -2.798  10.283
  328    H    GLN  40           H        GLN  40   9.468  -0.655   8.057
  329    HA   GLN  40           HA       GLN  40   8.212   1.463   9.376
  330   1HB   GLN  40          1HB       GLN  40  10.665   1.271   8.919
  331   2HB   GLN  40          2HB       GLN  40  10.339   1.700   7.247
  332   1HG   GLN  40          1HG       GLN  40   9.313   3.826   8.092
  333   2HG   GLN  40          2HG       GLN  40   9.924   3.398   9.689
  334   1HE2  GLN  40          2HE2      GLN  40  12.042   2.224   7.445
  335   2HE2  GLN  40          1HE2      GLN  40  13.175   3.527   7.417
  336    H    GLN  41           H        GLN  41   8.247   0.550   5.979
  337    HA   GLN  41           HA       GLN  41   7.187   2.857   4.846
  338   1HB   GLN  41          1HB       GLN  41   6.744  -0.021   4.039
  339   2HB   GLN  41          2HB       GLN  41   6.396   1.374   3.028
  340   1HG   GLN  41          1HG       GLN  41   8.727   1.971   2.969
  341   2HG   GLN  41          2HG       GLN  41   9.120   0.676   4.101
  342   1HE2  GLN  41          2HE2      GLN  41  10.056  -0.961   3.148
  343   2HE2  GLN  41          1HE2      GLN  41   9.708  -1.565   1.568
  344    H    ARG  42           H        ARG  42   5.225   3.771   4.782
  345    HA   ARG  42           HA       ARG  42   3.128   2.572   6.362
  346   1HB   ARG  42          1HB       ARG  42   3.704   4.905   6.791
  347   2HB   ARG  42          2HB       ARG  42   3.322   5.313   5.127
  348   1HG   ARG  42          1HG       ARG  42   0.988   4.696   5.509
  349   2HG   ARG  42          2HG       ARG  42   1.373   4.297   7.184
  350   1HD   ARG  42          1HD       ARG  42   0.384   6.516   7.026
  351   2HD   ARG  42          2HD       ARG  42   2.052   6.608   7.584
  352    HE   ARG  42           HE       ARG  42   2.041   6.908   4.805
  353   1HH1  ARG  42          1HH1      ARG  42   0.976   8.605   7.655
  354   2HH1  ARG  42          2HH1      ARG  42   1.127  10.172   6.936
  355   1HH2  ARG  42          1HH2      ARG  42   2.242   8.967   3.849
  356   2HH2  ARG  42          2HH2      ARG  42   1.845  10.378   4.771
  357    H    LEU  43           H        LEU  43   1.403   1.560   5.533
  358    HA   LEU  43           HA       LEU  43   1.119   1.320   2.693
  359   1HB   LEU  43          1HB       LEU  43  -0.843   0.428   4.801
  360   2HB   LEU  43          2HB       LEU  43  -0.732  -0.145   3.152
  361    HG   LEU  43           HG       LEU  43   1.109  -0.731   5.450
  362   1HD1  LEU  43          1HD1      LEU  43   1.992  -0.236   2.860
  363   2HD1  LEU  43          2HD1      LEU  43   2.860  -1.090   4.135
  364   3HD1  LEU  43          3HD1      LEU  43   1.884  -1.993   2.976
  365   1HD2  LEU  43          1HD2      LEU  43  -1.081  -2.036   4.570
  366   2HD2  LEU  43          2HD2      LEU  43   0.169  -2.811   3.597
  367   3HD2  LEU  43          3HD2      LEU  43   0.287  -2.823   5.357
  368    H    ILE  44           H        ILE  44  -0.192   2.390   1.346
  369    HA   ILE  44           HA       ILE  44  -2.394   3.976   2.422
  370    HB   ILE  44           HB       ILE  44  -0.228   5.153   0.681
  371   1HG1  ILE  44          1HG1      ILE  44  -1.107   5.840   3.495
  372   2HG1  ILE  44          2HG1      ILE  44   0.354   4.950   3.077
  373   1HG2  ILE  44          1HG2      ILE  44  -2.643   5.835   0.208
  374   2HG2  ILE  44          2HG2      ILE  44  -2.606   6.613   1.790
  375   3HG2  ILE  44          3HG2      ILE  44  -1.486   7.127   0.529
  376   1HD1  ILE  44          1HD1      ILE  44   0.683   7.179   1.595
  377   2HD1  ILE  44          2HD1      ILE  44  -0.202   7.820   2.979
  378   3HD1  ILE  44          3HD1      ILE  44   1.316   6.957   3.226
  379    H    PHE  45           H        PHE  45  -4.140   3.956   1.142
  380    HA   PHE  45           HA       PHE  45  -3.827   3.072  -1.648
  381   1HB   PHE  45          1HB       PHE  45  -6.014   2.181   0.248
  382   2HB   PHE  45          2HB       PHE  45  -5.838   1.696  -1.436
  383    HD1  PHE  45           HD1      PHE  45  -4.045   1.603   1.825
  384    HD2  PHE  45           HD2      PHE  45  -4.706  -0.251  -1.947
  385    HE1  PHE  45           HE1      PHE  45  -2.673  -0.314   2.531
  386    HE2  PHE  45           HE2      PHE  45  -3.337  -2.173  -1.247
  387    HZ   PHE  45           HZ       PHE  45  -2.319  -2.205   0.995
  388    H    ALA  46           H        ALA  46  -5.225   4.020  -3.150
  389    HA   ALA  46           HA       ALA  46  -7.379   5.726  -2.239
  390   1HB   ALA  46          1HB       ALA  46  -6.438   7.740  -2.426
  391   2HB   ALA  46          2HB       ALA  46  -5.604   7.311  -3.918
  392   3HB   ALA  46          3HB       ALA  46  -4.895   6.890  -2.360
  393    H    GLY  47           H        GLY  47  -8.969   5.675  -3.667
  394   1HA   GLY  47          1HA       GLY  47 -10.125   5.075  -5.568
  395   2HA   GLY  47          2HA       GLY  47  -8.654   4.335  -6.174
  396    H    LYS  48           H        LYS  48  -8.578   5.120  -8.212
  397    HA   LYS  48           HA       LYS  48  -9.172   7.856  -8.841
  398   1HB   LYS  48          1HB       LYS  48  -6.906   8.084  -7.871
  399   2HB   LYS  48          2HB       LYS  48  -6.302   6.928  -9.049
  400   1HG   LYS  48          1HG       LYS  48  -5.766   9.180  -9.732
  401   2HG   LYS  48          2HG       LYS  48  -6.919   8.464 -10.859
  402   1HD   LYS  48          1HD       LYS  48  -8.746   9.653  -9.746
  403   2HD   LYS  48          2HD       LYS  48  -7.593  10.369  -8.616
  404   1HE   LYS  48          1HE       LYS  48  -7.626  10.765 -11.606
  405   2HE   LYS  48          2HE       LYS  48  -8.171  11.931 -10.402
  406   1HZ   LYS  48          1HZ       LYS  48  -5.397  10.896 -10.628
  407   2HZ   LYS  48          2HZ       LYS  48  -5.922  12.396 -11.206
  408   3HZ   LYS  48          3HZ       LYS  48  -5.938  12.075  -9.545
  409    H    GLN  49           H        GLN  49 -10.620   6.510 -10.043
  410    HA   GLN  49           HA       GLN  49  -9.648   4.946 -12.216
  411   1HB   GLN  49          1HB       GLN  49 -12.001   4.944 -12.949
  412   2HB   GLN  49          2HB       GLN  49 -11.848   4.542 -11.247
  413   1HG   GLN  49          1HG       GLN  49 -12.497   6.805 -10.636
  414   2HG   GLN  49          2HG       GLN  49 -12.639   7.228 -12.339
  415   1HE2  GLN  49          2HE2      GLN  49 -13.620   4.111 -12.114
  416   2HE2  GLN  49          1HE2      GLN  49 -15.318   4.352 -11.915
  417    H    LEU  50           H        LEU  50  -8.425   5.949 -13.679
  418    HA   LEU  50           HA       LEU  50  -8.310   8.603 -14.321
  419   1HB   LEU  50          1HB       LEU  50  -7.855   6.298 -16.214
  420   2HB   LEU  50          2HB       LEU  50  -7.313   7.942 -16.478
  421    HG   LEU  50           HG       LEU  50  -5.402   6.836 -15.734
  422   1HD1  LEU  50          1HD1      LEU  50  -5.995   8.929 -14.445
  423   2HD1  LEU  50          2HD1      LEU  50  -6.483   7.861 -13.129
  424   3HD1  LEU  50          3HD1      LEU  50  -4.814   7.853 -13.700
  425   1HD2  LEU  50          1HD2      LEU  50  -7.109   4.974 -14.703
  426   2HD2  LEU  50          2HD2      LEU  50  -5.355   4.978 -14.519
  427   3HD2  LEU  50          3HD2      LEU  50  -6.376   5.668 -13.258
  428    H    GLU  51           H        GLU  51 -10.511   9.331 -14.273
  429    HA   GLU  51           HA       GLU  51 -12.491   8.532 -16.093
  430   1HB   GLU  51          1HB       GLU  51 -12.941   9.887 -14.085
  431   2HB   GLU  51          2HB       GLU  51 -12.105  11.247 -14.819
  432   1HG   GLU  51          1HG       GLU  51 -13.773  11.308 -16.605
  433   2HG   GLU  51          2HG       GLU  51 -14.618   9.954 -15.855
  434    H1   GLY  -1           H1       GLY  -1  -3.897   0.763  16.041
  435    H2   GLY  -1           H2       GLY  -1  -5.159   1.306  17.029
  436    H3   GLY  -1           H3       GLY  -1  -4.300  -0.093  17.443
  437   1HA   GLY  -1          1HA       GLY  -1  -6.234   0.290  15.240
  438   2HA   GLY  -1          2HA       GLY  -1  -6.311  -0.867  16.557
  439    H    SER   0           H        SER   0  -3.746  -1.899  16.508
  440    HA   SER   0           HA       SER   0  -2.436  -3.453  15.494
  441   1HB   SER   0          1HB       SER   0  -4.970  -3.950  13.913
  442   2HB   SER   0          2HB       SER   0  -3.584  -5.040  13.977
  443    HG   SER   0           HG       SER   0  -4.144  -4.598  16.456
  444    H    MET   1           H        MET   1  -3.040  -4.215  12.557
  445    HA   MET   1           HA       MET   1  -1.190  -2.309  11.437
  446   1HB   MET   1          1HB       MET   1  -1.014  -4.729  10.968
  447   2HB   MET   1          2HB       MET   1  -2.562  -4.669  10.142
  448   1HG   MET   1          1HG       MET   1  -0.706  -4.664   8.572
  449   2HG   MET   1          2HG       MET   1  -1.641  -3.174   8.471
  450   1HE   MET   1          1HE       MET   1   1.023  -3.356   7.094
  451   2HE   MET   1          2HE       MET   1   0.289  -1.757   7.226
  452   3HE   MET   1          3HE       MET   1   1.987  -1.987   7.649
  453    H    GLN   2           H        GLN   2  -3.402  -0.888  12.073
  454    HA   GLN   2           HA       GLN   2  -5.384  -0.715  10.098
  455   1HB   GLN   2          1HB       GLN   2  -5.838   1.534  11.020
  456   2HB   GLN   2          2HB       GLN   2  -5.697   0.309  12.271
  457   1HG   GLN   2          1HG       GLN   2  -3.419   1.049  12.743
  458   2HG   GLN   2          2HG       GLN   2  -3.558   2.276  11.487
  459   1HE2  GLN   2          2HE2      GLN   2  -3.945   4.218  12.239
  460   2HE2  GLN   2          1HE2      GLN   2  -4.851   4.607  13.656
  461    H    ILE   3           H        ILE   3  -5.048  -0.343   8.031
  462    HA   ILE   3           HA       ILE   3  -2.782   1.186   7.097
  463    HB   ILE   3           HB       ILE   3  -3.629   0.604   4.833
  464   1HG1  ILE   3          1HG1      ILE   3  -5.726  -0.949   6.361
  465   2HG1  ILE   3          2HG1      ILE   3  -6.026   0.495   5.401
  466   1HG2  ILE   3          1HG2      ILE   3  -2.218  -0.915   6.501
  467   2HG2  ILE   3          2HG2      ILE   3  -3.607  -1.980   6.274
  468   3HG2  ILE   3          3HG2      ILE   3  -2.668  -1.447   4.880
  469   1HD1  ILE   3          1HD1      ILE   3  -4.656  -1.470   3.826
  470   2HD1  ILE   3          2HD1      ILE   3  -6.107  -2.159   4.554
  471   3HD1  ILE   3          3HD1      ILE   3  -6.224  -0.708   3.559
  472    H    PHE   4           H        PHE   4  -2.857   3.138   6.041
  473    HA   PHE   4           HA       PHE   4  -5.252   4.724   6.492
  474   1HB   PHE   4          1HB       PHE   4  -2.501   5.476   5.475
  475   2HB   PHE   4          2HB       PHE   4  -3.818   6.620   5.693
  476    HD1  PHE   4           HD1      PHE   4  -2.414   3.861   7.794
  477    HD2  PHE   4           HD2      PHE   4  -3.448   7.978   7.489
  478    HE1  PHE   4           HE1      PHE   4  -1.743   4.199  10.136
  479    HE2  PHE   4           HE2      PHE   4  -2.777   8.323   9.831
  480    HZ   PHE   4           HZ       PHE   4  -1.923   6.433  11.157
  481    H    VAL   5           H        VAL   5  -6.713   5.144   4.955
  482    HA   VAL   5           HA       VAL   5  -5.923   4.996   2.141
  483    HB   VAL   5           HB       VAL   5  -8.268   3.471   3.282
  484   1HG1  VAL   5          1HG1      VAL   5  -7.811   4.514   0.666
  485   2HG1  VAL   5          2HG1      VAL   5  -7.752   2.753   0.606
  486   3HG1  VAL   5          3HG1      VAL   5  -9.174   3.565   1.260
  487   1HG2  VAL   5          1HG2      VAL   5  -5.692   2.515   2.043
  488   2HG2  VAL   5          2HG2      VAL   5  -6.187   2.330   3.726
  489   3HG2  VAL   5          3HG2      VAL   5  -7.063   1.483   2.452
  490    H    LYS   6           H        LYS   6  -6.993   6.352   0.823
  491    HA   LYS   6           HA       LYS   6  -8.918   8.177   2.073
  492   1HB   LYS   6          1HB       LYS   6  -7.250   8.523  -0.427
  493   2HB   LYS   6          2HB       LYS   6  -8.349   9.724   0.235
  494   1HG   LYS   6          1HG       LYS   6  -6.988   9.862   2.258
  495   2HG   LYS   6          2HG       LYS   6  -5.885   8.654   1.595
  496   1HD   LYS   6          1HD       LYS   6  -5.364  10.152  -0.269
  497   2HD   LYS   6          2HD       LYS   6  -6.471  11.359   0.390
  498   1HE   LYS   6          1HE       LYS   6  -3.989  10.308   1.742
  499   2HE   LYS   6          2HE       LYS   6  -4.149  11.874   0.952
  500   1HZ   LYS   6          1HZ       LYS   6  -5.949  12.376   2.569
  501   2HZ   LYS   6          2HZ       LYS   6  -5.567  10.946   3.386
  502   3HZ   LYS   6          3HZ       LYS   6  -4.424  12.188   3.276
  503    H    THR   7           H        THR   7 -10.976   8.282   1.379
  504    HA   THR   7           HA       THR   7 -11.985   6.306  -0.384
  505    HB   THR   7           HB       THR   7 -14.155   7.440  -0.135
  506    HG1  THR   7           HG1      THR   7 -14.129   9.512   0.256
  507   1HG2  THR   7          1HG2      THR   7 -12.531   7.117   2.386
  508   2HG2  THR   7          2HG2      THR   7 -14.279   7.348   2.374
  509   3HG2  THR   7          3HG2      THR   7 -13.572   5.921   1.616
  510    H    LEU   8           H        LEU   8 -13.964   7.889  -1.780
  511    HA   LEU   8           HA       LEU   8 -12.583   8.338  -4.185
  512   1HB   LEU   8          1HB       LEU   8 -15.280   9.452  -3.415
  513   2HB   LEU   8          2HB       LEU   8 -14.663   9.239  -5.041
  514    HG   LEU   8           HG       LEU   8 -15.507   7.098  -3.094
  515   1HD1  LEU   8          1HD1      LEU   8 -16.778   8.484  -5.227
  516   2HD1  LEU   8          2HD1      LEU   8 -16.575   6.794  -5.687
  517   3HD1  LEU   8          3HD1      LEU   8 -17.422   7.206  -4.196
  518   1HD2  LEU   8          1HD2      LEU   8 -13.453   6.920  -5.043
  519   2HD2  LEU   8          2HD2      LEU   8 -14.136   5.643  -4.035
  520   3HD2  LEU   8          3HD2      LEU   8 -14.843   5.998  -5.612
  521    H    THR   9           H        THR   9 -13.961  10.653  -1.853
  522    HA   THR   9           HA       THR   9 -12.882  12.924  -3.228
  523    HB   THR   9           HB       THR   9 -14.903  13.222  -1.941
  524    HG1  THR   9           HG1      THR   9 -14.301  15.111  -1.022
  525   1HG2  THR   9          1HG2      THR   9 -14.191  11.436  -0.220
  526   2HG2  THR   9          2HG2      THR   9 -13.391  12.770   0.612
  527   3HG2  THR   9          3HG2      THR   9 -15.135  12.813   0.347
  528    H    GLY  10           H        GLY  10 -12.039  11.151  -0.267
  529   1HA   GLY  10          1HA       GLY  10  -9.579  12.734  -0.039
  530   2HA   GLY  10          2HA       GLY  10  -9.436  10.998  -0.248
  531    H    LYS  11           H        LYS  11 -11.766  10.361   1.362
  532    HA   LYS  11           HA       LYS  11 -11.258  11.434   3.995
  533   1HB   LYS  11          1HB       LYS  11 -13.545  10.893   3.315
  534   2HB   LYS  11          2HB       LYS  11 -13.092   9.209   3.086
  535   1HG   LYS  11          1HG       LYS  11 -12.549   9.074   5.498
  536   2HG   LYS  11          2HG       LYS  11 -13.142  10.723   5.687
  537   1HD   LYS  11          1HD       LYS  11 -15.343  10.011   4.857
  538   2HD   LYS  11          2HD       LYS  11 -14.741   8.357   4.718
  539   1HE   LYS  11          1HE       LYS  11 -16.021   8.664   6.775
  540   2HE   LYS  11          2HE       LYS  11 -14.333   8.288   7.118
  541   1HZ   LYS  11          1HZ       LYS  11 -15.287  11.081   7.019
  542   2HZ   LYS  11          2HZ       LYS  11 -15.430  10.158   8.430
  543   3HZ   LYS  11          3HZ       LYS  11 -13.903  10.463   7.768
  544    H    THR  12           H        THR  12  -9.957  10.603   5.501
  545    HA   THR  12           HA       THR  12  -8.306   8.344   4.910
  546    HB   THR  12           HB       THR  12  -8.613   9.880   7.500
  547    HG1  THR  12           HG1      THR  12  -6.340  10.471   6.433
  548   1HG2  THR  12          1HG2      THR  12  -7.630   7.615   7.769
  549   2HG2  THR  12          2HG2      THR  12  -6.375   8.057   6.611
  550   3HG2  THR  12          3HG2      THR  12  -6.497   8.912   8.150
  551    H    ILE  13           H        ILE  13  -8.465   6.261   5.612
  552    HA   ILE  13           HA       ILE  13 -10.539   5.624   7.592
  553    HB   ILE  13           HB       ILE  13 -11.557   3.946   6.316
  554   1HG1  ILE  13          1HG1      ILE  13  -9.239   4.181   4.390
  555   2HG1  ILE  13          2HG1      ILE  13  -9.573   2.832   5.468
  556   1HG2  ILE  13          1HG2      ILE  13 -11.438   6.536   5.314
  557   2HG2  ILE  13          2HG2      ILE  13 -11.248   5.497   3.903
  558   3HG2  ILE  13          3HG2      ILE  13 -12.656   5.314   4.949
  559   1HD1  ILE  13          1HD1      ILE  13 -11.855   3.264   3.832
  560   2HD1  ILE  13          2HD1      ILE  13 -10.417   3.203   2.809
  561   3HD1  ILE  13          3HD1      ILE  13 -10.782   1.865   3.901
  562    H    THR  14           H        THR  14  -9.972   4.081   9.025
  563    HA   THR  14           HA       THR  14  -7.301   2.928   8.760
  564    HB   THR  14           HB       THR  14  -7.942   2.097  11.179
  565    HG1  THR  14           HG1      THR  14  -9.258   4.001  12.049
  566   1HG2  THR  14          1HG2      THR  14  -6.560   4.314  10.113
  567   2HG2  THR  14          2HG2      THR  14  -7.465   4.895  11.511
  568   3HG2  THR  14          3HG2      THR  14  -6.341   3.547  11.687
  569    H    LEU  15           H        LEU  15  -6.873   0.749   8.832
  570    HA   LEU  15           HA       LEU  15  -9.004  -1.170   9.131
  571   1HB   LEU  15          1HB       LEU  15  -9.484  -0.802   6.894
  572   2HB   LEU  15          2HB       LEU  15  -7.814  -0.480   6.480
  573    HG   LEU  15           HG       LEU  15  -7.284  -2.844   6.594
  574   1HD1  LEU  15          1HD1      LEU  15  -9.670  -2.095   4.937
  575   2HD1  LEU  15          2HD1      LEU  15  -7.972  -2.152   4.458
  576   3HD1  LEU  15          3HD1      LEU  15  -8.853  -3.649   4.775
  577   1HD2  LEU  15          1HD2      LEU  15  -9.487  -3.029   8.252
  578   2HD2  LEU  15          2HD2      LEU  15  -9.970  -3.877   6.783
  579   3HD2  LEU  15          3HD2      LEU  15  -8.508  -4.361   7.641
  580    H    GLU  16           H        GLU  16  -8.084  -2.590  10.431
  581    HA   GLU  16           HA       GLU  16  -5.236  -3.093  10.324
  582   1HB   GLU  16          1HB       GLU  16  -5.650  -4.466  12.335
  583   2HB   GLU  16          2HB       GLU  16  -6.263  -2.826  12.498
  584   1HG   GLU  16          1HG       GLU  16  -8.520  -3.618  12.019
  585   2HG   GLU  16          2HG       GLU  16  -7.909  -5.261  11.851
  586    H    VAL  17           H        VAL  17  -4.294  -4.770   9.393
  587    HA   VAL  17           HA       VAL  17  -5.654  -7.280   8.959
  588    HB   VAL  17           HB       VAL  17  -5.091  -7.260   6.481
  589   1HG1  VAL  17          1HG1      VAL  17  -7.392  -7.105   7.320
  590   2HG1  VAL  17          2HG1      VAL  17  -7.235  -5.350   7.407
  591   3HG1  VAL  17          3HG1      VAL  17  -7.168  -6.165   5.844
  592   1HG2  VAL  17          1HG2      VAL  17  -4.215  -4.614   7.220
  593   2HG2  VAL  17          2HG2      VAL  17  -3.943  -5.515   5.728
  594   3HG2  VAL  17          3HG2      VAL  17  -5.409  -4.554   5.922
  595    H    GLU  18           H        GLU  18  -4.239  -8.971   8.628
  596    HA   GLU  18           HA       GLU  18  -1.645  -8.734   9.594
  597   1HB   GLU  18          1HB       GLU  18  -2.710 -10.892   7.767
  598   2HB   GLU  18          2HB       GLU  18  -1.316 -11.022   8.828
  599   1HG   GLU  18          1HG       GLU  18  -2.767 -10.747  10.771
  600   2HG   GLU  18          2HG       GLU  18  -4.164 -10.616   9.705
  601    HA   PRO  19           HA       PRO  19   0.680  -7.005   6.238
  602   1HB   PRO  19          1HB       PRO  19   3.103  -8.159   6.855
  603   2HB   PRO  19          2HB       PRO  19   2.469  -6.707   7.623
  604   1HG   PRO  19          1HG       PRO  19   2.400  -9.537   8.571
  605   2HG   PRO  19          2HG       PRO  19   2.744  -8.061   9.487
  606   1HD   PRO  19          1HD       PRO  19   0.353  -9.240   9.635
  607   2HD   PRO  19          2HD       PRO  19   0.502  -7.472   9.609
  608    H    SER  20           H        SER  20   1.083 -10.440   7.004
  609    HA   SER  20           HA       SER  20   2.193 -11.214   4.536
  610   1HB   SER  20          1HB       SER  20   0.575 -12.858   6.498
  611   2HB   SER  20          2HB       SER  20   1.587 -13.503   5.209
  612    HG   SER  20           HG       SER  20   2.471 -13.269   7.476
  613    H    ASP  21           H        ASP  21  -1.049 -10.517   5.509
  614    HA   ASP  21           HA       ASP  21  -2.551 -11.990   3.702
  615   1HB   ASP  21          1HB       ASP  21  -3.490 -10.581   5.528
  616   2HB   ASP  21          2HB       ASP  21  -3.092  -9.146   4.588
  617    H    THR  22           H        THR  22  -2.963 -11.876   1.569
  618    HA   THR  22           HA       THR  22  -1.243 -10.578  -0.185
  619    HB   THR  22           HB       THR  22  -2.879 -11.116  -1.965
  620    HG1  THR  22           HG1      THR  22  -4.532 -12.376  -0.079
  621   1HG2  THR  22          1HG2      THR  22  -1.282 -12.805  -0.946
  622   2HG2  THR  22          2HG2      THR  22  -2.667 -13.425  -0.048
  623   3HG2  THR  22          3HG2      THR  22  -2.671 -13.464  -1.812
  624    H    ILE  23           H        ILE  23  -1.358  -8.741  -1.419
  625    HA   ILE  23           HA       ILE  23  -2.581  -6.469  -0.339
  626    HB   ILE  23           HB       ILE  23  -1.645  -6.878  -3.185
  627   1HG1  ILE  23          1HG1      ILE  23  -0.190  -5.746  -0.784
  628   2HG1  ILE  23          2HG1      ILE  23   0.111  -7.319  -1.510
  629   1HG2  ILE  23          1HG2      ILE  23  -2.951  -4.674  -1.909
  630   2HG2  ILE  23          2HG2      ILE  23  -1.310  -4.211  -2.361
  631   3HG2  ILE  23          3HG2      ILE  23  -2.418  -4.836  -3.583
  632   1HD1  ILE  23          1HD1      ILE  23   0.283  -5.199  -3.464
  633   2HD1  ILE  23          2HD1      ILE  23   1.389  -4.947  -2.111
  634   3HD1  ILE  23          3HD1      ILE  23   1.456  -6.447  -3.038
  635    H    GLU  24           H        GLU  24  -3.574  -8.628  -2.941
  636    HA   GLU  24           HA       GLU  24  -5.755  -7.192  -3.911
  637   1HB   GLU  24          1HB       GLU  24  -4.914  -9.042  -5.152
  638   2HB   GLU  24          2HB       GLU  24  -5.148 -10.143  -3.804
  639   1HG   GLU  24          1HG       GLU  24  -6.823 -10.552  -5.445
  640   2HG   GLU  24          2HG       GLU  24  -7.576  -9.839  -4.021
  641    H    ASN  25           H        ASN  25  -5.566  -9.609  -1.319
  642    HA   ASN  25           HA       ASN  25  -8.329  -9.666  -0.743
  643   1HB   ASN  25          1HB       ASN  25  -6.763 -11.424  -0.016
  644   2HB   ASN  25          2HB       ASN  25  -5.994 -10.282   1.080
  645   1HD2  ASN  25          2HD2      ASN  25  -8.095 -12.754   0.943
  646   2HD2  ASN  25          1HD2      ASN  25  -9.058 -12.414   2.336
  647    H    VAL  26           H        VAL  26  -5.649  -7.806   0.646
  648    HA   VAL  26           HA       VAL  26  -7.059  -6.542   2.700
  649    HB   VAL  26           HB       VAL  26  -4.720  -5.473   1.110
  650   1HG1  VAL  26          1HG1      VAL  26  -4.897  -7.661   2.866
  651   2HG1  VAL  26          2HG1      VAL  26  -3.441  -6.919   2.201
  652   3HG1  VAL  26          3HG1      VAL  26  -4.084  -6.369   3.747
  653   1HG2  VAL  26          1HG2      VAL  26  -6.272  -4.021   2.784
  654   2HG2  VAL  26          2HG2      VAL  26  -5.085  -4.674   3.910
  655   3HG2  VAL  26          3HG2      VAL  26  -4.553  -3.730   2.518
  656    H    LYS  27           H        LYS  27  -6.439  -5.440  -0.629
  657    HA   LYS  27           HA       LYS  27  -7.854  -3.009  -0.392
  658   1HB   LYS  27          1HB       LYS  27  -7.317  -4.634  -2.885
  659   2HB   LYS  27          2HB       LYS  27  -7.784  -2.941  -2.838
  660   1HG   LYS  27          1HG       LYS  27  -5.692  -2.441  -1.614
  661   2HG   LYS  27          2HG       LYS  27  -5.218  -4.129  -1.807
  662   1HD   LYS  27          1HD       LYS  27  -5.740  -2.157  -4.029
  663   2HD   LYS  27          2HD       LYS  27  -4.162  -2.747  -3.506
  664   1HE   LYS  27          1HE       LYS  27  -4.835  -5.033  -4.129
  665   2HE   LYS  27          2HE       LYS  27  -6.380  -4.403  -4.701
  666   1HZ   LYS  27          1HZ       LYS  27  -4.754  -2.868  -6.084
  667   2HZ   LYS  27          2HZ       LYS  27  -3.734  -4.205  -5.910
  668   3HZ   LYS  27          3HZ       LYS  27  -5.247  -4.387  -6.642
  669    H    ALA  28           H        ALA  28  -8.818  -6.264  -1.279
  670    HA   ALA  28           HA       ALA  28 -11.320  -5.797  -2.377
  671   1HB   ALA  28          1HB       ALA  28 -11.880  -8.091  -1.390
  672   2HB   ALA  28          2HB       ALA  28 -10.516  -7.991  -2.505
  673   3HB   ALA  28          3HB       ALA  28 -10.230  -8.083  -0.767
  674    H    LYS  29           H        LYS  29 -10.317  -5.816   0.985
  675    HA   LYS  29           HA       LYS  29 -12.963  -5.743   2.061
  676   1HB   LYS  29          1HB       LYS  29 -11.055  -6.601   3.354
  677   2HB   LYS  29          2HB       LYS  29 -10.309  -5.009   3.321
  678   1HG   LYS  29          1HG       LYS  29 -12.072  -4.094   4.667
  679   2HG   LYS  29          2HG       LYS  29 -12.968  -5.614   4.595
  680   1HD   LYS  29          1HD       LYS  29 -11.132  -6.736   5.779
  681   2HD   LYS  29          2HD       LYS  29 -10.267  -5.203   5.874
  682   1HE   LYS  29          1HE       LYS  29 -12.116  -4.253   7.175
  683   2HE   LYS  29          2HE       LYS  29 -12.958  -5.798   7.097
  684   1HZ   LYS  29          1HZ       LYS  29 -10.282  -6.050   8.084
  685   2HZ   LYS  29          2HZ       LYS  29 -11.224  -5.025   9.044
  686   3HZ   LYS  29          3HZ       LYS  29 -11.734  -6.611   8.749
  687    H    ILE  30           H        ILE  30 -10.602  -3.386   1.027
  688    HA   ILE  30           HA       ILE  30 -11.605  -1.101   2.252
  689    HB   ILE  30           HB       ILE  30 -10.281  -1.360  -0.444
  690   1HG1  ILE  30          1HG1      ILE  30  -8.940  -2.140   1.488
  691   2HG1  ILE  30          2HG1      ILE  30  -8.250  -0.711   0.730
  692   1HG2  ILE  30          1HG2      ILE  30 -11.646   0.748  -0.047
  693   2HG2  ILE  30          2HG2      ILE  30 -10.463   1.148   1.198
  694   3HG2  ILE  30          3HG2      ILE  30  -9.951   0.967  -0.480
  695   1HD1  ILE  30          1HD1      ILE  30 -10.049  -0.437   3.095
  696   2HD1  ILE  30          2HD1      ILE  30  -8.348  -0.860   3.299
  697   3HD1  ILE  30          3HD1      ILE  30  -8.792   0.653   2.510
  698    H    GLN  31           H        GLN  31 -12.569  -2.590  -0.851
  699    HA   GLN  31           HA       GLN  31 -14.429  -0.560  -1.515
  700   1HB   GLN  31          1HB       GLN  31 -15.281  -2.043  -3.187
  701   2HB   GLN  31          2HB       GLN  31 -13.540  -2.258  -3.135
  702   1HG   GLN  31          1HG       GLN  31 -13.812  -4.292  -1.843
  703   2HG   GLN  31          2HG       GLN  31 -15.561  -4.066  -1.841
  704   1HE2  GLN  31          2HE2      GLN  31 -13.147  -5.729  -3.262
  705   2HE2  GLN  31          1HE2      GLN  31 -13.878  -6.077  -4.786
  706    H    ASP  32           H        ASP  32 -14.610  -3.555   0.314
  707    HA   ASP  32           HA       ASP  32 -17.393  -3.568   0.733
  708   1HB   ASP  32          1HB       ASP  32 -16.002  -5.527   1.243
  709   2HB   ASP  32          2HB       ASP  32 -15.173  -4.620   2.505
  710    H    LYS  33           H        LYS  33 -14.715  -1.917   2.144
  711    HA   LYS  33           HA       LYS  33 -16.092  -0.829   4.397
  712   1HB   LYS  33          1HB       LYS  33 -13.445  -0.219   3.085
  713   2HB   LYS  33          2HB       LYS  33 -14.028   0.661   4.493
  714   1HG   LYS  33          1HG       LYS  33 -13.543  -2.309   4.361
  715   2HG   LYS  33          2HG       LYS  33 -12.460  -1.121   5.087
  716   1HD   LYS  33          1HD       LYS  33 -15.294  -1.671   5.968
  717   2HD   LYS  33          2HD       LYS  33 -13.840  -2.273   6.768
  718   1HE   LYS  33          1HE       LYS  33 -13.128   0.026   7.205
  719   2HE   LYS  33          2HE       LYS  33 -14.578   0.629   6.403
  720   1HZ   LYS  33          1HZ       LYS  33 -15.621  -1.036   8.220
  721   2HZ   LYS  33          2HZ       LYS  33 -14.260  -0.476   9.056
  722   3HZ   LYS  33          3HZ       LYS  33 -15.404   0.623   8.471
  723    H    GLU  34           H        GLU  34 -15.519   0.148   1.088
  724    HA   GLU  34           HA       GLU  34 -17.302   2.433   1.511
  725   1HB   GLU  34          1HB       GLU  34 -14.999   3.309   1.578
  726   2HB   GLU  34          2HB       GLU  34 -14.688   2.596   0.000
  727   1HG   GLU  34          1HG       GLU  34 -15.104   4.939  -0.256
  728   2HG   GLU  34          2HG       GLU  34 -16.437   4.031  -0.967
  729    H    GLY  35           H        GLY  35 -15.401   0.966  -1.155
  730   1HA   GLY  35          1HA       GLY  35 -17.662   1.301  -2.942
  731   2HA   GLY  35          2HA       GLY  35 -17.285  -0.363  -2.539
  732    H    ILE  36           H        ILE  36 -14.884   2.155  -2.896
  733    HA   ILE  36           HA       ILE  36 -14.224   2.034  -5.536
  734    HB   ILE  36           HB       ILE  36 -11.760   1.995  -4.085
  735   1HG1  ILE  36          1HG1      ILE  36 -12.286   4.044  -2.658
  736   2HG1  ILE  36          2HG1      ILE  36 -13.982   3.612  -2.842
  737   1HG2  ILE  36          1HG2      ILE  36 -13.356   4.013  -5.604
  738   2HG2  ILE  36          2HG2      ILE  36 -11.838   4.447  -4.817
  739   3HG2  ILE  36          3HG2      ILE  36 -11.860   3.192  -6.060
  740   1HD1  ILE  36          1HD1      ILE  36 -12.345   1.376  -1.983
  741   2HD1  ILE  36          2HD1      ILE  36 -12.295   2.739  -0.866
  742   3HD1  ILE  36          3HD1      ILE  36 -13.842   2.015  -1.303
  743    HA   PRO  37           HA       PRO  37 -13.137  -2.204  -6.406
  744   1HB   PRO  37          1HB       PRO  37 -11.439  -1.374  -8.519
  745   2HB   PRO  37          2HB       PRO  37 -13.096  -1.957  -8.657
  746   1HG   PRO  37          1HG       PRO  37 -12.051   0.806  -8.686
  747   2HG   PRO  37          2HG       PRO  37 -13.526   0.150  -9.416
  748   1HD   PRO  37          1HD       PRO  37 -13.565   1.717  -7.218
  749   2HD   PRO  37          2HD       PRO  37 -14.754   0.426  -7.488
  750    HA   PRO  38           HA       PRO  38  -9.339  -2.514  -4.103
  751   1HB   PRO  38          1HB       PRO  38  -8.993  -4.994  -5.714
  752   2HB   PRO  38          2HB       PRO  38  -8.920  -4.770  -3.964
  753   1HG   PRO  38          1HG       PRO  38 -11.045  -5.902  -5.100
  754   2HG   PRO  38          2HG       PRO  38 -11.228  -4.788  -3.734
  755   1HD   PRO  38          1HD       PRO  38 -11.737  -4.328  -6.639
  756   2HD   PRO  38          2HD       PRO  38 -12.612  -3.705  -5.227
  757    H    ASP  39           H        ASP  39  -9.330  -3.259  -7.571
  758    HA   ASP  39           HA       ASP  39  -6.548  -2.905  -7.933
  759   1HB   ASP  39          1HB       ASP  39  -8.792  -2.733  -9.953
  760   2HB   ASP  39          2HB       ASP  39  -7.078  -2.861 -10.341
  761    H    GLN  40           H        GLN  40  -9.298  -0.704  -8.142
  762    HA   GLN  40           HA       GLN  40  -8.006   1.412  -9.434
  763   1HB   GLN  40          1HB       GLN  40 -10.477   1.215  -9.014
  764   2HB   GLN  40          2HB       GLN  40 -10.173   1.689  -7.350
  765   1HG   GLN  40          1HG       GLN  40  -9.167   3.794  -8.190
  766   2HG   GLN  40          2HG       GLN  40  -9.640   3.318  -9.818
  767   1HE2  GLN  40          2HE2      GLN  40 -11.962   2.174  -7.807
  768   2HE2  GLN  40          1HE2      GLN  40 -13.086   3.481  -7.888
  769    H    GLN  41           H        GLN  41  -8.104   0.489  -6.044
  770    HA   GLN  41           HA       GLN  41  -7.058   2.796  -4.889
  771   1HB   GLN  41          1HB       GLN  41  -6.667  -0.084  -4.070
  772   2HB   GLN  41          2HB       GLN  41  -6.316   1.307  -3.055
  773   1HG   GLN  41          1HG       GLN  41  -8.622   1.931  -2.997
  774   2HG   GLN  41          2HG       GLN  41  -9.033   0.699  -4.190
  775   1HE2  GLN  41          2HE2      GLN  41 -10.074  -0.910  -3.308
  776   2HE2  GLN  41          1HE2      GLN  41  -9.764  -1.606  -1.758
  777    H    ARG  42           H        ARG  42  -5.094   3.695  -4.783
  778    HA   ARG  42           HA       ARG  42  -2.967   2.476  -6.313
  779   1HB   ARG  42          1HB       ARG  42  -3.513   4.815  -6.750
  780   2HB   ARG  42          2HB       ARG  42  -3.167   5.218  -5.076
  781   1HG   ARG  42          1HG       ARG  42  -0.830   4.582  -5.402
  782   2HG   ARG  42          2HG       ARG  42  -1.179   4.180  -7.086
  783   1HD   ARG  42          1HD       ARG  42  -0.174   6.392  -6.909
  784   2HD   ARG  42          2HD       ARG  42  -1.828   6.497  -7.507
  785    HE   ARG  42           HE       ARG  42  -1.877   6.804  -4.728
  786   1HH1  ARG  42          1HH1      ARG  42  -0.735   8.484  -7.560
  787   2HH1  ARG  42          2HH1      ARG  42  -0.890  10.056  -6.848
  788   1HH2  ARG  42          1HH2      ARG  42  -2.084   8.868  -3.784
  789   2HH2  ARG  42          2HH2      ARG  42  -1.657  10.274  -4.701
  790    H    LEU  43           H        LEU  43  -1.245   1.503  -5.465
  791    HA   LEU  43           HA       LEU  43  -1.005   1.218  -2.621
  792   1HB   LEU  43          1HB       LEU  43   0.408   0.128  -5.004
  793   2HB   LEU  43          2HB       LEU  43   1.237   0.072  -3.463
  794    HG   LEU  43           HG       LEU  43  -0.493  -1.295  -2.506
  795   1HD1  LEU  43          1HD1      LEU  43  -2.369  -0.185  -3.746
  796   2HD1  LEU  43          2HD1      LEU  43  -1.951  -1.188  -5.135
  797   3HD1  LEU  43          3HD1      LEU  43  -2.483  -1.942  -3.632
  798   1HD2  LEU  43          1HD2      LEU  43   1.266  -2.160  -4.322
  799   2HD2  LEU  43          2HD2      LEU  43   0.138  -3.226  -3.483
  800   3HD2  LEU  43          3HD2      LEU  43  -0.233  -2.653  -5.109
  801    H    ILE  44           H        ILE  44   0.260   2.297  -1.250
  802    HA   ILE  44           HA       ILE  44   2.504   3.864  -2.269
  803    HB   ILE  44           HB       ILE  44   0.303   5.058  -0.585
  804   1HG1  ILE  44          1HG1      ILE  44   1.256   5.724  -3.379
  805   2HG1  ILE  44          2HG1      ILE  44  -0.230   4.865  -2.987
  806   1HG2  ILE  44          1HG2      ILE  44   2.710   5.720  -0.050
  807   2HG2  ILE  44          2HG2      ILE  44   2.719   6.500  -1.631
  808   3HG2  ILE  44          3HG2      ILE  44   1.571   7.022  -0.399
  809   1HD1  ILE  44          1HD1      ILE  44  -0.554   7.104  -1.526
  810   2HD1  ILE  44          2HD1      ILE  44   0.383   7.726  -2.885
  811   3HD1  ILE  44          3HD1      ILE  44  -1.145   6.893  -3.175
  812    H    PHE  45           H        PHE  45   4.212   3.867  -0.937
  813    HA   PHE  45           HA       PHE  45   3.834   2.960   1.837
  814   1HB   PHE  45          1HB       PHE  45   6.085   2.104   0.002
  815   2HB   PHE  45          2HB       PHE  45   5.841   1.585   1.666
  816    HD1  PHE  45           HD1      PHE  45   4.127   1.576  -1.644
  817    HD2  PHE  45           HD2      PHE  45   4.747  -0.402   2.072
  818    HE1  PHE  45           HE1      PHE  45   2.791  -0.329  -2.441
  819    HE2  PHE  45           HE2      PHE  45   3.412  -2.311   1.280
  820    HZ   PHE  45           HZ       PHE  45   2.433  -2.277  -0.978
  821    H    ALA  46           H        ALA  46   5.141   3.965   3.388
  822    HA   ALA  46           HA       ALA  46   7.311   5.681   2.497
  823   1HB   ALA  46          1HB       ALA  46   6.347   7.683   2.685
  824   2HB   ALA  46          2HB       ALA  46   5.493   7.236   4.163
  825   3HB   ALA  46          3HB       ALA  46   4.817   6.811   2.590
  826    H    GLY  47           H        GLY  47   8.902   5.517   3.900
  827   1HA   GLY  47          1HA       GLY  47  10.052   4.968   5.815
  828   2HA   GLY  47          2HA       GLY  47   8.576   4.240   6.426
  829    H    LYS  48           H        LYS  48   8.457   5.047   8.449
  830    HA   LYS  48           HA       LYS  48   9.092   7.780   9.055
  831   1HB   LYS  48          1HB       LYS  48   6.853   8.055   8.058
  832   2HB   LYS  48          2HB       LYS  48   6.204   6.889   9.203
  833   1HG   LYS  48          1HG       LYS  48   5.669   9.132   9.907
  834   2HG   LYS  48          2HG       LYS  48   6.793   8.396  11.051
  835   1HD   LYS  48          1HD       LYS  48   8.650   9.591   9.995
  836   2HD   LYS  48          2HD       LYS  48   7.526  10.329   8.852
  837   1HE   LYS  48          1HE       LYS  48   7.492  10.678  11.846
  838   2HE   LYS  48          2HE       LYS  48   8.069  11.860  10.675
  839   1HZ   LYS  48          1HZ       LYS  48   5.286  10.836  10.838
  840   2HZ   LYS  48          2HZ       LYS  48   5.809  12.334  11.422
  841   3HZ   LYS  48          3HZ       LYS  48   5.851  12.011   9.762
  842    H    GLN  49           H        GLN  49  10.497   6.415  10.311
  843    HA   GLN  49           HA       GLN  49   9.477   4.849  12.445
  844   1HB   GLN  49          1HB       GLN  49  11.785   4.880  13.277
  845   2HB   GLN  49          2HB       GLN  49  11.730   4.525  11.559
  846   1HG   GLN  49          1HG       GLN  49  12.341   6.831  11.055
  847   2HG   GLN  49          2HG       GLN  49  12.402   7.190  12.777
  848   1HE2  GLN  49          2HE2      GLN  49  13.461   4.107  12.489
  849   2HE2  GLN  49          1HE2      GLN  49  15.159   4.388  12.367
  850    H    LEU  50           H        LEU  50   8.389   5.628  14.096
  851    HA   LEU  50           HA       LEU  50   8.043   8.306  14.719
  852   1HB   LEU  50          1HB       LEU  50   7.678   5.834  16.399
  853   2HB   LEU  50          2HB       LEU  50   7.230   7.431  16.963
  854    HG   LEU  50           HG       LEU  50   5.301   6.163  16.110
  855   1HD1  LEU  50          1HD1      LEU  50   6.933   5.202  14.197
  856   2HD1  LEU  50          2HD1      LEU  50   5.172   5.203  14.082
  857   3HD1  LEU  50          3HD1      LEU  50   6.108   6.477  13.301
  858   1HD2  LEU  50          1HD2      LEU  50   5.975   8.789  15.570
  859   2HD2  LEU  50          2HD2      LEU  50   5.369   8.166  14.037
  860   3HD2  LEU  50          3HD2      LEU  50   4.368   8.070  15.485
  861    H    GLU  51           H        GLU  51  10.217   9.149  14.660
  862    HA   GLU  51           HA       GLU  51  12.206   8.423  16.527
  863   1HB   GLU  51          1HB       GLU  51  12.732   9.678  14.503
  864   2HB   GLU  51          2HB       GLU  51  11.776  11.038  15.072
  865   1HG   GLU  51          1HG       GLU  51  13.318  11.361  16.929
  866   2HG   GLU  51          2HG       GLU  51  14.269   9.979  16.385

  No H/Q in entry =         866