*HEADER    INHIBITOR                               04-OCT-05   2C34
*TITLE     LEISHMANIA MEXICANA ICP
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: INHIBITOR OF CYSTEINE PEPTIDASES;
*COMPND   3 SYNONYM: ICP;
*COMPND   4 CHAIN: A;
*COMPND   5 ENGINEERED: YES
*SOURCE    MOL_ID: 1;
*SOURCE   2 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE   3 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
*SOURCE   4 EXPRESSION_SYSTEM_PLASMID: PET28;
*SOURCE   5 ORGANISM_SCIENTIFIC: LEISHMANIA MEXICANA
*KEYWDS    ICP,CHAGASIN,CYSTEINE PEPTIDASE,INHIBITOR,
*KEYWDS   2 IMMUNOGLOBULIN FOLD
*EXPDTA    NMR, 38 STRUCTURES
*AUTHOR    B.O.SMITH,N.C.PICKEN,K.BROMEK,G.D.WESTROP,J.C.MOTTRAM,
*AUTHOR   2 G.H.COOMBS




 ASSI (
   (( segid "    " and resid 92   and name HD2 ))
  OR 
   (( segid "    " and resid 92   and name HD1 ))
 )(
   (( segid "    " and resid 92   and name HB2 ))
 )
      2.800     1.000     1.000 peak     3 weight  0.10000E+01 volume  0.65500E+00 ppm1      5.721 ppm2      2.219
 ASSI (
   (( segid "    " and resid 92   and name HD2 ))
  OR 
   (( segid "    " and resid 92   and name HD1 ))
 )(
   (( segid "    " and resid 92   and name HB3 ))
 )
      2.800     1.000     1.000 peak     4 weight  0.10000E+01 volume  0.62200E+00 ppm1      5.717 ppm2     -0.198
 ASSI (
   (( segid "    " and resid 92   and name HE2 ))
  OR 
   (( segid "    " and resid 92   and name HE1 ))
 )(
   (( segid "    " and resid 92   and name HD2 ))
  OR 
   (( segid "    " and resid 92   and name HD1 ))
 )
      2.400     0.700     0.700 peak     5 weight  0.10000E+01 volume  0.27410E+01 ppm1      6.093 ppm2      5.726
 ASSI (
   (( segid "    " and resid 92   and name HE2 ))
  OR 
   (( segid "    " and resid 92   and name HE1 ))
 )(
   (( segid "    " and resid 60   and name HA  ))
  OR 
   (( segid "    " and resid 28   and name HA3 ))
 )
      3.500     1.500     1.500 peak     8 weight  0.10000E+01 volume  0.23900E+00 ppm1      6.090 ppm2      4.313
 ASSI (
   (( segid "    " and resid 92   and name HE2 ))
  OR 
   (( segid "    " and resid 92   and name HE1 ))
 )(
   (( segid "    " and resid 33   and name HA3 ))
  OR 
   (( segid "    " and resid 31   and name HA  ))
  OR 
   (( segid "    " and resid 28   and name HA2 ))
 )
      3.300     1.400     1.400 peak     9 weight  0.10000E+01 volume  0.37700E+00 ppm1      6.088 ppm2      4.206
 ASSI (
   (( segid "    " and resid 58   and name HD2 ))
  OR 
   (( segid "    " and resid 58   and name HD1 ))
 )(
   (( segid "    " and resid 74   and name HA  ))
  OR 
   (( segid "    " and resid 73   and name HA  ))
  OR 
   (( segid "    " and resid 57   and name HA  ))
 )
      3.400     1.400     1.400 peak    12 weight  0.10000E+01 volume  0.31400E+00 ppm1      6.163 ppm2      4.859
 ASSI (
   (( segid "    " and resid 58   and name HD2 ))
  OR 
   (( segid "    " and resid 58   and name HD1 ))
 )(
   (( segid "    " and resid 58   and name HA  ))
 )
      2.900     1.100     1.100 peak    13 weight  0.10000E+01 volume  0.84800E+00 ppm1      6.166 ppm2      4.374
 ASSI (
   (( segid "    " and resid 58   and name HD2 ))
  OR 
   (( segid "    " and resid 58   and name HD1 ))
 )(
   (( segid "    " and resid 58   and name HB2 ))
 )
      2.600     0.800     0.800 peak    15 weight  0.10000E+01 volume  0.92600E+00 ppm1      6.162 ppm2      2.603
 ASSI (
   (( segid "    " and resid 58   and name HD2 ))
  OR 
   (( segid "    " and resid 58   and name HD1 ))
 )(
   (( segid "    " and resid 74   and name HB3 ))
  OR 
   (( segid "    " and resid 58   and name HB3 ))
 )
      2.700     0.900     0.900 peak    16 weight  0.10000E+01 volume  0.72500E+00 ppm1      6.158 ppm2      2.438
 ASSI (
   (( segid "    " and resid 58   and name HE2 ))
  OR 
   (( segid "    " and resid 58   and name HE1 ))
 )(
   (( segid "    " and resid 58   and name HD2 ))
  OR 
   (( segid "    " and resid 58   and name HD1 ))
 )
      2.400     0.700     0.700 peak    19 weight  0.10000E+01 volume  0.27510E+01 ppm1      6.466 ppm2      6.163
 ASSI (
   (( segid "    " and resid 106  and name HE2 ))
  OR 
   (( segid "    " and resid 106  and name HE1 ))
 )(
   (( segid "    " and resid 106  and name HD2 ))
  OR 
   (( segid "    " and resid 106  and name HD1 ))
 )
      2.100     0.600     0.600 peak    20 weight  0.10000E+01 volume  0.57440E+01 ppm1      6.488 ppm2      6.692
 ASSI (
   (( segid "    " and resid 106  and name HE2 ))
  OR 
   (( segid "    " and resid 106  and name HE1 ))
 )(
   (( segid "    " and resid 106  and name HB2 ))
  OR 
   (( segid "    " and resid 9    and name HB3 ))
 )
      3.000     1.100     1.100 peak    22 weight  0.10000E+01 volume  0.37200E+00 ppm1      6.486 ppm2      2.687
 ASSI (
   (( segid "    " and resid 106  and name HE2 ))
  OR 
   (( segid "    " and resid 106  and name HE1 ))
 )(
   (( segid "    " and resid 108  and name HB2 ))
  OR 
   (( segid "    " and resid 78   and name HB  ))
  OR 
   (( segid "    " and resid 27   and name HB2 ))
  OR 
   (( segid "    " and resid 23   and name HG2 ))
  OR 
   (( segid "    " and resid 8    and name HB2 ))
 )
      3.000     1.100     1.100 peak    23 weight  0.10000E+01 volume  0.43000E+00 ppm1      6.492 ppm2      1.798
 ASSI (
   (( segid "    " and resid 106  and name HE2 ))
  OR 
   (( segid "    " and resid 106  and name HE1 ))
 )(
   (( segid "    " and resid 108  and name HG  ))
  OR 
   (( segid "    " and resid 108  and name HB3 ))
  OR 
   (( segid "    " and resid 12   and name HG2 ))
 )
      2.600     0.800     0.800 peak    24 weight  0.10000E+01 volume  0.91300E+00 ppm1      6.487 ppm2      1.254
 ASSI (
   (( segid "    " and resid 106  and name HE2 ))
  OR 
   (( segid "    " and resid 106  and name HE1 ))
 )(
   (( segid "    " and resid 108  and name HD23))
  OR 
   (( segid "    " and resid 108  and name HD22))
  OR 
   (( segid "    " and resid 108  and name HD21))
  OR 
   (( segid "    " and resid 108  and name HD13))
  OR 
   (( segid "    " and resid 108  and name HD12))
  OR 
   (( segid "    " and resid 108  and name HD11))
  OR 
   (( segid "    " and resid 78   and name HG23))
  OR 
   (( segid "    " and resid 78   and name HG22))
  OR 
   (( segid "    " and resid 78   and name HG21))
 )
      2.800     1.000     1.000 peak    25 weight  0.10000E+01 volume  0.11940E+01 ppm1      6.488 ppm2      0.857
 ASSI (
   (( segid "    " and resid 106  and name HE2 ))
  OR 
   (( segid "    " and resid 106  and name HE1 ))
 )(
   (( segid "    " and resid 110  and name HD23))
  OR 
   (( segid "    " and resid 110  and name HD22))
  OR 
   (( segid "    " and resid 110  and name HD21))
  OR 
   (( segid "    " and resid 110  and name HD13))
  OR 
   (( segid "    " and resid 110  and name HD12))
  OR 
   (( segid "    " and resid 110  and name HD11))
  OR 
   (( segid "    " and resid 88   and name HD23))
  OR 
   (( segid "    " and resid 88   and name HD22))
  OR 
   (( segid "    " and resid 88   and name HD21))
  OR 
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
  OR 
   (( segid "    " and resid 78   and name HG13))
  OR 
   (( segid "    " and resid 78   and name HG12))
  OR 
   (( segid "    " and resid 78   and name HG11))
 )
      3.200     1.300     1.300 peak    26 weight  0.10000E+01 volume  0.50900E+00 ppm1      6.486 ppm2      0.732
 ASSI (
   (( segid "    " and resid 106  and name HE2 ))
  OR 
   (( segid "    " and resid 58   and name HE2 ))
  OR 
   (( segid "    " and resid 58   and name HE1 ))
 )(
   (( segid "    " and resid 105  and name HD2 ))
  OR 
   (( segid "    " and resid 30   and name HD2 ))
 )
      3.000     1.100     1.100 peak    27 weight  0.10000E+01 volume  0.37700E+00 ppm1      6.476 ppm2      3.199
 ASSI (
   (( segid "    " and resid 58   and name HE2 ))
  OR 
   (( segid "    " and resid 58   and name HE1 ))
 )(
   (( segid "    " and resid 92   and name HA  ))
  OR 
   (( segid "    " and resid 72   and name HA2 ))
  OR 
   (( segid "    " and resid 60   and name HA  ))
  OR 
   (( segid "    " and resid 58   and name HA  ))
 )
      3.000     1.100     1.100 peak    29 weight  0.10000E+01 volume  0.59400E+00 ppm1      6.465 ppm2      4.365
 ASSI (
   (( segid "    " and resid 58   and name HE2 ))
  OR 
   (( segid "    " and resid 58   and name HE1 ))
 )(
   (( segid "    " and resid 95   and name HD3 ))
  OR 
   (( segid "    " and resid 72   and name HA3 ))
  OR 
   (( segid "    " and resid 37   and name HB  ))
 )
      2.900     1.100     1.100 peak    30 weight  0.10000E+01 volume  0.48700E+00 ppm1      6.467 ppm2      4.076
 ASSI (
   (( segid "    " and resid 58   and name HE2 ))
  OR 
   (( segid "    " and resid 58   and name HE1 ))
 )(
   (( segid "    " and resid 33   and name HA2 ))
  OR 
   (( segid "    " and resid 30   and name HD3 ))
 )
      3.200     1.300     1.300 peak    31 weight  0.10000E+01 volume  0.26800E+00 ppm1      6.466 ppm2      3.610
 ASSI (
   (( segid "    " and resid 58   and name HE2 ))
  OR 
   (( segid "    " and resid 58   and name HE1 ))
 )(
   (( segid "    " and resid 60   and name HB3 ))
 )
      3.000     1.100     1.100 peak    32 weight  0.10000E+01 volume  0.42600E+00 ppm1      6.470 ppm2      2.340
 ASSI (
   (( segid "    " and resid 58   and name HE2 ))
  OR 
   (( segid "    " and resid 58   and name HE1 ))
 )(
   (( segid "    " and resid 60   and name HG3 ))
  OR 
   (( segid "    " and resid 60   and name HG2 ))
  OR 
   (( segid "    " and resid 36   and name HB3 ))
 )
      3.000     1.100     1.100 peak    33 weight  0.10000E+01 volume  0.44200E+00 ppm1      6.464 ppm2      2.000
 ASSI (
   (( segid "    " and resid 106  and name HE2 ))
  OR 
   (( segid "    " and resid 106  and name HE1 ))
 )(
   (( segid "    " and resid 24   and name HG23))
  OR 
   (( segid "    " and resid 24   and name HG22))
  OR 
   (( segid "    " and resid 24   and name HG21))
 )
      3.500     1.500     1.500 peak    34 weight  0.10000E+01 volume  0.30700E+00 ppm1      6.483 ppm2      0.337
 ASSI (
   (( segid "    " and resid 106  and name HE2 ))
  OR 
   (( segid "    " and resid 106  and name HE1 ))
 )(
   (( segid "    " and resid 90   and name HD13))
  OR 
   (( segid "    " and resid 90   and name HD12))
  OR 
   (( segid "    " and resid 90   and name HD11))
  OR 
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
  OR 
   (( segid "    " and resid 24   and name HD13))
  OR 
   (( segid "    " and resid 24   and name HD12))
  OR 
   (( segid "    " and resid 24   and name HD11))
 )
      2.900     1.100     1.100 peak    35 weight  0.10000E+01 volume  0.10240E+01 ppm1      6.488 ppm2      0.532
 ASSI (
   (( segid "    " and resid 58   and name HE2 ))
  OR 
   (( segid "    " and resid 58   and name HE1 ))
 )(
   (( segid "    " and resid 73   and name H   ))
  OR 
   (( segid "    " and resid 32   and name H   ))
 )
      3.200     1.300     1.300 peak    37 weight  0.10000E+01 volume  0.25300E+00 ppm1      6.475 ppm2      7.765
 ASSI (
   (( segid "    " and resid 34   and name HE2 ))
  OR 
   (( segid "    " and resid 34   and name HE1 ))
 )(
   (( segid "    " and resid 34   and name HD2 ))
  OR 
   (( segid "    " and resid 34   and name HD1 ))
 )
      2.300     0.700     0.700 peak    39 weight  0.10000E+01 volume  0.34900E+01 ppm1      6.604 ppm2      6.351
 ASSI (
   (( segid "    " and resid 106  and name HD2 ))
  OR 
   (( segid "    " and resid 106  and name HD1 ))
 )(
   (( segid "    " and resid 10   and name HB2 ))
  OR 
   (( segid "    " and resid 8    and name HE3 ))
 )
      3.300     1.400     1.400 peak    49 weight  0.10000E+01 volume  0.22300E+00 ppm1      6.696 ppm2      3.005
 ASSI (
   (( segid "    " and resid 106  and name HD2 ))
  OR 
   (( segid "    " and resid 106  and name HD1 ))
 )(
   (( segid "    " and resid 10   and name HB3 ))
 )
      3.200     1.300     1.300 peak    50 weight  0.10000E+01 volume  0.25300E+00 ppm1      6.702 ppm2      2.858
 ASSI (
   (( segid "    " and resid 106  and name HD2 ))
  OR 
   (( segid "    " and resid 106  and name HD1 ))
 )(
   (( segid "    " and resid 106  and name HB2 ))
 )
      2.600     0.800     0.800 peak    51 weight  0.10000E+01 volume  0.10060E+01 ppm1      6.700 ppm2      2.674
 ASSI (
   (( segid "    " and resid 106  and name HD2 ))
  OR 
   (( segid "    " and resid 106  and name HD1 ))
 )(
   (( segid "    " and resid 90   and name HB3 ))
 )
      3.400     1.400     1.400 peak    53 weight  0.10000E+01 volume  0.19600E+00 ppm1      6.705 ppm2      2.228
 ASSI (
   (( segid "    " and resid 106  and name HD2 ))
  OR 
   (( segid "    " and resid 106  and name HD1 ))
 )(
   (( segid "    " and resid 108  and name HG  ))
  OR 
   (( segid "    " and resid 108  and name HB3 ))
  OR 
   (( segid "    " and resid 12   and name HG2 ))
 )
      3.100     1.200     1.200 peak    54 weight  0.10000E+01 volume  0.33100E+00 ppm1      6.707 ppm2      1.253
 ASSI (
   (( segid "    " and resid 106  and name HD2 ))
  OR 
   (( segid "    " and resid 106  and name HD1 ))
 )(
   (( segid "    " and resid 90   and name HD13))
  OR 
   (( segid "    " and resid 90   and name HD12))
  OR 
   (( segid "    " and resid 90   and name HD11))
  OR 
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
  OR 
   (( segid "    " and resid 24   and name HD13))
  OR 
   (( segid "    " and resid 24   and name HD12))
  OR 
   (( segid "    " and resid 24   and name HD11))
 )
      2.700     0.900     0.900 peak    55 weight  0.10000E+01 volume  0.14820E+01 ppm1      6.702 ppm2      0.552
 ASSI (
   (( segid "    " and resid 74   and name HE2 ))
  OR 
   (( segid "    " and resid 74   and name HE1 ))
 )(
   (( segid "    " and resid 74   and name HD2 ))
  OR 
   (( segid "    " and resid 74   and name HD1 ))
 )
      2.400     0.700     0.700 peak    58 weight  0.10000E+01 volume  0.27780E+01 ppm1      6.939 ppm2      7.190
 ASSI (
   (( segid "    " and resid 74   and name HD2 ))
  OR 
   (( segid "    " and resid 74   and name HD1 ))
 )(
   (( segid "    " and resid 74   and name HB2 ))
 )
      2.800     1.000     1.000 peak    60 weight  0.10000E+01 volume  0.63900E+00 ppm1      7.191 ppm2      2.761
 ASSI (
   (( segid "    " and resid 74   and name HD2 ))
  OR 
   (( segid "    " and resid 74   and name HD1 ))
 )(
   (( segid "    " and resid 36   and name HB3 ))
 )
      2.900     1.100     1.100 peak    61 weight  0.10000E+01 volume  0.52300E+00 ppm1      7.192 ppm2      1.953
 ASSI (
   (( segid "    " and resid 36   and name HE3 ))
 )(
   (( segid "    " and resid 92   and name HB2 ))
  OR 
   (( segid "    " and resid 90   and name HB3 ))
 )
      3.300     1.400     1.400 peak    64 weight  0.10000E+01 volume  0.22400E+00 ppm1      7.183 ppm2      2.244
 ASSI (
   (( segid "    " and resid 41   and name HD2 ))
  OR 
   (( segid "    " and resid 41   and name HD1 ))
 )(
   (( segid "    " and resid 41   and name HB2 ))
 )
      2.600     0.800     0.800 peak    71 weight  0.10000E+01 volume  0.10090E+01 ppm1      7.248 ppm2      2.972
 ASSI (
   (( segid "    " and resid 96   and name HD2 ))
  OR 
   (( segid "    " and resid 96   and name HD1 ))
 )(
   (( segid "    " and resid 96   and name H   ))
 )
      3.000     1.100     1.100 peak    73 weight  0.10000E+01 volume  0.39200E+00 ppm1      7.162 ppm2      7.805
 ASSI (
   (( segid "    " and resid 41   and name HD2 ))
  OR 
   (( segid "    " and resid 41   and name HD1 ))
 )(
   (( segid "    " and resid 41   and name H   ))
  OR 
   (( segid "    " and resid 39   and name H   ))
 )
      3.000     1.100     1.100 peak    74 weight  0.10000E+01 volume  0.43700E+00 ppm1      7.248 ppm2      8.625
 ASSI (
   (( segid "    " and resid 36   and name HE3 ))
 )(
   (( segid "    " and resid 91   and name HA  ))
  OR 
   (( segid "    " and resid 36   and name HA  ))
 )
      3.100     1.200     1.200 peak    77 weight  0.10000E+01 volume  0.51800E+00 ppm1      7.180 ppm2      5.171
 ASSI (
   (( segid "    " and resid 86   and name HD2 ))
 )(
   (( segid "    " and resid 82   and name HB2 ))
  OR 
   (( segid "    " and resid 80   and name HB2 ))
 )
      3.700     1.700     1.700 peak    89 weight  0.10000E+01 volume  0.11400E+00 ppm1      6.567 ppm2      1.971
 ASSI (
   (( segid "    " and resid 86   and name HD2 ))
 )(
   (( segid "    " and resid 112  and name HG23))
  OR 
   (( segid "    " and resid 112  and name HG22))
  OR 
   (( segid "    " and resid 112  and name HG21))
 )
      2.800     1.000     1.000 peak    90 weight  0.10000E+01 volume  0.11610E+01 ppm1      6.574 ppm2      0.874
 ASSI (
   (( segid "    " and resid 86   and name HD2 ))
 )(
   (( segid "    " and resid 110  and name HD23))
  OR 
   (( segid "    " and resid 110  and name HD22))
  OR 
   (( segid "    " and resid 110  and name HD21))
  OR 
   (( segid "    " and resid 110  and name HD13))
  OR 
   (( segid "    " and resid 110  and name HD12))
  OR 
   (( segid "    " and resid 110  and name HD11))
  OR 
   (( segid "    " and resid 52   and name HD23))
  OR 
   (( segid "    " and resid 52   and name HD22))
  OR 
   (( segid "    " and resid 52   and name HD21))
  OR 
   (( segid "    " and resid 52   and name HD13))
  OR 
   (( segid "    " and resid 52   and name HD12))
  OR 
   (( segid "    " and resid 52   and name HD11))
  OR 
   (( segid "    " and resid 51   and name HD12))
  OR 
   (( segid "    " and resid 51   and name HD11))
 )
      3.400     1.400     1.400 peak    91 weight  0.10000E+01 volume  0.39800E+00 ppm1      6.573 ppm2      0.710
 ASSI (
   (( segid "    " and resid 92   and name HE2 ))
  OR 
   (( segid "    " and resid 92   and name HE1 ))
 )(
   (( segid "    " and resid 34   and name HB2 ))
 )
      2.800     1.000     1.000 peak   178 weight  0.10000E+01 volume  0.61700E+00 ppm1      6.094 ppm2      2.087
 ASSI (
   (( segid "    " and resid 92   and name HE2 ))
  OR 
   (( segid "    " and resid 92   and name HE1 ))
 )(
   (( segid "    " and resid 34   and name HB3 ))
 )
      3.500     1.500     1.500 peak   179 weight  0.10000E+01 volume  0.15500E+00 ppm1      6.091 ppm2      0.597
 ASSI (
   (( segid "    " and resid 58   and name HE2 ))
  OR 
   (( segid "    " and resid 58   and name HE1 ))
 )(
   (( segid "    " and resid 72   and name H   ))
  OR 
   (( segid "    " and resid 35   and name H   ))
  OR 
   (( segid "    " and resid 29   and name H   ))
 )
      3.100     1.200     1.200 peak   181 weight  0.10000E+01 volume  0.34000E+00 ppm1      6.462 ppm2      8.269
 ASSI (
   (( segid "    " and resid 25   and name HD2 ))
 )(
   (( segid "    " and resid 75   and name HG23))
  OR 
   (( segid "    " and resid 75   and name HG22))
  OR 
   (( segid "    " and resid 75   and name HG21))
 )
      3.200     1.300     1.300 peak   183 weight  0.10000E+01 volume  0.51900E+00 ppm1      6.899 ppm2      0.769
 ASSI (
   (( segid "    " and resid 25   and name HD2 ))
 )(
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
  OR 
   (( segid "    " and resid 75   and name HG13))
  OR 
   (( segid "    " and resid 75   and name HG12))
  OR 
   (( segid "    " and resid 75   and name HG11))
 )
      3.200     1.300     1.300 peak   184 weight  0.10000E+01 volume  0.53500E+00 ppm1      6.896 ppm2      0.558
 ASSI (
   (( segid "    " and resid 74   and name HE2 ))
  OR 
   (( segid "    " and resid 74   and name HE1 ))
 )(
   (( segid "    " and resid 74   and name HB3 ))
  OR 
   (( segid "    " and resid 58   and name HB3 ))
  OR 
   (( segid "    " and resid 35   and name HG3 ))
 )
      2.900     1.100     1.100 peak   185 weight  0.10000E+01 volume  0.48500E+00 ppm1      6.940 ppm2      2.417
 ASSI (
   (( segid "    " and resid 74   and name HE2 ))
  OR 
   (( segid "    " and resid 74   and name HE1 ))
 )(
   (( segid "    " and resid 36   and name HB3 ))
  OR 
   (( segid "    " and resid 30   and name HB2 ))
 )
      3.000     1.100     1.100 peak   186 weight  0.10000E+01 volume  0.39400E+00 ppm1      6.947 ppm2      1.948
 ASSI (
   (( segid "    " and resid 74   and name HE2 ))
  OR 
   (( segid "    " and resid 74   and name HE1 ))
 )(
   (( segid "    " and resid 73   and name HA  ))
  OR 
   (( segid "    " and resid 27   and name HA  ))
 )
      2.900     1.100     1.100 peak   187 weight  0.10000E+01 volume  0.74900E+00 ppm1      6.936 ppm2      4.823
 ASSI (
   (( segid "    " and resid 74   and name HE2 ))
  OR 
   (( segid "    " and resid 74   and name HE1 ))
 )(
   (( segid "    " and resid 28   and name HA2 ))
 )
      3.000     1.100     1.100 peak   188 weight  0.10000E+01 volume  0.68500E+00 ppm1      6.934 ppm2      4.224
 ASSI (
   (( segid "    " and resid 74   and name HE2 ))
  OR 
   (( segid "    " and resid 74   and name HE1 ))
 )(
   (( segid "    " and resid 60   and name HA  ))
  OR 
   (( segid "    " and resid 28   and name HA3 ))
 )
      3.200     1.300     1.300 peak   189 weight  0.10000E+01 volume  0.40400E+00 ppm1      6.940 ppm2      4.314
 ASSI (
   (( segid "    " and resid 74   and name HE2 ))
  OR 
   (( segid "    " and resid 74   and name HE1 ))
 )(
   (( segid "    " and resid 58   and name HD2 ))
  OR 
   (( segid "    " and resid 58   and name HD1 ))
 )
      3.500     1.500     1.500 peak   191 weight  0.10000E+01 volume  0.30400E+00 ppm1      6.942 ppm2      6.143
 ASSI (
   (( segid "    " and resid 36   and name HZ3 ))
 )(
   (( segid "    " and resid 91   and name HA  ))
  OR 
   (( segid "    " and resid 36   and name HA  ))
 )
      3.700     1.700     1.700 peak   199 weight  0.10000E+01 volume  0.18300E+00 ppm1      6.567 ppm2      5.196
 ASSI (
   (( segid "    " and resid 41   and name HD2 ))
  OR 
   (( segid "    " and resid 41   and name HD1 ))
 )(
   (( segid "    " and resid 46   and name HB  ))
  OR 
   (( segid "    " and resid 44   and name HB2 ))
 )
      3.200     1.300     1.300 peak   217 weight  0.10000E+01 volume  0.25700E+00 ppm1      7.247 ppm2      2.199
 ASSI (
   (( segid "    " and resid 41   and name HD2 ))
  OR 
   (( segid "    " and resid 41   and name HD1 ))
 )(
   (( segid "    " and resid 44   and name HD2 ))
 )
      3.400     1.400     1.400 peak   218 weight  0.10000E+01 volume  0.20700E+00 ppm1      7.260 ppm2      1.799
 ASSI (
   (( segid "    " and resid 41   and name HD2 ))
  OR 
   (( segid "    " and resid 41   and name HD1 ))
 )(
   (( segid "    " and resid 89   and name HG2 ))
  OR 
   (( segid "    " and resid 89   and name HB2 ))
  OR 
   (( segid "    " and resid 42   and name HB  ))
  OR 
   (( segid "    " and resid 39   and name HB  ))
  OR 
   (( segid "    " and resid 38   and name HG2 ))
 )
      3.000     1.100     1.100 peak   220 weight  0.10000E+01 volume  0.39600E+00 ppm1      7.248 ppm2      2.003
 ASSI (
   (( segid "    " and resid 41   and name HD2 ))
  OR 
   (( segid "    " and resid 41   and name HD1 ))
 )(
   (( segid "    " and resid 47   and name HG  ))
  OR 
   (( segid "    " and resid 44   and name HD3 ))
  OR 
   (( segid "    " and resid 38   and name HB2 ))
 )
      2.800     1.000     1.000 peak   221 weight  0.10000E+01 volume  0.62700E+00 ppm1      7.251 ppm2      1.643
 ASSI (
   (( segid "    " and resid 96   and name HE2 ))
  OR 
   (( segid "    " and resid 96   and name HE1 ))
  OR 
   (( segid "    " and resid 41   and name HD1 ))
 )(
   (( segid "    " and resid 99   and name HG13))
  OR 
   (( segid "    " and resid 97   and name HB3 ))
  OR 
   (( segid "    " and resid 97   and name HB2 ))
  OR 
   (( segid "    " and resid 95   and name HG2 ))
 )
      2.900     1.100     1.100 peak   222 weight  0.10000E+01 volume  0.51100E+00 ppm1      7.250 ppm2      1.709
 ASSI (
   (( segid "    " and resid 96   and name HE2 ))
  OR 
   (( segid "    " and resid 96   and name HE1 ))
  OR 
   (( segid "    " and resid 41   and name HD2 ))
  OR 
   (( segid "    " and resid 41   and name HD1 ))
 )(
   (( segid "    " and resid 99   and name HD13))
  OR 
   (( segid "    " and resid 99   and name HD12))
  OR 
   (( segid "    " and resid 99   and name HD11))
  OR 
   (( segid "    " and resid 94   and name HB3 ))
  OR 
   (( segid "    " and resid 47   and name HD23))
  OR 
   (( segid "    " and resid 47   and name HD22))
  OR 
   (( segid "    " and resid 47   and name HD21))
  OR 
   (( segid "    " and resid 47   and name HD13))
  OR 
   (( segid "    " and resid 47   and name HD12))
  OR 
   (( segid "    " and resid 47   and name HD11))
  OR 
   (( segid "    " and resid 39   and name HG23))
  OR 
   (( segid "    " and resid 39   and name HG22))
  OR 
   (( segid "    " and resid 39   and name HG21))
 )
      3.400     1.400     1.400 peak   223 weight  0.10000E+01 volume  0.35200E+00 ppm1      7.254 ppm2      0.902
 ASSI (
   (( segid "    " and resid 74   and name HD2 ))
  OR 
   (( segid "    " and resid 74   and name HD1 ))
 )(
   (( segid "    " and resid 74   and name H   ))
 )
      3.000     1.100     1.100 peak   224 weight  0.10000E+01 volume  0.41500E+00 ppm1      7.192 ppm2      9.422
 ASSI (
   (( segid "    " and resid 74   and name HD2 ))
  OR 
   (( segid "    " and resid 74   and name HD1 ))
 )(
   (( segid "    " and resid 36   and name HD1 ))
 )
      3.100     1.200     1.200 peak   225 weight  0.10000E+01 volume  0.58300E+00 ppm1      7.186 ppm2      6.001
 ASSI (
   (( segid "    " and resid 74   and name HD2 ))
  OR 
   (( segid "    " and resid 74   and name HD1 ))
 )(
   (( segid "    " and resid 92   and name HD2 ))
  OR 
   (( segid "    " and resid 92   and name HD1 ))
 )
      4.000     2.000     2.000 peak   226 weight  0.10000E+01 volume  0.14000E+00 ppm1      7.191 ppm2      5.763
 ASSI (
   (( segid "    " and resid 74   and name HD2 ))
  OR 
   (( segid "    " and resid 74   and name HD1 ))
 )(
   (( segid "    " and resid 73   and name HA  ))
  OR 
   (( segid "    " and resid 27   and name HA  ))
 )
      2.700     0.900     0.900 peak   227 weight  0.10000E+01 volume  0.11020E+01 ppm1      7.189 ppm2      4.840
 ASSI (
   (( segid "    " and resid 74   and name HD2 ))
  OR 
   (( segid "    " and resid 74   and name HD1 ))
 )(
   (( segid "    " and resid 90   and name HD13))
  OR 
   (( segid "    " and resid 90   and name HD12))
  OR 
   (( segid "    " and resid 90   and name HD11))
  OR 
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
  OR 
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
  OR 
   (( segid "    " and resid 75   and name HG13))
  OR 
   (( segid "    " and resid 75   and name HG12))
  OR 
   (( segid "    " and resid 75   and name HG11))
  OR 
   (( segid "    " and resid 73   and name HD13))
  OR 
   (( segid "    " and resid 73   and name HD12))
  OR 
   (( segid "    " and resid 73   and name HD11))
 )
      3.700     1.700     1.700 peak   230 weight  0.10000E+01 volume  0.23500E+00 ppm1      7.195 ppm2      0.536
 ASSI (
   (( segid "    " and resid 106  and name HD2 ))
  OR 
   (( segid "    " and resid 106  and name HD1 ))
 )(
   (( segid "    " and resid 105  and name HG3 ))
  OR 
   (( segid "    " and resid 105  and name HB2 ))
  OR 
   (( segid "    " and resid 91   and name HB  ))
  OR 
   (( segid "    " and resid 90   and name HB2 ))
  OR 
   (( segid "    " and resid 76   and name HB  ))
  OR 
   (( segid "    " and resid 12   and name HB3 ))
  OR 
   (( segid "    " and resid 12   and name HB2 ))
  OR 
   (( segid "    " and resid 8    and name HB2 ))
 )
      3.200     1.300     1.300 peak   231 weight  0.10000E+01 volume  0.27800E+00 ppm1      6.714 ppm2      1.763
 ASSI (
   (( segid "    " and resid 106  and name HD2 ))
  OR 
   (( segid "    " and resid 106  and name HD1 ))
 )(
   (( segid "    " and resid 108  and name HD13))
  OR 
   (( segid "    " and resid 108  and name HD12))
  OR 
   (( segid "    " and resid 108  and name HD11))
  OR 
   (( segid "    " and resid 88   and name HD23))
  OR 
   (( segid "    " and resid 88   and name HD22))
  OR 
   (( segid "    " and resid 88   and name HD21))
  OR 
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
  OR 
   (( segid "    " and resid 78   and name HG23))
  OR 
   (( segid "    " and resid 78   and name HG22))
  OR 
   (( segid "    " and resid 78   and name HG21))
  OR 
   (( segid "    " and resid 78   and name HG13))
  OR 
   (( segid "    " and resid 78   and name HG12))
  OR 
   (( segid "    " and resid 78   and name HG11))
 )
      3.600     1.600     1.600 peak   232 weight  0.10000E+01 volume  0.24500E+00 ppm1      6.714 ppm2      0.787
 ASSI (
   (( segid "    " and resid 106  and name HD2 ))
  OR 
   (( segid "    " and resid 106  and name HD1 ))
 )(
   (( segid "    " and resid 107  and name H   ))
  OR 
   (( segid "    " and resid 11   and name H   ))
 )
      3.300     1.400     1.400 peak   233 weight  0.10000E+01 volume  0.25200E+00 ppm1      6.706 ppm2      7.966
 ASSI (
   (( segid "    " and resid 106  and name HD2 ))
  OR 
   (( segid "    " and resid 106  and name HD1 ))
 )(
   (( segid "    " and resid 106  and name HA  ))
  OR 
   (( segid "    " and resid 10   and name HA  ))
 )
      2.500     0.800     0.800 peak   234 weight  0.10000E+01 volume  0.18080E+01 ppm1      6.703 ppm2      4.726
 ASSI (
   (( segid "    " and resid 34   and name HD2 ))
 )(
   (( segid "    " and resid 94   and name H   ))
  OR 
   (( segid "    " and resid 93   and name H   ))
 )
      3.400     1.400     1.400 peak   236 weight  0.10000E+01 volume  0.20100E+00 ppm1      6.353 ppm2      8.225
 ASSI (
   (( segid "    " and resid 90   and name HA  ))
 )(
   (( segid "    " and resid 89   and name H   ))
  OR 
   (( segid "    " and resid 39   and name H   ))
 )
      2.900     1.100     1.100 peak   244 weight  0.10000E+01 volume  0.42800E+00 ppm1      5.671 ppm2      8.641
 ASSI (
   (( segid "    " and resid 90   and name HA  ))
 )(
   (( segid "    " and resid 90   and name HD13))
  OR 
   (( segid "    " and resid 90   and name HD12))
  OR 
   (( segid "    " and resid 90   and name HD11))
  OR 
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
  OR 
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG11))
  OR 
   (( segid "    " and resid 54   and name HG13))
  OR 
   (( segid "    " and resid 54   and name HG12))
 )
      3.400     1.400     1.400 peak   246 weight  0.10000E+01 volume  0.30700E+00 ppm1      5.676 ppm2      0.541
 ASSI (
   (( segid "    " and resid 90   and name HA  ))
 )(
   (( segid "    " and resid 90   and name HB2 ))
  OR 
   (( segid "    " and resid 38   and name HG2 ))
 )
      2.400     0.700     0.700 peak   247 weight  0.10000E+01 volume  0.12050E+01 ppm1      5.669 ppm2      1.765
 ASSI (
   (( segid "    " and resid 90   and name HA  ))
 )(
   (( segid "    " and resid 99   and name HD11))
  OR 
   (( segid "    " and resid 91   and name HG23))
  OR 
   (( segid "    " and resid 91   and name HG22))
  OR 
   (( segid "    " and resid 91   and name HG21))
  OR 
   (( segid "    " and resid 47   and name HD12))
  OR 
   (( segid "    " and resid 39   and name HG23))
  OR 
   (( segid "    " and resid 39   and name HG22))
  OR 
   (( segid "    " and resid 39   and name HG21))
 )
      3.400     1.400     1.400 peak   250 weight  0.10000E+01 volume  0.29600E+00 ppm1      5.669 ppm2      0.896
 ASSI (
   (( segid "    " and resid 90   and name HA  ))
 )(
   (( segid "    " and resid 90   and name HD23))
  OR 
   (( segid "    " and resid 90   and name HD22))
  OR 
   (( segid "    " and resid 90   and name HD21))
 )
      2.600     0.800     0.800 peak   251 weight  0.10000E+01 volume  0.16640E+01 ppm1      5.671 ppm2      0.683
 ASSI (
   (( segid "    " and resid 25   and name HA  ))
 )(
   (( segid "    " and resid 73   and name HD13))
  OR 
   (( segid "    " and resid 73   and name HD12))
  OR 
   (( segid "    " and resid 73   and name HD11))
  OR 
   (( segid "    " and resid 26   and name HB2 ))
 )
      3.100     1.200     1.200 peak   270 weight  0.10000E+01 volume  0.45200E+00 ppm1      5.560 ppm2      0.515
 ASSI (
   (( segid "    " and resid 79   and name HA  ))
 )(
   (( segid "    " and resid 79   and name HG3 ))
  OR 
   (( segid "    " and resid 79   and name HG2 ))
 )
      2.600     0.800     0.800 peak   272 weight  0.10000E+01 volume  0.86400E+00 ppm1      5.505 ppm2      1.002
 ASSI (
   (( segid "    " and resid 17   and name HA  ))
 )(
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 18   and name HG23))
  OR 
   (( segid "    " and resid 18   and name HG22))
  OR 
   (( segid "    " and resid 18   and name HG21))
 )
      2.600     0.800     0.800 peak   282 weight  0.10000E+01 volume  0.15010E+01 ppm1      5.510 ppm2      0.802
 ASSI (
   (( segid "    " and resid 15   and name HA  ))
 )(
   (( segid "    " and resid 112  and name H   ))
  OR 
   (( segid "    " and resid 15   and name H   ))
 )
      2.700     0.900     0.900 peak   285 weight  0.10000E+01 volume  0.62300E+00 ppm1      5.409 ppm2      8.748
 ASSI (
   (( segid "    " and resid 15   and name HA  ))
 )(
   (( segid "    " and resid 15   and name HB3 ))
  OR 
   (( segid "    " and resid 15   and name HB2 ))
 )
      2.300     0.700     0.700 peak   287 weight  0.10000E+01 volume  0.18310E+01 ppm1      5.398 ppm2      2.701
 ASSI (
   (( segid "    " and resid 105  and name HA  ))
 )(
   (( segid "    " and resid 105  and name HD3 ))
  OR 
   (( segid "    " and resid 105  and name HD2 ))
 )
      2.800     1.000     1.000 peak   291 weight  0.10000E+01 volume  0.52900E+00 ppm1      5.367 ppm2      3.171
 ASSI (
   (( segid "    " and resid 105  and name HA  ))
 )(
   (( segid "    " and resid 105  and name HG3 ))
  OR 
   (( segid "    " and resid 105  and name HG2 ))
  OR 
   (( segid "    " and resid 105  and name HB2 ))
 )
      2.300     0.700     0.700 peak   293 weight  0.10000E+01 volume  0.17930E+01 ppm1      5.369 ppm2      1.758
 ASSI (
   (( segid "    " and resid 86   and name HA  ))
  OR 
   (( segid "    " and resid 85   and name HA  ))
 )(
   (( segid "    " and resid 86   and name H   ))
 )
      2.100     0.600     0.600 peak   297 weight  0.10000E+01 volume  0.27000E+01 ppm1      5.250 ppm2      8.783
 ASSI (
   (( segid "    " and resid 85   and name HA  ))
  OR 
   (( segid "    " and resid 23   and name HA  ))
 )(
   (( segid "    " and resid 84   and name H   ))
  OR 
   (( segid "    " and resid 78   and name H   ))
 )
      3.500     1.500     1.500 peak   298 weight  0.10000E+01 volume  0.12500E+00 ppm1      5.264 ppm2      8.986
 ASSI (
   (( segid "    " and resid 86   and name HA  ))
  OR 
   (( segid "    " and resid 85   and name HA  ))
 )(
   (( segid "    " and resid 86   and name HB2 ))
 )
      2.500     0.800     0.800 peak   301 weight  0.10000E+01 volume  0.91700E+00 ppm1      5.275 ppm2      2.516
 ASSI (
   (( segid "    " and resid 23   and name HA  ))
 )(
   (( segid "    " and resid 23   and name HG2 ))
  OR 
   (( segid "    " and resid 23   and name HB3 ))
  OR 
   (( segid "    " and resid 23   and name HB2 ))
 )
      2.200     0.600     0.600 peak   303 weight  0.10000E+01 volume  0.19320E+01 ppm1      5.287 ppm2      1.783
 ASSI (
   (( segid "    " and resid 23   and name HA  ))
 )(
   (( segid "    " and resid 77   and name HD13))
  OR 
   (( segid "    " and resid 77   and name HD12))
  OR 
   (( segid "    " and resid 77   and name HD11))
 )
      2.600     0.800     0.800 peak   306 weight  0.10000E+01 volume  0.14540E+01 ppm1      5.285 ppm2      0.734
 ASSI (
   (( segid "    " and resid 38   and name HA  ))
 )(
   (( segid "    " and resid 89   and name HB2 ))
  OR 
   (( segid "    " and resid 38   and name HG2 ))
 )
      3.000     1.100     1.100 peak   310 weight  0.10000E+01 volume  0.33300E+00 ppm1      5.147 ppm2      2.012
 ASSI (
   (( segid "    " and resid 38   and name HA  ))
 )(
   (( segid "    " and resid 90   and name HB2 ))
  OR 
   (( segid "    " and resid 38   and name HG2 ))
 )
      2.600     0.800     0.800 peak   311 weight  0.10000E+01 volume  0.72700E+00 ppm1      5.153 ppm2      1.768
 ASSI (
   (( segid "    " and resid 38   and name HA  ))
 )(
   (( segid "    " and resid 90   and name HD23))
  OR 
   (( segid "    " and resid 90   and name HD22))
  OR 
   (( segid "    " and resid 90   and name HD21))
 )
      2.600     0.800     0.800 peak   315 weight  0.10000E+01 volume  0.15640E+01 ppm1      5.150 ppm2      0.661
 ASSI (
   (( segid "    " and resid 56   and name HA  ))
 )(
   (( segid "    " and resid 76   and name H   ))
  OR 
   (( segid "    " and resid 56   and name H   ))
 )
      3.000     1.100     1.100 peak   319 weight  0.10000E+01 volume  0.31700E+00 ppm1      5.352 ppm2      9.168
 ASSI (
   (( segid "    " and resid 91   and name HA  ))
 )(
   (( segid "    " and resid 105  and name HB2 ))
  OR 
   (( segid "    " and resid 91   and name HB  ))
  OR 
   (( segid "    " and resid 90   and name HB2 ))
 )
      2.400     0.700     0.700 peak   329 weight  0.10000E+01 volume  0.12960E+01 ppm1      5.191 ppm2      1.785
 ASSI (
   (( segid "    " and resid 91   and name HA  ))
 )(
   (( segid "    " and resid 91   and name HG23))
  OR 
   (( segid "    " and resid 91   and name HG22))
  OR 
   (( segid "    " and resid 91   and name HG21))
 )
      2.500     0.800     0.800 peak   331 weight  0.10000E+01 volume  0.20110E+01 ppm1      5.191 ppm2      0.909
 ASSI (
   (( segid "    " and resid 78   and name HA  ))
 )(
   (( segid "    " and resid 78   and name HG23))
  OR 
   (( segid "    " and resid 78   and name HG22))
  OR 
   (( segid "    " and resid 78   and name HG21))
  OR 
   (( segid "    " and resid 78   and name HG13))
  OR 
   (( segid "    " and resid 78   and name HG12))
  OR 
   (( segid "    " and resid 78   and name HG11))
 )
      2.400     0.700     0.700 peak   333 weight  0.10000E+01 volume  0.23030E+01 ppm1      5.080 ppm2      0.785
 ASSI (
   (( segid "    " and resid 77   and name HA  ))
 )(
   (( segid "    " and resid 77   and name HD13))
  OR 
   (( segid "    " and resid 77   and name HD12))
  OR 
   (( segid "    " and resid 77   and name HD11))
 )
      2.600     0.800     0.800 peak   344 weight  0.10000E+01 volume  0.15080E+01 ppm1      5.027 ppm2      0.731
 ASSI (
   (( segid "    " and resid 110  and name HA  ))
 )(
   (( segid "    " and resid 111  and name H   ))
  OR 
   (( segid "    " and resid 110  and name H   ))
 )
      2.200     0.600     0.600 peak   345 weight  0.10000E+01 volume  0.21310E+01 ppm1      4.961 ppm2      9.105
 ASSI (
   (( segid "    " and resid 83   and name HA  ))
 )(
   (( segid "    " and resid 83   and name HG2 ))
  OR 
   (( segid "    " and resid 83   and name HB3 ))
 )
      2.400     0.700     0.700 peak   348 weight  0.10000E+01 volume  0.14490E+01 ppm1      3.952 ppm2      1.742
 ASSI (
   (( segid "    " and resid 83   and name HA  ))
 )(
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 18   and name HG23))
  OR 
   (( segid "    " and resid 18   and name HG22))
  OR 
   (( segid "    " and resid 18   and name HG21))
  OR 
   (( segid "    " and resid 18   and name HG13))
 )
      2.600     0.800     0.800 peak   350 weight  0.10000E+01 volume  0.16170E+01 ppm1      3.948 ppm2      0.810
 ASSI (
   (( segid "    " and resid 34   and name HA  ))
 )(
   (( segid "    " and resid 34   and name HD2 ))
  OR 
   (( segid "    " and resid 34   and name HD1 ))
 )
      3.100     1.200     1.200 peak   356 weight  0.10000E+01 volume  0.49300E+00 ppm1      3.999 ppm2      6.341
 ASSI (
   (( segid "    " and resid 53   and name HB3 ))
 )(
   (( segid "    " and resid 81   and name HG3 ))
  OR 
   (( segid "    " and resid 81   and name HG2 ))
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   (( segid "    " and resid 79   and name HB2 ))
 )
      2.300     0.700     0.700 peak   374 weight  0.10000E+01 volume  0.10890E+01 ppm1      2.169 ppm2      1.599
 ASSI (
   (( segid "    " and resid 53   and name HB2 ))
 )(
   (( segid "    " and resid 81   and name HG3 ))
  OR 
   (( segid "    " and resid 81   and name HG2 ))
  OR 
   (( segid "    " and resid 79   and name HB3 ))
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      2.500     0.800     0.800 peak   375 weight  0.10000E+01 volume  0.72900E+00 ppm1      1.926 ppm2      1.588
 ASSI (
   (( segid "    " and resid 26   and name HD13))
  OR 
   (( segid "    " and resid 26   and name HD12))
  OR 
   (( segid "    " and resid 26   and name HD11))
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   (( segid "    " and resid 90   and name HD12))
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  OR 
   (( segid "    " and resid 24   and name HD11))
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      2.400     0.700     0.700 peak   387 weight  0.10000E+01 volume  0.31680E+01 ppm1     -1.039 ppm2      0.550
 ASSI (
   (( segid "    " and resid 26   and name HD13))
  OR 
   (( segid "    " and resid 26   and name HD12))
  OR 
   (( segid "    " and resid 26   and name HD11))
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      2.300     0.700     0.700 peak   388 weight  0.10000E+01 volume  0.22350E+01 ppm1     -1.038 ppm2      0.354
 ASSI (
   (( segid "    " and resid 26   and name HD13))
  OR 
   (( segid "    " and resid 26   and name HD12))
  OR 
   (( segid "    " and resid 26   and name HD11))
 )(
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   (( segid "    " and resid 91   and name HG12))
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  OR 
   (( segid "    " and resid 78   and name HG11))
 )
      3.900     1.900     1.900 peak   389 weight  0.10000E+01 volume  0.17700E+00 ppm1     -1.036 ppm2      0.728
 ASSI (
   (( segid "    " and resid 26   and name HD13))
  OR 
   (( segid "    " and resid 26   and name HD12))
  OR 
   (( segid "    " and resid 26   and name HD11))
 )(
   (( segid "    " and resid 88   and name HG  ))
  OR 
   (( segid "    " and resid 24   and name HB  ))
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      3.600     1.600     1.600 peak   390 weight  0.10000E+01 volume  0.14100E+00 ppm1     -1.036 ppm2      1.348
 ASSI (
   (( segid "    " and resid 26   and name HD13))
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   (( segid "    " and resid 26   and name HD12))
  OR 
   (( segid "    " and resid 26   and name HD11))
 )(
   (( segid "    " and resid 90   and name HB3 ))
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      3.600     1.600     1.600 peak   391 weight  0.10000E+01 volume  0.14700E+00 ppm1     -1.041 ppm2      2.277
 ASSI (
   (( segid "    " and resid 26   and name HD13))
  OR 
   (( segid "    " and resid 26   and name HD12))
  OR 
   (( segid "    " and resid 26   and name HD11))
 )(
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   (( segid "    " and resid 27   and name HD2 ))
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      3.300     1.400     1.400 peak   392 weight  0.10000E+01 volume  0.26300E+00 ppm1     -1.035 ppm2      1.733
 ASSI (
   (( segid "    " and resid 26   and name HD13))
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   (( segid "    " and resid 26   and name HD12))
  OR 
   (( segid "    " and resid 26   and name HD11))
 )(
   (( segid "    " and resid 74   and name HB2 ))
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      3.400     1.400     1.400 peak   393 weight  0.10000E+01 volume  0.21400E+00 ppm1     -1.045 ppm2      2.758
 ASSI (
   (( segid "    " and resid 26   and name HD13))
  OR 
   (( segid "    " and resid 26   and name HD12))
  OR 
   (( segid "    " and resid 26   and name HD11))
 )(
   (( segid "    " and resid 36   and name HB2 ))
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      3.400     1.400     1.400 peak   394 weight  0.10000E+01 volume  0.20500E+00 ppm1     -1.044 ppm2      2.614
 ASSI (
   (( segid "    " and resid 26   and name HD13))
  OR 
   (( segid "    " and resid 26   and name HD12))
  OR 
   (( segid "    " and resid 26   and name HD11))
 )(
   (( segid "    " and resid 26   and name HA  ))
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      3.800     1.800     1.800 peak   397 weight  0.10000E+01 volume  0.16600E+00 ppm1     -1.036 ppm2      4.489
 ASSI (
   (( segid "    " and resid 26   and name HD13))
  OR 
   (( segid "    " and resid 26   and name HD12))
  OR 
   (( segid "    " and resid 26   and name HD11))
 )(
   (( segid "    " and resid 74   and name HA  ))
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   (( segid "    " and resid 73   and name HA  ))
  OR 
   (( segid "    " and resid 57   and name HA  ))
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   (( segid "    " and resid 27   and name HA  ))
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      4.000     2.000     2.000 peak   398 weight  0.10000E+01 volume  0.11800E+00 ppm1     -1.043 ppm2      4.843
 ASSI (
   (( segid "    " and resid 26   and name HD13))
  OR 
   (( segid "    " and resid 26   and name HD12))
  OR 
   (( segid "    " and resid 26   and name HD11))
 )(
   (( segid "    " and resid 106  and name HD2 ))
  OR 
   (( segid "    " and resid 106  and name HD1 ))
 )
      3.700     1.700     1.700 peak   399 weight  0.10000E+01 volume  0.21600E+00 ppm1     -1.037 ppm2      6.716
 ASSI (
   (( segid "    " and resid 26   and name HD13))
  OR 
   (( segid "    " and resid 26   and name HD12))
  OR 
   (( segid "    " and resid 26   and name HD11))
 )(
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  OR 
   (( segid "    " and resid 74   and name HD1 ))
  OR 
   (( segid "    " and resid 36   and name HE3 ))
 )
      3.700     1.700     1.700 peak   400 weight  0.10000E+01 volume  0.21400E+00 ppm1     -1.036 ppm2      7.189
 ASSI (
   (( segid "    " and resid 26   and name HD13))
  OR 
   (( segid "    " and resid 26   and name HD12))
  OR 
   (( segid "    " and resid 26   and name HD11))
 )(
   (( segid "    " and resid 26   and name H   ))
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      3.700     1.700     1.700 peak   402 weight  0.10000E+01 volume  0.11700E+00 ppm1     -1.045 ppm2      8.921
 ASSI (
   (( segid "    " and resid 26   and name HD13))
  OR 
   (( segid "    " and resid 26   and name HD12))
  OR 
   (( segid "    " and resid 26   and name HD11))
 )(
   (( segid "    " and resid 90   and name H   ))
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   (( segid "    " and resid 76   and name H   ))
  OR 
   (( segid "    " and resid 36   and name HE1 ))
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      3.500     1.500     1.500 peak   403 weight  0.10000E+01 volume  0.19700E+00 ppm1     -1.040 ppm2      9.227
 ASSI (
   (( segid "    " and resid 26   and name HD23))
  OR 
   (( segid "    " and resid 26   and name HD22))
  OR 
   (( segid "    " and resid 26   and name HD21))
 )(
   (( segid "    " and resid 26   and name HD13))
  OR 
   (( segid "    " and resid 26   and name HD12))
  OR 
   (( segid "    " and resid 26   and name HD11))
 )
      2.600     0.800     0.800 peak   404 weight  0.10000E+01 volume  0.20620E+01 ppm1     -0.350 ppm2     -1.044
 ASSI (
   (( segid "    " and resid 26   and name HD23))
  OR 
   (( segid "    " and resid 26   and name HD22))
  OR 
   (( segid "    " and resid 26   and name HD21))
 )(
   (( segid "    " and resid 24   and name HG13))
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      3.400     1.400     1.400 peak   405 weight  0.10000E+01 volume  0.20600E+00 ppm1     -0.347 ppm2      0.914
 ASSI (
   (( segid "    " and resid 26   and name HD23))
  OR 
   (( segid "    " and resid 26   and name HD22))
  OR 
   (( segid "    " and resid 26   and name HD21))
 )(
   (( segid "    " and resid 88   and name HD13))
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   (( segid "    " and resid 88   and name HD12))
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   (( segid "    " and resid 88   and name HD11))
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   (( segid "    " and resid 78   and name HG13))
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   (( segid "    " and resid 78   and name HG12))
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   (( segid "    " and resid 75   and name HG22))
  OR 
   (( segid "    " and resid 75   and name HG21))
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      3.600     1.600     1.600 peak   406 weight  0.10000E+01 volume  0.25500E+00 ppm1     -0.352 ppm2      0.749
 ASSI (
   (( segid "    " and resid 26   and name HD23))
  OR 
   (( segid "    " and resid 26   and name HD22))
  OR 
   (( segid "    " and resid 26   and name HD21))
 )(
   (( segid "    " and resid 26   and name HG  ))
  OR 
   (( segid "    " and resid 26   and name HB2 ))
 )
      2.200     0.600     0.600 peak   407 weight  0.10000E+01 volume  0.24500E+01 ppm1     -0.350 ppm2      0.461
 ASSI (
   (( segid "    " and resid 26   and name HD23))
  OR 
   (( segid "    " and resid 26   and name HD22))
  OR 
   (( segid "    " and resid 26   and name HD21))
 )(
   (( segid "    " and resid 26   and name HB3 ))
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   (( segid "    " and resid 24   and name HG23))
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   (( segid "    " and resid 24   and name HG22))
  OR 
   (( segid "    " and resid 24   and name HG21))
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      2.400     0.700     0.700 peak   408 weight  0.10000E+01 volume  0.29280E+01 ppm1     -0.350 ppm2      0.338
 ASSI (
   (( segid "    " and resid 26   and name HD23))
  OR 
   (( segid "    " and resid 26   and name HD22))
  OR 
   (( segid "    " and resid 26   and name HD21))
 )(
   (( segid "    " and resid 105  and name HG3 ))
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   (( segid "    " and resid 90   and name HB2 ))
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  OR 
   (( segid "    " and resid 8    and name HD2 ))
 )
      3.700     1.700     1.700 peak   410 weight  0.10000E+01 volume  0.12000E+00 ppm1     -0.351 ppm2      1.732
 ASSI (
   (( segid "    " and resid 26   and name HD23))
  OR 
   (( segid "    " and resid 26   and name HD22))
  OR 
   (( segid "    " and resid 26   and name HD21))
 )(
   (( segid "    " and resid 24   and name HB  ))
 )
      3.500     1.500     1.500 peak   411 weight  0.10000E+01 volume  0.17000E+00 ppm1     -0.352 ppm2      1.372
 ASSI (
   (( segid "    " and resid 26   and name HD23))
  OR 
   (( segid "    " and resid 26   and name HD22))
  OR 
   (( segid "    " and resid 26   and name HD21))
 )(
   (( segid "    " and resid 106  and name HB2 ))
  OR 
   (( segid "    " and resid 9    and name HB3 ))
 )
      3.000     1.100     1.100 peak   412 weight  0.10000E+01 volume  0.45900E+00 ppm1     -0.353 ppm2      2.702
 ASSI (
   (( segid "    " and resid 26   and name HD23))
  OR 
   (( segid "    " and resid 26   and name HD22))
  OR 
   (( segid "    " and resid 26   and name HD21))
 )(
   (( segid "    " and resid 106  and name HB3 ))
 )
      3.200     1.300     1.300 peak   413 weight  0.10000E+01 volume  0.28400E+00 ppm1     -0.351 ppm2      2.541
 ASSI (
   (( segid "    " and resid 26   and name HD23))
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   (( segid "    " and resid 26   and name HD22))
  OR 
   (( segid "    " and resid 26   and name HD21))
 )(
   (( segid "    " and resid 36   and name HZ2 ))
 )
      3.900     1.900     1.900 peak   415 weight  0.10000E+01 volume  0.17100E+00 ppm1     -0.350 ppm2      7.104
 ASSI (
   (( segid "    " and resid 26   and name HD23))
  OR 
   (( segid "    " and resid 26   and name HD22))
  OR 
   (( segid "    " and resid 26   and name HD21))
 )(
   (( segid "    " and resid 106  and name HD2 ))
  OR 
   (( segid "    " and resid 106  and name HD1 ))
 )
      3.100     1.200     1.200 peak   416 weight  0.10000E+01 volume  0.67700E+00 ppm1     -0.350 ppm2      6.709
 ASSI (
   (( segid "    " and resid 26   and name HD23))
  OR 
   (( segid "    " and resid 26   and name HD22))
  OR 
   (( segid "    " and resid 26   and name HD21))
 )(
   (( segid "    " and resid 106  and name HE2 ))
  OR 
   (( segid "    " and resid 106  and name HE1 ))
 )
      3.500     1.500     1.500 peak   417 weight  0.10000E+01 volume  0.31000E+00 ppm1     -0.350 ppm2      6.500
 ASSI (
   (( segid "    " and resid 26   and name HD23))
  OR 
   (( segid "    " and resid 26   and name HD22))
  OR 
   (( segid "    " and resid 26   and name HD21))
 )(
   (( segid "    " and resid 36   and name HE1 ))
  OR 
   (( segid "    " and resid 24   and name H   ))
 )
      3.800     1.800     1.800 peak   418 weight  0.10000E+01 volume  0.13300E+00 ppm1     -0.350 ppm2      9.253
 ASSI (
   (( segid "    " and resid 26   and name HD23))
  OR 
   (( segid "    " and resid 26   and name HD22))
  OR 
   (( segid "    " and resid 26   and name HD21))
 )(
   (( segid "    " and resid 26   and name H   ))
 )
      3.300     1.400     1.400 peak   419 weight  0.10000E+01 volume  0.23700E+00 ppm1     -0.358 ppm2      8.926
 ASSI (
   (( segid "    " and resid 26   and name HD23))
  OR 
   (( segid "    " and resid 26   and name HD22))
  OR 
   (( segid "    " and resid 26   and name HD21))
 )(
   (( segid "    " and resid 27   and name H   ))
  OR 
   (( segid "    " and resid 25   and name H   ))
 )
      2.800     1.000     1.000 peak   420 weight  0.10000E+01 volume  0.62500E+00 ppm1     -0.350 ppm2      8.717
 ASSI (
   (( segid "    " and resid 92   and name HB3 ))
 )(
   (( segid "    " and resid 104  and name HB3 ))
  OR 
   (( segid "    " and resid 104  and name HB2 ))
 )
      2.900     1.100     1.100 peak   422 weight  0.10000E+01 volume  0.28100E+00 ppm1     -0.203 ppm2      2.011
 ASSI (
   (( segid "    " and resid 92   and name HB3 ))
 )(
   (( segid "    " and resid 104  and name H   ))
  OR 
   (( segid "    " and resid 36   and name HE1 ))
 )
      3.100     1.200     1.200 peak   427 weight  0.10000E+01 volume  0.19300E+00 ppm1     -0.211 ppm2      9.201
 ASSI (
   (( segid "    " and resid 53   and name HG2 ))
 )(
   (( segid "    " and resid 81   and name HG3 ))
  OR 
   (( segid "    " and resid 81   and name HG2 ))
  OR 
   (( segid "    " and resid 79   and name HB3 ))
  OR 
   (( segid "    " and resid 54   and name HB  ))
 )
      2.500     0.800     0.800 peak   430 weight  0.10000E+01 volume  0.65200E+00 ppm1      2.214 ppm2      1.570
 ASSI (
   (( segid "    " and resid 92   and name HB2 ))
  OR 
   (( segid "    " and resid 53   and name HG2 ))
 )(
   (( segid "    " and resid 99   and name HD12))
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   (( segid "    " and resid 99   and name HD11))
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   (( segid "    " and resid 55   and name HG21))
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   (( segid "    " and resid 55   and name HG12))
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   (( segid "    " and resid 55   and name HG11))
  OR 
   (( segid "    " and resid 39   and name HG23))
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   (( segid "    " and resid 39   and name HG22))
  OR 
   (( segid "    " and resid 39   and name HG21))
 )
      3.200     1.300     1.300 peak   431 weight  0.10000E+01 volume  0.27900E+00 ppm1      2.210 ppm2      0.946
 ASSI (
   (( segid "    " and resid 92   and name HB2 ))
  OR 
   (( segid "    " and resid 53   and name HG2 ))
 )(
   (( segid "    " and resid 103  and name HB3 ))
  OR 
   (( segid "    " and resid 81   and name HD3 ))
 )
      3.200     1.300     1.300 peak   432 weight  0.10000E+01 volume  0.15700E+00 ppm1      2.215 ppm2      3.069
 ASSI (
   (( segid "    " and resid 53   and name HG2 ))
 )(
   (( segid "    " and resid 54   and name H   ))
  OR 
   (( segid "    " and resid 53   and name H   ))
 )
      2.500     0.800     0.800 peak   436 weight  0.10000E+01 volume  0.64100E+00 ppm1      2.215 ppm2      8.442
 ASSI (
   (( segid "    " and resid 26   and name HG  ))
 )(
   (( segid "    " and resid 26   and name HD23))
  OR 
   (( segid "    " and resid 26   and name HD22))
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   (( segid "    " and resid 26   and name HD21))
 )
      2.600     0.800     0.800 peak   455 weight  0.10000E+01 volume  0.91400E+00 ppm1      0.429 ppm2     -0.357
 ASSI (
   (( segid "    " and resid 26   and name HG  ))
 )(
   (( segid "    " and resid 26   and name HD13))
  OR 
   (( segid "    " and resid 26   and name HD12))
  OR 
   (( segid "    " and resid 26   and name HD11))
 )
      2.600     0.800     0.800 peak   456 weight  0.10000E+01 volume  0.11250E+01 ppm1      0.433 ppm2     -1.046
 ASSI (
   (( segid "    " and resid 24   and name HG23))
  OR 
   (( segid "    " and resid 24   and name HG22))
  OR 
   (( segid "    " and resid 24   and name HG21))
 )(
   (( segid "    " and resid 26   and name HD23))
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   (( segid "    " and resid 26   and name HD22))
  OR 
   (( segid "    " and resid 26   and name HD21))
 )
      3.000     1.100     1.100 peak   459 weight  0.10000E+01 volume  0.90900E+00 ppm1      0.324 ppm2     -0.351
 ASSI (
   (( segid "    " and resid 24   and name HG23))
  OR 
   (( segid "    " and resid 24   and name HG22))
  OR 
   (( segid "    " and resid 24   and name HG21))
 )(
   (( segid "    " and resid 26   and name HD13))
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   (( segid "    " and resid 26   and name HD12))
  OR 
   (( segid "    " and resid 26   and name HD11))
 )
      3.100     1.200     1.200 peak   460 weight  0.10000E+01 volume  0.63600E+00 ppm1      0.324 ppm2     -1.046
 ASSI (
   (( segid "    " and resid 24   and name HG23))
  OR 
   (( segid "    " and resid 24   and name HG22))
  OR 
   (( segid "    " and resid 24   and name HG21))
 )(
   (( segid "    " and resid 24   and name HA  ))
 )
      2.900     1.100     1.100 peak   461 weight  0.10000E+01 volume  0.87900E+00 ppm1      0.325 ppm2      4.175
 ASSI (
   (( segid "    " and resid 51   and name HG23))
  OR 
   (( segid "    " and resid 51   and name HG22))
  OR 
   (( segid "    " and resid 51   and name HG21))
  OR 
   (( segid "    " and resid 24   and name HG23))
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   (( segid "    " and resid 24   and name HG22))
 )(
   (( segid "    " and resid 86   and name HB3 ))
  OR 
   (( segid "    " and resid 25   and name HB3 ))
 )
      3.000     1.100     1.100 peak   464 weight  0.10000E+01 volume  0.43400E+00 ppm1      0.296 ppm2      3.124
 ASSI (
   (( segid "    " and resid 51   and name HG23))
  OR 
   (( segid "    " and resid 51   and name HG22))
  OR 
   (( segid "    " and resid 51   and name HG21))
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   (( segid "    " and resid 24   and name HG23))
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   (( segid "    " and resid 24   and name HG22))
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   (( segid "    " and resid 24   and name HG21))
 )(
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   (( segid "    " and resid 82   and name HE2 ))
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   (( segid "    " and resid 12   and name HE3 ))
  OR 
   (( segid "    " and resid 12   and name HE2 ))
 )
      3.400     1.400     1.400 peak   465 weight  0.10000E+01 volume  0.22000E+00 ppm1      0.304 ppm2      2.964
 ASSI (
   (( segid "    " and resid 51   and name HG23))
  OR 
   (( segid "    " and resid 51   and name HG22))
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   (( segid "    " and resid 51   and name HG21))
  OR 
   (( segid "    " and resid 24   and name HG23))
  OR 
   (( segid "    " and resid 24   and name HG22))
  OR 
   (( segid "    " and resid 24   and name HG21))
 )(
   (( segid "    " and resid 106  and name HB3 ))
  OR 
   (( segid "    " and resid 86   and name HB2 ))
 )
      3.200     1.300     1.300 peak   466 weight  0.10000E+01 volume  0.29400E+00 ppm1      0.297 ppm2      2.510
 ASSI (
   (( segid "    " and resid 51   and name HG23))
  OR 
   (( segid "    " and resid 51   and name HG22))
  OR 
   (( segid "    " and resid 51   and name HG21))
 )(
   (( segid "    " and resid 89   and name HG2 ))
  OR 
   (( segid "    " and resid 88   and name HB2 ))
  OR 
   (( segid "    " and resid 82   and name HB2 ))
  OR 
   (( segid "    " and resid 81   and name HB3 ))
  OR 
   (( segid "    " and resid 80   and name HB2 ))
 )
      3.100     1.200     1.200 peak   467 weight  0.10000E+01 volume  0.35000E+00 ppm1      0.298 ppm2      1.974
 ASSI (
   (( segid "    " and resid 24   and name HG23))
  OR 
   (( segid "    " and resid 24   and name HG22))
  OR 
   (( segid "    " and resid 24   and name HG21))
 )(
   (( segid "    " and resid 24   and name HB  ))
 )
      2.500     0.800     0.800 peak   468 weight  0.10000E+01 volume  0.12970E+01 ppm1      0.328 ppm2      1.362
 ASSI (
   (( segid "    " and resid 24   and name HG23))
  OR 
   (( segid "    " and resid 24   and name HG22))
  OR 
   (( segid "    " and resid 24   and name HG21))
 )(
   (( segid "    " and resid 24   and name HG12))
  OR 
   (( segid "    " and resid 22   and name HG23))
  OR 
   (( segid "    " and resid 22   and name HG22))
  OR 
   (( segid "    " and resid 22   and name HG21))
 )
      2.600     0.800     0.800 peak   469 weight  0.10000E+01 volume  0.96100E+00 ppm1      0.327 ppm2      1.121
 ASSI (
   (( segid "    " and resid 51   and name HG23))
  OR 
   (( segid "    " and resid 51   and name HG22))
  OR 
   (( segid "    " and resid 51   and name HG21))
  OR 
   (( segid "    " and resid 24   and name HG23))
  OR 
   (( segid "    " and resid 24   and name HG22))
  OR 
   (( segid "    " and resid 24   and name HG21))
 )(
   (( segid "    " and resid 51   and name HG12))
  OR 
   (( segid "    " and resid 22   and name HG23))
  OR 
   (( segid "    " and resid 22   and name HG22))
  OR 
   (( segid "    " and resid 22   and name HG21))
 )
      2.700     0.900     0.900 peak   470 weight  0.10000E+01 volume  0.75900E+00 ppm1      0.296 ppm2      1.078
 ASSI (
   (( segid "    " and resid 51   and name HG23))
  OR 
   (( segid "    " and resid 51   and name HG22))
  OR 
   (( segid "    " and resid 51   and name HG21))
 )(
   (( segid "    " and resid 82   and name HG3 ))
  OR 
   (( segid "    " and resid 82   and name HG2 ))
  OR 
   (( segid "    " and resid 82   and name HB3 ))
  OR 
   (( segid "    " and resid 52   and name HG  ))
  OR 
   (( segid "    " and resid 51   and name HG13))
 )
      2.200     0.600     0.600 peak   471 weight  0.10000E+01 volume  0.26780E+01 ppm1      0.296 ppm2      1.481
 ASSI (
   (( segid "    " and resid 51   and name HG23))
  OR 
   (( segid "    " and resid 51   and name HG22))
  OR 
   (( segid "    " and resid 51   and name HG21))
 )(
   (( segid "    " and resid 82   and name HD2 ))
  OR 
   (( segid "    " and resid 51   and name HB  ))
 )
      2.400     0.700     0.700 peak   472 weight  0.10000E+01 volume  0.16270E+01 ppm1      0.296 ppm2      1.757
 ASSI (
   (( segid "    " and resid 24   and name HG23))
  OR 
   (( segid "    " and resid 24   and name HG22))
  OR 
   (( segid "    " and resid 24   and name HG21))
 )(
   (( segid "    " and resid 24   and name HG13))
 )
      2.500     0.800     0.800 peak   474 weight  0.10000E+01 volume  0.11660E+01 ppm1      0.327 ppm2      0.907
 ASSI (
   (( segid "    " and resid 51   and name HG23))
  OR 
   (( segid "    " and resid 51   and name HG22))
  OR 
   (( segid "    " and resid 51   and name HG21))
  OR 
   (( segid "    " and resid 24   and name HG23))
  OR 
   (( segid "    " and resid 24   and name HG22))
  OR 
   (( segid "    " and resid 24   and name HG21))
 )(
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
  OR 
   (( segid "    " and resid 78   and name HG13))
  OR 
   (( segid "    " and resid 78   and name HG12))
  OR 
   (( segid "    " and resid 78   and name HG11))
  OR 
   (( segid "    " and resid 52   and name HD13))
  OR 
   (( segid "    " and resid 52   and name HD12))
  OR 
   (( segid "    " and resid 52   and name HD11))
  OR 
   (( segid "    " and resid 51   and name HD13))
  OR 
   (( segid "    " and resid 51   and name HD12))
  OR 
   (( segid "    " and resid 51   and name HD11))
 )
      2.400     0.700     0.700 peak   475 weight  0.10000E+01 volume  0.28790E+01 ppm1      0.297 ppm2      0.733
 ASSI (
   (( segid "    " and resid 24   and name HG23))
  OR 
   (( segid "    " and resid 24   and name HG22))
  OR 
   (( segid "    " and resid 24   and name HG21))
 )(
   (( segid "    " and resid 26   and name HB2 ))
  OR 
   (( segid "    " and resid 24   and name HD13))
  OR 
   (( segid "    " and resid 24   and name HD12))
  OR 
   (( segid "    " and resid 24   and name HD11))
 )
      2.500     0.800     0.800 peak   476 weight  0.10000E+01 volume  0.24020E+01 ppm1      0.326 ppm2      0.510
 ASSI (
   (( segid "    " and resid 51   and name HG23))
  OR 
   (( segid "    " and resid 51   and name HG22))
  OR 
   (( segid "    " and resid 51   and name HG21))
 )(
   (( segid "    " and resid 52   and name HA  ))
 )
      3.600     1.600     1.600 peak   478 weight  0.10000E+01 volume  0.22300E+00 ppm1      0.297 ppm2      4.633
 ASSI (
   (( segid "    " and resid 24   and name HG23))
  OR 
   (( segid "    " and resid 24   and name HG22))
  OR 
   (( segid "    " and resid 24   and name HG21))
 )(
   (( segid "    " and resid 106  and name HD2 ))
  OR 
   (( segid "    " and resid 106  and name HD1 ))
 )
      3.700     1.700     1.700 peak   479 weight  0.10000E+01 volume  0.22200E+00 ppm1      0.334 ppm2      6.697
 ASSI (
   (( segid "    " and resid 51   and name HG23))
  OR 
   (( segid "    " and resid 51   and name HG22))
  OR 
   (( segid "    " and resid 51   and name HG21))
  OR 
   (( segid "    " and resid 24   and name HG22))
  OR 
   (( segid "    " and resid 24   and name HG21))
 )(
   (( segid "    " and resid 86   and name HD2 ))
  OR 
   (( segid "    " and resid 36   and name HZ3 ))
 )
      4.200     2.200     1.800 peak   481 weight  0.10000E+01 volume  0.10500E+00 ppm1      0.291 ppm2      6.587
 ASSI (
   (( segid "    " and resid 51   and name HG23))
  OR 
   (( segid "    " and resid 51   and name HG22))
  OR 
   (( segid "    " and resid 51   and name HG21))
 )(
   (( segid "    " and resid 51   and name H   ))
 )
      3.200     1.300     1.300 peak   482 weight  0.10000E+01 volume  0.27100E+00 ppm1      0.296 ppm2      7.591
 ASSI (
   (( segid "    " and resid 51   and name HG23))
  OR 
   (( segid "    " and resid 51   and name HG22))
  OR 
   (( segid "    " and resid 51   and name HG21))
 )(
   (( segid "    " and resid 82   and name H   ))
 )
      3.300     1.400     1.400 peak   483 weight  0.10000E+01 volume  0.22100E+00 ppm1      0.298 ppm2      7.410
 ASSI (
   (( segid "    " and resid 24   and name HG23))
  OR 
   (( segid "    " and resid 24   and name HG22))
  OR 
   (( segid "    " and resid 24   and name HG21))
 )(
   (( segid "    " and resid 74   and name HD2 ))
  OR 
   (( segid "    " and resid 74   and name HD1 ))
 )
      4.200     2.200     1.800 peak   484 weight  0.10000E+01 volume  0.11100E+00 ppm1      0.308 ppm2      7.225
 ASSI (
   (( segid "    " and resid 51   and name HG23))
  OR 
   (( segid "    " and resid 51   and name HG22))
  OR 
   (( segid "    " and resid 51   and name HG21))
 )(
   (( segid "    " and resid 52   and name H   ))
 )
      3.100     1.200     1.200 peak   486 weight  0.10000E+01 volume  0.34400E+00 ppm1      0.296 ppm2      8.283
 ASSI (
   (( segid "    " and resid 24   and name HG23))
  OR 
   (( segid "    " and resid 24   and name HG22))
  OR 
   (( segid "    " and resid 24   and name HG21))
 )(
   (( segid "    " and resid 27   and name H   ))
  OR 
   (( segid "    " and resid 25   and name H   ))
 )
      2.700     0.900     0.900 peak   488 weight  0.10000E+01 volume  0.79400E+00 ppm1      0.326 ppm2      8.738
 ASSI (
   (( segid "    " and resid 24   and name HG23))
  OR 
   (( segid "    " and resid 24   and name HG22))
  OR 
   (( segid "    " and resid 24   and name HG21))
 )(
   (( segid "    " and resid 24   and name H   ))
 )
      3.100     1.200     1.200 peak   489 weight  0.10000E+01 volume  0.33900E+00 ppm1      0.323 ppm2      9.277
 ASSI (
   (( segid "    " and resid 51   and name HG22))
  OR 
   (( segid "    " and resid 51   and name HG21))
  OR 
   (( segid "    " and resid 24   and name HG23))
  OR 
   (( segid "    " and resid 24   and name HG22))
  OR 
   (( segid "    " and resid 24   and name HG21))
 )(
   (( segid "    " and resid 49   and name H   ))
  OR 
   (( segid "    " and resid 26   and name H   ))
 )
      3.500     1.500     1.500 peak   490 weight  0.10000E+01 volume  0.18100E+00 ppm1      0.324 ppm2      8.939
 ASSI (
   (( segid "    " and resid 51   and name HG23))
  OR 
   (( segid "    " and resid 51   and name HG22))
  OR 
   (( segid "    " and resid 51   and name HG21))
  OR 
   (( segid "    " and resid 24   and name HG23))
  OR 
   (( segid "    " and resid 24   and name HG22))
  OR 
   (( segid "    " and resid 24   and name HG21))
 )(
   (( segid "    " and resid 84   and name H   ))
  OR 
   (( segid "    " and resid 81   and name H   ))
  OR 
   (( segid "    " and resid 78   and name H   ))
 )
      3.500     1.500     1.500 peak   491 weight  0.10000E+01 volume  0.17900E+00 ppm1      0.297 ppm2      8.983
 ASSI (
   (( segid "    " and resid 26   and name HB2 ))
 )(
   (( segid "    " and resid 26   and name HD23))
  OR 
   (( segid "    " and resid 26   and name HD22))
  OR 
   (( segid "    " and resid 26   and name HD21))
 )
      3.100     1.200     1.200 peak   492 weight  0.10000E+01 volume  0.37600E+00 ppm1      0.489 ppm2     -0.345
 ASSI (
   (( segid "    " and resid 26   and name HB3 ))
 )(
   (( segid "    " and resid 26   and name HD23))
  OR 
   (( segid "    " and resid 26   and name HD22))
  OR 
   (( segid "    " and resid 26   and name HD21))
 )
      2.900     1.100     1.100 peak   493 weight  0.10000E+01 volume  0.54700E+00 ppm1      0.357 ppm2     -0.350
 ASSI (
   (( segid "    " and resid 26   and name HB2 ))
 )(
   (( segid "    " and resid 26   and name HD13))
  OR 
   (( segid "    " and resid 26   and name HD12))
  OR 
   (( segid "    " and resid 26   and name HD11))
 )
      2.900     1.100     1.100 peak   495 weight  0.10000E+01 volume  0.51500E+00 ppm1      0.486 ppm2     -1.036
 ASSI (
   (( segid "    " and resid 26   and name HB3 ))
 )(
   (( segid "    " and resid 26   and name HD13))
  OR 
   (( segid "    " and resid 26   and name HD12))
  OR 
   (( segid "    " and resid 26   and name HD11))
 )
      3.000     1.100     1.100 peak   496 weight  0.10000E+01 volume  0.44800E+00 ppm1      0.356 ppm2     -1.025
 ASSI (
   (( segid "    " and resid 34   and name HB3 ))
 )(
   (( segid "    " and resid 34   and name HD2 ))
  OR 
   (( segid "    " and resid 34   and name HD1 ))
 )
      2.800     1.000     1.000 peak   511 weight  0.10000E+01 volume  0.56200E+00 ppm1      0.587 ppm2      6.331
 ASSI (
   (( segid "    " and resid 34   and name HB2 ))
 )(
   (( segid "    " and resid 34   and name HE2 ))
  OR 
   (( segid "    " and resid 34   and name HE1 ))
 )
      4.000     2.000     2.000 peak   514 weight  0.10000E+01 volume  0.77000E-01 ppm1      2.062 ppm2      6.592
 ASSI (
   (( segid "    " and resid 34   and name HB2 ))
 )(
   (( segid "    " and resid 34   and name HD2 ))
  OR 
   (( segid "    " and resid 34   and name HD1 ))
 )
      2.600     0.800     0.800 peak   515 weight  0.10000E+01 volume  0.92000E+00 ppm1      2.066 ppm2      6.343
 ASSI (
   (( segid "    " and resid 107  and name HG23))
  OR 
   (( segid "    " and resid 107  and name HG22))
  OR 
   (( segid "    " and resid 107  and name HG21))
 )(
   (( segid "    " and resid 87   and name HG23))
  OR 
   (( segid "    " and resid 87   and name HG22))
  OR 
   (( segid "    " and resid 87   and name HG21))
 )
      2.500     0.800     0.800 peak   518 weight  0.10000E+01 volume  0.24370E+01 ppm1      0.475 ppm2      0.670
 ASSI (
   (( segid "    " and resid 107  and name HG23))
  OR 
   (( segid "    " and resid 107  and name HG22))
  OR 
   (( segid "    " and resid 107  and name HG21))
 )(
   (( segid "    " and resid 89   and name HG2 ))
  OR 
   (( segid "    " and resid 89   and name HB2 ))
  OR 
   (( segid "    " and resid 88   and name HB2 ))
 )
      2.700     0.900     0.900 peak   519 weight  0.10000E+01 volume  0.76100E+00 ppm1      0.476 ppm2      1.995
 ASSI (
   (( segid "    " and resid 107  and name HG23))
  OR 
   (( segid "    " and resid 107  and name HG22))
  OR 
   (( segid "    " and resid 107  and name HG21))
 )(
   (( segid "    " and resid 107  and name HA  ))
 )
      2.700     0.900     0.900 peak   523 weight  0.10000E+01 volume  0.12640E+01 ppm1      0.476 ppm2      4.983
 ASSI (
   (( segid "    " and resid 107  and name HG23))
  OR 
   (( segid "    " and resid 107  and name HG22))
  OR 
   (( segid "    " and resid 107  and name HG21))
 )(
   (( segid "    " and resid 108  and name HA  ))
  OR 
   (( segid "    " and resid 106  and name HA  ))
  OR 
   (( segid "    " and resid 10   and name HA  ))
 )
      3.500     1.500     1.500 peak   525 weight  0.10000E+01 volume  0.26100E+00 ppm1      0.475 ppm2      4.723
 ASSI (
   (( segid "    " and resid 107  and name HG23))
  OR 
   (( segid "    " and resid 107  and name HG22))
  OR 
   (( segid "    " and resid 107  and name HG21))
 )(
   (( segid "    " and resid 109  and name H   ))
  OR 
   (( segid "    " and resid 90   and name H   ))
  OR 
   (( segid "    " and resid 88   and name H   ))
 )
      3.000     1.100     1.100 peak   526 weight  0.10000E+01 volume  0.41200E+00 ppm1      0.476 ppm2      9.202
 ASSI (
   (( segid "    " and resid 107  and name HG23))
  OR 
   (( segid "    " and resid 107  and name HG22))
  OR 
   (( segid "    " and resid 107  and name HG21))
 )(
   (( segid "    " and resid 108  and name H   ))
 )
      2.800     1.000     1.000 peak   527 weight  0.10000E+01 volume  0.68400E+00 ppm1      0.475 ppm2      8.723
 ASSI (
   (( segid "    " and resid 107  and name HG23))
  OR 
   (( segid "    " and resid 107  and name HG22))
  OR 
   (( segid "    " and resid 107  and name HG21))
 )(
   (( segid "    " and resid 107  and name H   ))
 )
      3.200     1.300     1.300 peak   529 weight  0.10000E+01 volume  0.30000E+00 ppm1      0.477 ppm2      7.959
 ASSI (
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
  OR 
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
 )(
   (( segid "    " and resid 26   and name HD13))
  OR 
   (( segid "    " and resid 26   and name HD12))
  OR 
   (( segid "    " and resid 26   and name HD11))
 )
      2.800     1.000     1.000 peak   530 weight  0.10000E+01 volume  0.12150E+01 ppm1      0.556 ppm2     -1.047
 ASSI (
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
  OR 
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
 )(
   (( segid "    " and resid 56   and name HB2 ))
  OR 
   (( segid "    " and resid 38   and name HD3 ))
  OR 
   (( segid "    " and resid 38   and name HD2 ))
 )
      2.500     0.800     0.800 peak   531 weight  0.10000E+01 volume  0.12890E+01 ppm1      0.554 ppm2      2.383
 ASSI (
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
  OR 
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
  OR 
   (( segid "    " and resid 75   and name HG13))
  OR 
   (( segid "    " and resid 75   and name HG12))
  OR 
   (( segid "    " and resid 75   and name HG11))
 )(
   (( segid "    " and resid 88   and name HG  ))
  OR 
   (( segid "    " and resid 57   and name HG3 ))
  OR 
   (( segid "    " and resid 57   and name HG2 ))
  OR 
   (( segid "    " and resid 24   and name HB  ))
 )
      2.500     0.800     0.800 peak   533 weight  0.10000E+01 volume  0.11380E+01 ppm1      0.556 ppm2      1.354
 ASSI (
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
  OR 
   (( segid "    " and resid 75   and name HG13))
  OR 
   (( segid "    " and resid 75   and name HG12))
  OR 
   (( segid "    " and resid 75   and name HG11))
 )(
   (( segid "    " and resid 75   and name HA  ))
  OR 
   (( segid "    " and resid 55   and name HA  ))
 )
      2.500     0.800     0.800 peak   534 weight  0.10000E+01 volume  0.17920E+01 ppm1      0.552 ppm2      4.293
 ASSI (
   (( segid "    " and resid 54   and name HG13))
  OR 
   (( segid "    " and resid 54   and name HG12))
  OR 
   (( segid "    " and resid 54   and name HG11))
 )(
   (( segid "    " and resid 54   and name HA  ))
 )
      2.600     0.800     0.800 peak   535 weight  0.10000E+01 volume  0.16170E+01 ppm1      0.532 ppm2      4.837
 ASSI (
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
  OR 
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
 )(
   (( segid "    " and resid 76   and name HA  ))
 )
      2.300     0.700     0.700 peak   536 weight  0.10000E+01 volume  0.29880E+01 ppm1      0.563 ppm2      4.926
 ASSI (
   (( segid "    " and resid 75   and name HG13))
  OR 
   (( segid "    " and resid 75   and name HG12))
  OR 
   (( segid "    " and resid 75   and name HG11))
 )(
   (( segid "    " and resid 59   and name HB  ))
 )
      3.100     1.200     1.200 peak   537 weight  0.10000E+01 volume  0.35700E+00 ppm1      0.552 ppm2      3.744
 ASSI (
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
  OR 
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
  OR 
   (( segid "    " and resid 75   and name HG13))
  OR 
   (( segid "    " and resid 75   and name HG12))
  OR 
   (( segid "    " and resid 75   and name HG11))
 )(
   (( segid "    " and resid 23   and name HG3 ))
 )
      2.900     1.100     1.100 peak   538 weight  0.10000E+01 volume  0.52200E+00 ppm1      0.551 ppm2      2.048
 ASSI (
   (( segid "    " and resid 75   and name HG13))
  OR 
   (( segid "    " and resid 75   and name HG12))
  OR 
   (( segid "    " and resid 75   and name HG11))
 )(
   (( segid "    " and resid 75   and name HB  ))
 )
      2.200     0.600     0.600 peak   539 weight  0.10000E+01 volume  0.29200E+01 ppm1      0.552 ppm2      1.873
 ASSI (
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
  OR 
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
  OR 
   (( segid "    " and resid 75   and name HG12))
  OR 
   (( segid "    " and resid 75   and name HG11))
 )(
   (( segid "    " and resid 76   and name HB  ))
  OR 
   (( segid "    " and resid 57   and name HB3 ))
 )
      2.000     0.500     0.500 peak   540 weight  0.10000E+01 volume  0.44710E+01 ppm1      0.562 ppm2      1.720
 ASSI (
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
  OR 
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
 )(
   (( segid "    " and resid 56   and name HB3 ))
 )
      2.800     1.000     1.000 peak   541 weight  0.10000E+01 volume  0.64000E+00 ppm1      0.573 ppm2      2.985
 ASSI (
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
  OR 
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG11))
  OR 
   (( segid "    " and resid 75   and name HG13))
  OR 
   (( segid "    " and resid 75   and name HG12))
  OR 
   (( segid "    " and resid 75   and name HG11))
 )(
   (( segid "    " and resid 74   and name HB2 ))
  OR 
   (( segid "    " and resid 25   and name HB2 ))
 )
      3.100     1.200     1.200 peak   543 weight  0.10000E+01 volume  0.36800E+00 ppm1      0.554 ppm2      2.778
 ASSI (
   (( segid "    " and resid 75   and name HG13))
  OR 
   (( segid "    " and resid 75   and name HG12))
  OR 
   (( segid "    " and resid 75   and name HG11))
 )(
   (( segid "    " and resid 25   and name HD2 ))
 )
      3.400     1.400     1.400 peak   544 weight  0.10000E+01 volume  0.40600E+00 ppm1      0.551 ppm2      6.893
 ASSI (
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
  OR 
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
 )(
   (( segid "    " and resid 36   and name HZ3 ))
 )
      4.200     2.200     1.800 peak   545 weight  0.10000E+01 volume  0.98000E-01 ppm1      0.546 ppm2      6.535
 ASSI (
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
  OR 
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
 )(
   (( segid "    " and resid 77   and name H   ))
  OR 
   (( segid "    " and resid 26   and name H   ))
 )
      2.700     0.900     0.900 peak   546 weight  0.10000E+01 volume  0.87100E+00 ppm1      0.582 ppm2      8.929
 ASSI (
   (( segid "    " and resid 54   and name HG13))
  OR 
   (( segid "    " and resid 54   and name HG12))
  OR 
   (( segid "    " and resid 54   and name HG11))
 )(
   (( segid "    " and resid 55   and name H   ))
 )
      2.700     0.900     0.900 peak   547 weight  0.10000E+01 volume  0.84700E+00 ppm1      0.531 ppm2      8.614
 ASSI (
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
 )(
   (( segid "    " and resid 55   and name H   ))
 )
      3.200     1.300     1.300 peak   548 weight  0.10000E+01 volume  0.26900E+00 ppm1      0.580 ppm2      8.601
 ASSI (
   (( segid "    " and resid 75   and name HG13))
  OR 
   (( segid "    " and resid 75   and name HG12))
  OR 
   (( segid "    " and resid 75   and name HG11))
  OR 
   (( segid "    " and resid 54   and name HG13))
  OR 
   (( segid "    " and resid 54   and name HG12))
  OR 
   (( segid "    " and resid 54   and name HG11))
 )(
   (( segid "    " and resid 59   and name H   ))
  OR 
   (( segid "    " and resid 54   and name H   ))
  OR 
   (( segid "    " and resid 53   and name H   ))
 )
      3.300     1.400     1.400 peak   549 weight  0.10000E+01 volume  0.22900E+00 ppm1      0.536 ppm2      8.453
 ASSI (
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
  OR 
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
  OR 
   (( segid "    " and resid 75   and name HG13))
  OR 
   (( segid "    " and resid 75   and name HG12))
 )(
   (( segid "    " and resid 76   and name H   ))
 )
      2.300     0.700     0.700 peak   550 weight  0.10000E+01 volume  0.18690E+01 ppm1      0.554 ppm2      9.201
 ASSI (
   (( segid "    " and resid 75   and name HG13))
  OR 
   (( segid "    " and resid 75   and name HG12))
  OR 
   (( segid "    " and resid 75   and name HG11))
 )(
   (( segid "    " and resid 75   and name H   ))
 )
      2.300     0.700     0.700 peak   551 weight  0.10000E+01 volume  0.19740E+01 ppm1      0.555 ppm2      8.874
 ASSI (
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
  OR 
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
 )(
   (( segid "    " and resid 56   and name HA  ))
 )
      2.700     0.900     0.900 peak   552 weight  0.10000E+01 volume  0.12240E+01 ppm1      0.560 ppm2      5.345
 ASSI (
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
  OR 
   (( segid "    " and resid 75   and name HG13))
  OR 
   (( segid "    " and resid 75   and name HG12))
  OR 
   (( segid "    " and resid 75   and name HG11))
 )(
   (( segid "    " and resid 25   and name HA  ))
 )
      3.300     1.400     1.400 peak   554 weight  0.10000E+01 volume  0.37100E+00 ppm1      0.553 ppm2      5.569
 ASSI (
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
  OR 
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
  OR 
   (( segid "    " and resid 75   and name HG13))
  OR 
   (( segid "    " and resid 75   and name HG12))
  OR 
   (( segid "    " and resid 75   and name HG11))
 )(
   (( segid "    " and resid 77   and name HB3 ))
  OR 
   (( segid "    " and resid 73   and name HG13))
  OR 
   (( segid "    " and resid 38   and name HB3 ))
 )
      2.800     1.000     1.000 peak   555 weight  0.10000E+01 volume  0.58300E+00 ppm1      0.548 ppm2      1.180
 ASSI (
   (( segid "    " and resid 54   and name HG23))
  OR 
   (( segid "    " and resid 54   and name HG22))
  OR 
   (( segid "    " and resid 54   and name HG21))
 )(
   (( segid "    " and resid 54   and name HB  ))
  OR 
   (( segid "    " and resid 52   and name HB2 ))
 )
      2.100     0.600     0.600 peak   558 weight  0.10000E+01 volume  0.33490E+01 ppm1      0.616 ppm2      1.570
 ASSI (
   (( segid "    " and resid 90   and name HD23))
  OR 
   (( segid "    " and resid 90   and name HD22))
  OR 
   (( segid "    " and resid 90   and name HD21))
 )(
   (( segid "    " and resid 90   and name HG  ))
 )
      2.300     0.700     0.700 peak   559 weight  0.10000E+01 volume  0.18760E+01 ppm1      0.661 ppm2      1.560
 ASSI (
   (( segid "    " and resid 54   and name HG23))
  OR 
   (( segid "    " and resid 54   and name HG22))
  OR 
   (( segid "    " and resid 54   and name HG21))
 )(
   (( segid "    " and resid 51   and name HG12))
  OR 
   (( segid "    " and resid 47   and name HB2 ))
 )
      2.900     1.100     1.100 peak   560 weight  0.10000E+01 volume  0.50200E+00 ppm1      0.616 ppm2      1.091
 ASSI (
   (( segid "    " and resid 54   and name HG23))
  OR 
   (( segid "    " and resid 54   and name HG22))
  OR 
   (( segid "    " and resid 54   and name HG21))
 )(
   (( segid "    " and resid 38   and name HD3 ))
  OR 
   (( segid "    " and resid 38   and name HD2 ))
 )
      2.700     0.900     0.900 peak   561 weight  0.10000E+01 volume  0.86200E+00 ppm1      0.616 ppm2      2.386
 ASSI (
   (( segid "    " and resid 54   and name HG23))
  OR 
   (( segid "    " and resid 54   and name HG22))
  OR 
   (( segid "    " and resid 54   and name HG21))
 )(
   (( segid "    " and resid 78   and name HA  ))
 )
      3.400     1.400     1.400 peak   562 weight  0.10000E+01 volume  0.29500E+00 ppm1      0.613 ppm2      5.083
 ASSI (
   (( segid "    " and resid 54   and name HG23))
  OR 
   (( segid "    " and resid 54   and name HG22))
  OR 
   (( segid "    " and resid 54   and name HG21))
 )(
   (( segid "    " and resid 54   and name HA  ))
 )
      2.800     1.000     1.000 peak   563 weight  0.10000E+01 volume  0.10890E+01 ppm1      0.615 ppm2      4.835
 ASSI (
   (( segid "    " and resid 54   and name HG23))
  OR 
   (( segid "    " and resid 54   and name HG22))
  OR 
   (( segid "    " and resid 54   and name HG21))
 )(
   (( segid "    " and resid 53   and name HA  ))
  OR 
   (( segid "    " and resid 48   and name HA  ))
 )
      3.100     1.200     1.200 peak   564 weight  0.10000E+01 volume  0.54700E+00 ppm1      0.614 ppm2      4.573
 ASSI (
   (( segid "    " and resid 54   and name HG23))
  OR 
   (( segid "    " and resid 54   and name HG22))
  OR 
   (( segid "    " and resid 54   and name HG21))
 )(
   (( segid "    " and resid 79   and name H   ))
  OR 
   (( segid "    " and resid 57   and name H   ))
 )
      3.400     1.400     1.400 peak   566 weight  0.10000E+01 volume  0.19000E+00 ppm1      0.616 ppm2      9.056
 ASSI (
   (( segid "    " and resid 54   and name HG23))
  OR 
   (( segid "    " and resid 54   and name HG22))
  OR 
   (( segid "    " and resid 54   and name HG21))
 )(
   (( segid "    " and resid 77   and name H   ))
  OR 
   (( segid "    " and resid 49   and name H   ))
 )
      3.300     1.400     1.400 peak   567 weight  0.10000E+01 volume  0.23500E+00 ppm1      0.615 ppm2      8.901
 ASSI (
   (( segid "    " and resid 54   and name HG23))
  OR 
   (( segid "    " and resid 54   and name HG22))
  OR 
   (( segid "    " and resid 54   and name HG21))
 )(
   (( segid "    " and resid 55   and name H   ))
 )
      3.200     1.300     1.300 peak   568 weight  0.10000E+01 volume  0.31600E+00 ppm1      0.618 ppm2      8.614
 ASSI (
   (( segid "    " and resid 54   and name HG23))
  OR 
   (( segid "    " and resid 54   and name HG22))
  OR 
   (( segid "    " and resid 54   and name HG21))
 )(
   (( segid "    " and resid 54   and name H   ))
 )
      2.900     1.100     1.100 peak   569 weight  0.10000E+01 volume  0.52000E+00 ppm1      0.615 ppm2      8.447
 ASSI (
   (( segid "    " and resid 54   and name HG23))
  OR 
   (( segid "    " and resid 54   and name HG22))
  OR 
   (( segid "    " and resid 54   and name HG21))
 )(
   (( segid "    " and resid 52   and name H   ))
 )
      3.700     1.700     1.700 peak   570 weight  0.10000E+01 volume  0.11300E+00 ppm1      0.610 ppm2      8.276
 ASSI (
   (( segid "    " and resid 54   and name HG23))
  OR 
   (( segid "    " and resid 54   and name HG22))
  OR 
   (( segid "    " and resid 54   and name HG21))
 )(
   (( segid "    " and resid 89   and name HG3 ))
  OR 
   (( segid "    " and resid 80   and name HB3 ))
  OR 
   (( segid "    " and resid 53   and name HG2 ))
  OR 
   (( segid "    " and resid 53   and name HB3 ))
  OR 
   (( segid "    " and resid 46   and name HB  ))
 )
      3.400     1.400     1.400 peak   572 weight  0.10000E+01 volume  0.18500E+00 ppm1      0.615 ppm2      2.176
 ASSI (
   (( segid "    " and resid 54   and name HG23))
  OR 
   (( segid "    " and resid 54   and name HG22))
  OR 
   (( segid "    " and resid 54   and name HG21))
 )(
   (( segid "    " and resid 89   and name HG2 ))
  OR 
   (( segid "    " and resid 89   and name HB2 ))
  OR 
   (( segid "    " and resid 88   and name HB2 ))
  OR 
   (( segid "    " and resid 53   and name HG3 ))
  OR 
   (( segid "    " and resid 38   and name HG2 ))
 )
      3.300     1.400     1.400 peak   573 weight  0.10000E+01 volume  0.24800E+00 ppm1      0.617 ppm2      1.969
 ASSI (
   (( segid "    " and resid 54   and name HG23))
  OR 
   (( segid "    " and resid 54   and name HG22))
  OR 
   (( segid "    " and resid 54   and name HG21))
 )(
   (( segid "    " and resid 90   and name HB2 ))
  OR 
   (( segid "    " and resid 80   and name HG2 ))
  OR 
   (( segid "    " and resid 76   and name HB  ))
  OR 
   (( segid "    " and resid 51   and name HB  ))
  OR 
   (( segid "    " and resid 38   and name HG2 ))
 )
      2.900     1.100     1.100 peak   574 weight  0.10000E+01 volume  0.55300E+00 ppm1      0.618 ppm2      1.765
 ASSI (
   (( segid "    " and resid 54   and name HG23))
  OR 
   (( segid "    " and resid 54   and name HG22))
  OR 
   (( segid "    " and resid 54   and name HG21))
 )(
   (( segid "    " and resid 88   and name HD23))
  OR 
   (( segid "    " and resid 88   and name HD22))
  OR 
   (( segid "    " and resid 88   and name HD21))
  OR 
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
  OR 
   (( segid "    " and resid 78   and name HG23))
  OR 
   (( segid "    " and resid 78   and name HG22))
  OR 
   (( segid "    " and resid 78   and name HG21))
  OR 
   (( segid "    " and resid 78   and name HG12))
  OR 
   (( segid "    " and resid 78   and name HG11))
 )
      2.200     0.600     0.600 peak   575 weight  0.10000E+01 volume  0.51740E+01 ppm1      0.615 ppm2      0.786
 ASSI (
   (( segid "    " and resid 93   and name HG23))
  OR 
   (( segid "    " and resid 93   and name HG22))
  OR 
   (( segid "    " and resid 93   and name HG21))
 )(
   (( segid "    " and resid 99   and name HG12))
  OR 
   (( segid "    " and resid 42   and name HG23))
  OR 
   (( segid "    " and resid 42   and name HG22))
  OR 
   (( segid "    " and resid 42   and name HG21))
  OR 
   (( segid "    " and resid 37   and name HG22))
 )
      2.200     0.600     0.600 peak   576 weight  0.10000E+01 volume  0.32780E+01 ppm1      0.649 ppm2      1.018
 ASSI (
   (( segid "    " and resid 93   and name HG23))
  OR 
   (( segid "    " and resid 93   and name HG22))
  OR 
   (( segid "    " and resid 93   and name HG21))
 )(
   (( segid "    " and resid 99   and name HG23))
  OR 
   (( segid "    " and resid 99   and name HG21))
  OR 
   (( segid "    " and resid 42   and name HG13))
  OR 
   (( segid "    " and resid 42   and name HG12))
  OR 
   (( segid "    " and resid 42   and name HG11))
 )
      2.500     0.800     0.800 peak   577 weight  0.10000E+01 volume  0.24960E+01 ppm1      0.648 ppm2      0.836
 ASSI (
   (( segid "    " and resid 93   and name HG23))
  OR 
   (( segid "    " and resid 93   and name HG22))
  OR 
   (( segid "    " and resid 93   and name HG21))
 )(
   (( segid "    " and resid 95   and name HG3 ))
  OR 
   (( segid "    " and resid 35   and name HG2 ))
  OR 
   (( segid "    " and resid 35   and name HB3 ))
 )
      2.800     1.000     1.000 peak   578 weight  0.10000E+01 volume  0.62200E+00 ppm1      0.648 ppm2      2.160
 ASSI (
   (( segid "    " and resid 93   and name HG23))
  OR 
   (( segid "    " and resid 93   and name HG22))
  OR 
   (( segid "    " and resid 93   and name HG21))
 )(
   (( segid "    " and resid 95   and name HB3 ))
  OR 
   (( segid "    " and resid 42   and name HB  ))
 )
      2.200     0.600     0.600 peak   579 weight  0.10000E+01 volume  0.24540E+01 ppm1      0.648 ppm2      2.080
 ASSI (
   (( segid "    " and resid 93   and name HG23))
  OR 
   (( segid "    " and resid 93   and name HG22))
  OR 
   (( segid "    " and resid 93   and name HG21))
 )(
   (( segid "    " and resid 95   and name HB2 ))
  OR 
   (( segid "    " and resid 35   and name HB2 ))
 )
      3.200     1.300     1.300 peak   580 weight  0.10000E+01 volume  0.27400E+00 ppm1      0.651 ppm2      1.873
 ASSI (
   (( segid "    " and resid 93   and name HG23))
  OR 
   (( segid "    " and resid 93   and name HG22))
  OR 
   (( segid "    " and resid 93   and name HG21))
 )(
   (( segid "    " and resid 99   and name HG13))
  OR 
   (( segid "    " and resid 95   and name HG2 ))
 )
      2.800     1.000     1.000 peak   581 weight  0.10000E+01 volume  0.62600E+00 ppm1      0.650 ppm2      1.709
 ASSI (
   (( segid "    " and resid 93   and name HG23))
  OR 
   (( segid "    " and resid 93   and name HG22))
  OR 
   (( segid "    " and resid 93   and name HG21))
 )(
   (( segid "    " and resid 95   and name HD3 ))
  OR 
   (( segid "    " and resid 37   and name HB  ))
 )
      2.900     1.100     1.100 peak   583 weight  0.10000E+01 volume  0.56100E+00 ppm1      0.648 ppm2      4.038
 ASSI (
   (( segid "    " and resid 93   and name HG23))
  OR 
   (( segid "    " and resid 93   and name HG22))
  OR 
   (( segid "    " and resid 93   and name HG21))
 )(
   (( segid "    " and resid 95   and name HD2 ))
 )
      2.800     1.000     1.000 peak   584 weight  0.10000E+01 volume  0.70800E+00 ppm1      0.648 ppm2      3.783
 ASSI (
   (( segid "    " and resid 93   and name HG23))
  OR 
   (( segid "    " and resid 93   and name HG22))
  OR 
   (( segid "    " and resid 93   and name HG21))
 )(
   (( segid "    " and resid 95   and name HA  ))
 )
      3.300     1.400     1.400 peak   585 weight  0.10000E+01 volume  0.38700E+00 ppm1      0.652 ppm2      3.856
 ASSI (
   (( segid "    " and resid 93   and name HG23))
  OR 
   (( segid "    " and resid 93   and name HG22))
  OR 
   (( segid "    " and resid 93   and name HG21))
 )(
   (( segid "    " and resid 96   and name HA  ))
  OR 
   (( segid "    " and resid 92   and name HA  ))
 )
      3.600     1.600     1.600 peak   586 weight  0.10000E+01 volume  0.20500E+00 ppm1      0.647 ppm2      4.364
 ASSI (
   (( segid "    " and resid 93   and name HG23))
  OR 
   (( segid "    " and resid 93   and name HG22))
  OR 
   (( segid "    " and resid 93   and name HG21))
 )(
   (( segid "    " and resid 94   and name HA  ))
 )
      3.300     1.400     1.400 peak   587 weight  0.10000E+01 volume  0.34700E+00 ppm1      0.651 ppm2      4.740
 ASSI (
   (( segid "    " and resid 93   and name HG23))
  OR 
   (( segid "    " and resid 93   and name HG22))
  OR 
   (( segid "    " and resid 93   and name HG21))
 )(
   (( segid "    " and resid 93   and name HA  ))
  OR 
   (( segid "    " and resid 35   and name HA  ))
 )
      3.400     1.400     1.400 peak   588 weight  0.10000E+01 volume  0.30100E+00 ppm1      0.650 ppm2      4.569
 ASSI (
   (( segid "    " and resid 93   and name HG23))
  OR 
   (( segid "    " and resid 93   and name HG22))
  OR 
   (( segid "    " and resid 93   and name HG21))
 )(
   (( segid "    " and resid 91   and name HA  ))
  OR 
   (( segid "    " and resid 38   and name HA  ))
  OR 
   (( segid "    " and resid 36   and name HA  ))
 )
      4.000     2.000     2.000 peak   589 weight  0.10000E+01 volume  0.12500E+00 ppm1      0.656 ppm2      5.167
 ASSI (
   (( segid "    " and resid 93   and name HG23))
  OR 
   (( segid "    " and resid 93   and name HG22))
  OR 
   (( segid "    " and resid 93   and name HG21))
 )(
   (( segid "    " and resid 94   and name H   ))
  OR 
   (( segid "    " and resid 93   and name H   ))
 )
      2.500     0.800     0.800 peak   590 weight  0.10000E+01 volume  0.13010E+01 ppm1      0.648 ppm2      8.200
 ASSI (
   (( segid "    " and resid 73   and name HG23))
  OR 
   (( segid "    " and resid 73   and name HG22))
  OR 
   (( segid "    " and resid 73   and name HG21))
 )(
   (( segid "    " and resid 73   and name HD13))
  OR 
   (( segid "    " and resid 73   and name HD12))
  OR 
   (( segid "    " and resid 73   and name HD11))
 )
      2.500     0.800     0.800 peak   591 weight  0.10000E+01 volume  0.25630E+01 ppm1      0.660 ppm2      0.508
 ASSI (
   (( segid "    " and resid 73   and name HG23))
  OR 
   (( segid "    " and resid 73   and name HG22))
  OR 
   (( segid "    " and resid 73   and name HG21))
 )(
   (( segid "    " and resid 73   and name HG12))
  OR 
   (( segid "    " and resid 59   and name HG23))
  OR 
   (( segid "    " and resid 59   and name HG22))
  OR 
   (( segid "    " and resid 59   and name HG21))
 )
      2.600     0.800     0.800 peak   592 weight  0.10000E+01 volume  0.10060E+01 ppm1      0.659 ppm2      0.955
 ASSI (
   (( segid "    " and resid 73   and name HG23))
  OR 
   (( segid "    " and resid 73   and name HG22))
  OR 
   (( segid "    " and resid 73   and name HG21))
 )(
   (( segid "    " and resid 73   and name HB  ))
 )
      2.400     0.700     0.700 peak   596 weight  0.10000E+01 volume  0.18400E+01 ppm1      0.662 ppm2      1.577
 ASSI (
   (( segid "    " and resid 73   and name HG23))
  OR 
   (( segid "    " and resid 73   and name HG22))
  OR 
   (( segid "    " and resid 73   and name HG21))
 )(
   (( segid "    " and resid 76   and name HB  ))
  OR 
   (( segid "    " and resid 57   and name HB2 ))
  OR 
   (( segid "    " and resid 27   and name HD3 ))
  OR 
   (( segid "    " and resid 27   and name HD2 ))
  OR 
   (( segid "    " and resid 23   and name HG2 ))
 )
      3.600     1.600     1.600 peak   597 weight  0.10000E+01 volume  0.15500E+00 ppm1      0.658 ppm2      1.761
 ASSI (
   (( segid "    " and resid 73   and name HG23))
  OR 
   (( segid "    " and resid 73   and name HG22))
  OR 
   (( segid "    " and resid 73   and name HG21))
 )(
   (( segid "    " and resid 75   and name HB  ))
  OR 
   (( segid "    " and resid 27   and name HB2 ))
 )
      3.300     1.400     1.400 peak   598 weight  0.10000E+01 volume  0.23700E+00 ppm1      0.662 ppm2      1.900
 ASSI (
   (( segid "    " and resid 73   and name HG23))
  OR 
   (( segid "    " and resid 73   and name HG22))
  OR 
   (( segid "    " and resid 73   and name HG21))
 )(
   (( segid "    " and resid 30   and name HD2 ))
  OR 
   (( segid "    " and resid 25   and name HB3 ))
 )
      3.000     1.100     1.100 peak   599 weight  0.10000E+01 volume  0.41500E+00 ppm1      0.661 ppm2      3.147
 ASSI (
   (( segid "    " and resid 73   and name HG23))
  OR 
   (( segid "    " and resid 73   and name HG22))
  OR 
   (( segid "    " and resid 73   and name HG21))
 )(
   (( segid "    " and resid 74   and name HB2 ))
  OR 
   (( segid "    " and resid 25   and name HB2 ))
 )
      2.800     1.000     1.000 peak   600 weight  0.10000E+01 volume  0.60000E+00 ppm1      0.661 ppm2      2.744
 ASSI (
   (( segid "    " and resid 73   and name HG23))
  OR 
   (( segid "    " and resid 73   and name HG22))
  OR 
   (( segid "    " and resid 73   and name HG21))
 )(
   (( segid "    " and resid 73   and name HA  ))
 )
      2.700     0.900     0.900 peak   601 weight  0.10000E+01 volume  0.13560E+01 ppm1      0.662 ppm2      4.833
 ASSI (
   (( segid "    " and resid 73   and name HG23))
  OR 
   (( segid "    " and resid 73   and name HG22))
  OR 
   (( segid "    " and resid 73   and name HG21))
 )(
   (( segid "    " and resid 59   and name HA  ))
  OR 
   (( segid "    " and resid 26   and name HA  ))
 )
      4.000     2.000     2.000 peak   602 weight  0.10000E+01 volume  0.11000E+00 ppm1      0.663 ppm2      4.444
 ASSI (
   (( segid "    " and resid 73   and name HG23))
  OR 
   (( segid "    " and resid 73   and name HG22))
  OR 
   (( segid "    " and resid 73   and name HG21))
 )(
   (( segid "    " and resid 75   and name HA  ))
  OR 
   (( segid "    " and resid 60   and name HA  ))
 )
      3.700     1.700     1.700 peak   603 weight  0.10000E+01 volume  0.19000E+00 ppm1      0.660 ppm2      4.325
 ASSI (
   (( segid "    " and resid 73   and name HG23))
  OR 
   (( segid "    " and resid 73   and name HG22))
  OR 
   (( segid "    " and resid 73   and name HG21))
 )(
   (( segid "    " and resid 25   and name HA  ))
 )
      3.400     1.400     1.400 peak   604 weight  0.10000E+01 volume  0.29700E+00 ppm1      0.660 ppm2      5.563
 ASSI (
   (( segid "    " and resid 73   and name HG23))
  OR 
   (( segid "    " and resid 73   and name HG22))
  OR 
   (( segid "    " and resid 73   and name HG21))
 )(
   (( segid "    " and resid 74   and name H   ))
 )
      3.200     1.300     1.300 peak   605 weight  0.10000E+01 volume  0.30900E+00 ppm1      0.661 ppm2      9.427
 ASSI (
   (( segid "    " and resid 73   and name HG23))
  OR 
   (( segid "    " and resid 73   and name HG22))
  OR 
   (( segid "    " and resid 73   and name HG21))
 )(
   (( segid "    " and resid 26   and name H   ))
 )
      3.100     1.200     1.200 peak   606 weight  0.10000E+01 volume  0.33700E+00 ppm1      0.662 ppm2      8.910
 ASSI (
   (( segid "    " and resid 73   and name HG23))
  OR 
   (( segid "    " and resid 73   and name HG22))
  OR 
   (( segid "    " and resid 73   and name HG21))
 )(
   (( segid "    " and resid 73   and name H   ))
 )
      3.400     1.400     1.400 peak   608 weight  0.10000E+01 volume  0.21100E+00 ppm1      0.662 ppm2      7.769
 ASSI (
   (( segid "    " and resid 73   and name HG23))
  OR 
   (( segid "    " and resid 73   and name HG22))
  OR 
   (( segid "    " and resid 73   and name HG21))
 )(
   (( segid "    " and resid 27   and name H   ))
  OR 
   (( segid "    " and resid 25   and name H   ))
 )
      3.800     1.800     1.800 peak   609 weight  0.10000E+01 volume  0.10200E+00 ppm1      0.665 ppm2      8.738
 ASSI (
   (( segid "    " and resid 91   and name HG13))
  OR 
   (( segid "    " and resid 91   and name HG12))
  OR 
   (( segid "    " and resid 91   and name HG11))
 )(
   (( segid "    " and resid 99   and name HG12))
  OR 
   (( segid "    " and resid 42   and name HG23))
  OR 
   (( segid "    " and resid 42   and name HG22))
  OR 
   (( segid "    " and resid 42   and name HG21))
  OR 
   (( segid "    " and resid 37   and name HG22))
  OR 
   (( segid "    " and resid 37   and name HG21))
 )
      2.300     0.700     0.700 peak   611 weight  0.10000E+01 volume  0.29470E+01 ppm1      0.738 ppm2      1.029
 ASSI (
   (( segid "    " and resid 91   and name HG13))
  OR 
   (( segid "    " and resid 91   and name HG12))
  OR 
   (( segid "    " and resid 91   and name HG11))
 )(
   (( segid "    " and resid 99   and name HD13))
  OR 
   (( segid "    " and resid 99   and name HD12))
  OR 
   (( segid "    " and resid 99   and name HD11))
  OR 
   (( segid "    " and resid 91   and name HG23))
  OR 
   (( segid "    " and resid 91   and name HG22))
  OR 
   (( segid "    " and resid 91   and name HG21))
  OR 
   (( segid "    " and resid 39   and name HG23))
  OR 
   (( segid "    " and resid 39   and name HG22))
  OR 
   (( segid "    " and resid 39   and name HG21))
 )
      2.100     0.600     0.600 peak   612 weight  0.10000E+01 volume  0.61350E+01 ppm1      0.739 ppm2      0.905
 ASSI (
   (( segid "    " and resid 91   and name HG13))
  OR 
   (( segid "    " and resid 91   and name HG12))
  OR 
   (( segid "    " and resid 91   and name HG11))
 )(
   (( segid "    " and resid 38   and name HB3 ))
 )
      3.600     1.600     1.600 peak   614 weight  0.10000E+01 volume  0.13800E+00 ppm1      0.740 ppm2      1.219
 ASSI (
   (( segid "    " and resid 91   and name HG13))
  OR 
   (( segid "    " and resid 91   and name HG12))
  OR 
   (( segid "    " and resid 91   and name HG11))
 )(
   (( segid "    " and resid 91   and name HB  ))
 )
      2.200     0.600     0.600 peak   615 weight  0.10000E+01 volume  0.27460E+01 ppm1      0.739 ppm2      1.787
 ASSI (
   (( segid "    " and resid 91   and name HG13))
  OR 
   (( segid "    " and resid 91   and name HG12))
  OR 
   (( segid "    " and resid 91   and name HG11))
 )(
   (( segid "    " and resid 95   and name HG3 ))
  OR 
   (( segid "    " and resid 89   and name HG3 ))
  OR 
   (( segid "    " and resid 35   and name HG2 ))
  OR 
   (( segid "    " and resid 35   and name HB3 ))
 )
      3.300     1.400     1.400 peak   616 weight  0.10000E+01 volume  0.22900E+00 ppm1      0.739 ppm2      2.163
 ASSI (
   (( segid "    " and resid 91   and name HG13))
  OR 
   (( segid "    " and resid 91   and name HG12))
  OR 
   (( segid "    " and resid 91   and name HG11))
 )(
   (( segid "    " and resid 104  and name HB3 ))
  OR 
   (( segid "    " and resid 89   and name HB2 ))
  OR 
   (( segid "    " and resid 42   and name HB  ))
  OR 
   (( segid "    " and resid 39   and name HB  ))
  OR 
   (( segid "    " and resid 38   and name HG2 ))
 )
      3.000     1.100     1.100 peak   617 weight  0.10000E+01 volume  0.46700E+00 ppm1      0.742 ppm2      2.018
 ASSI (
   (( segid "    " and resid 91   and name HG13))
  OR 
   (( segid "    " and resid 91   and name HG12))
  OR 
   (( segid "    " and resid 91   and name HG11))
 )(
   (( segid "    " and resid 93   and name HB  ))
  OR 
   (( segid "    " and resid 39   and name HA  ))
 )
      2.800     1.000     1.000 peak   618 weight  0.10000E+01 volume  0.96300E+00 ppm1      0.740 ppm2      3.463
 ASSI (
   (( segid "    " and resid 91   and name HG13))
  OR 
   (( segid "    " and resid 91   and name HG12))
  OR 
   (( segid "    " and resid 91   and name HG11))
 )(
   (( segid "    " and resid 90   and name HA  ))
 )
      3.300     1.400     1.400 peak   620 weight  0.10000E+01 volume  0.33800E+00 ppm1      0.739 ppm2      5.665
 ASSI (
   (( segid "    " and resid 91   and name HG13))
  OR 
   (( segid "    " and resid 91   and name HG12))
  OR 
   (( segid "    " and resid 91   and name HG11))
 )(
   (( segid "    " and resid 91   and name HA  ))
  OR 
   (( segid "    " and resid 38   and name HA  ))
 )
      3.000     1.100     1.100 peak   621 weight  0.10000E+01 volume  0.67900E+00 ppm1      0.739 ppm2      5.177
 ASSI (
   (( segid "    " and resid 91   and name HG13))
  OR 
   (( segid "    " and resid 91   and name HG12))
  OR 
   (( segid "    " and resid 91   and name HG11))
 )(
   (( segid "    " and resid 91   and name H   ))
 )
      2.500     0.800     0.800 peak   622 weight  0.10000E+01 volume  0.11340E+01 ppm1      0.739 ppm2      9.417
 ASSI (
   (( segid "    " and resid 91   and name HG13))
  OR 
   (( segid "    " and resid 91   and name HG12))
  OR 
   (( segid "    " and resid 91   and name HG11))
 )(
   (( segid "    " and resid 37   and name H   ))
 )
      3.400     1.400     1.400 peak   623 weight  0.10000E+01 volume  0.19300E+00 ppm1      0.740 ppm2      9.111
 ASSI (
   (( segid "    " and resid 91   and name HG13))
  OR 
   (( segid "    " and resid 91   and name HG12))
  OR 
   (( segid "    " and resid 91   and name HG11))
 )(
   (( segid "    " and resid 41   and name H   ))
  OR 
   (( segid "    " and resid 39   and name H   ))
 )
      3.200     1.300     1.300 peak   624 weight  0.10000E+01 volume  0.30400E+00 ppm1      0.739 ppm2      8.662
 ASSI (
   (( segid "    " and resid 91   and name HG13))
  OR 
   (( segid "    " and resid 91   and name HG12))
  OR 
   (( segid "    " and resid 91   and name HG11))
 )(
   (( segid "    " and resid 40   and name H   ))
 )
      3.500     1.500     1.500 peak   625 weight  0.10000E+01 volume  0.15700E+00 ppm1      0.738 ppm2      8.417
 ASSI (
   (( segid "    " and resid 91   and name HG13))
  OR 
   (( segid "    " and resid 91   and name HG12))
  OR 
   (( segid "    " and resid 91   and name HG11))
 )(
   (( segid "    " and resid 92   and name H   ))
 )
      3.300     1.400     1.400 peak   626 weight  0.10000E+01 volume  0.22700E+00 ppm1      0.740 ppm2      8.114
 ASSI (
   (( segid "    " and resid 91   and name HG13))
  OR 
   (( segid "    " and resid 91   and name HG12))
  OR 
   (( segid "    " and resid 91   and name HG11))
 )(
   (( segid "    " and resid 103  and name HD22))
  OR 
   (( segid "    " and resid 103  and name H   ))
  OR 
   (( segid "    " and resid 42   and name H   ))
 )
      3.300     1.400     1.400 peak   627 weight  0.10000E+01 volume  0.25400E+00 ppm1      0.754 ppm2      7.782
 ASSI (
   (( segid "    " and resid 24   and name HD13))
  OR 
   (( segid "    " and resid 24   and name HD12))
  OR 
   (( segid "    " and resid 24   and name HD11))
 )(
   (( segid "    " and resid 26   and name HD23))
  OR 
   (( segid "    " and resid 26   and name HD22))
  OR 
   (( segid "    " and resid 26   and name HD21))
 )
      3.700     1.700     1.700 peak   629 weight  0.10000E+01 volume  0.22500E+00 ppm1      0.521 ppm2     -0.350
 ASSI (
   (( segid "    " and resid 24   and name HD13))
  OR 
   (( segid "    " and resid 24   and name HD12))
  OR 
   (( segid "    " and resid 24   and name HD11))
 )(
   (( segid "    " and resid 26   and name HD13))
  OR 
   (( segid "    " and resid 26   and name HD12))
  OR 
   (( segid "    " and resid 26   and name HD11))
 )
      3.700     1.700     1.700 peak   630 weight  0.10000E+01 volume  0.24600E+00 ppm1      0.514 ppm2     -1.045
 ASSI (
   (( segid "    " and resid 24   and name HD13))
  OR 
   (( segid "    " and resid 24   and name HD12))
  OR 
   (( segid "    " and resid 24   and name HD11))
 )(
   (( segid "    " and resid 24   and name HG23))
  OR 
   (( segid "    " and resid 24   and name HG22))
  OR 
   (( segid "    " and resid 24   and name HG21))
 )
      2.700     0.900     0.900 peak   631 weight  0.10000E+01 volume  0.15390E+01 ppm1      0.520 ppm2      0.328
 ASSI (
   (( segid "    " and resid 24   and name HD13))
  OR 
   (( segid "    " and resid 24   and name HD12))
  OR 
   (( segid "    " and resid 24   and name HD11))
 )(
   (( segid "    " and resid 24   and name HB  ))
 )
      2.500     0.800     0.800 peak   632 weight  0.10000E+01 volume  0.13210E+01 ppm1      0.519 ppm2      1.358
 ASSI (
   (( segid "    " and resid 24   and name HD13))
  OR 
   (( segid "    " and resid 24   and name HD12))
  OR 
   (( segid "    " and resid 24   and name HD11))
 )(
   (( segid "    " and resid 24   and name HG12))
  OR 
   (( segid "    " and resid 22   and name HG23))
  OR 
   (( segid "    " and resid 22   and name HG21))
 )
      2.300     0.700     0.700 peak   633 weight  0.10000E+01 volume  0.20340E+01 ppm1      0.519 ppm2      1.127
 ASSI (
   (( segid "    " and resid 24   and name HD13))
  OR 
   (( segid "    " and resid 24   and name HD12))
  OR 
   (( segid "    " and resid 24   and name HD11))
 )(
   (( segid "    " and resid 108  and name HD23))
  OR 
   (( segid "    " and resid 108  and name HD22))
  OR 
   (( segid "    " and resid 108  and name HD21))
  OR 
   (( segid "    " and resid 108  and name HD13))
  OR 
   (( segid "    " and resid 108  and name HD12))
  OR 
   (( segid "    " and resid 108  and name HD11))
 )
      2.300     0.700     0.700 peak   634 weight  0.10000E+01 volume  0.43040E+01 ppm1      0.518 ppm2      0.846
 ASSI (
   (( segid "    " and resid 24   and name HD13))
  OR 
   (( segid "    " and resid 24   and name HD12))
  OR 
   (( segid "    " and resid 24   and name HD11))
 )(
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
  OR 
   (( segid "    " and resid 78   and name HG13))
  OR 
   (( segid "    " and resid 78   and name HG12))
  OR 
   (( segid "    " and resid 78   and name HG11))
 )
      2.300     0.700     0.700 peak   635 weight  0.10000E+01 volume  0.36640E+01 ppm1      0.519 ppm2      0.731
 ASSI (
   (( segid "    " and resid 24   and name HD13))
  OR 
   (( segid "    " and resid 24   and name HD12))
  OR 
   (( segid "    " and resid 24   and name HD11))
 )(
   (( segid "    " and resid 24   and name HA  ))
 )
      3.300     1.400     1.400 peak   636 weight  0.10000E+01 volume  0.35200E+00 ppm1      0.517 ppm2      4.177
 ASSI (
   (( segid "    " and resid 24   and name HD13))
  OR 
   (( segid "    " and resid 24   and name HD12))
  OR 
   (( segid "    " and resid 24   and name HD11))
 )(
   (( segid "    " and resid 106  and name HD2 ))
  OR 
   (( segid "    " and resid 106  and name HD1 ))
 )
      3.500     1.500     1.500 peak   637 weight  0.10000E+01 volume  0.29000E+00 ppm1      0.518 ppm2      6.691
 ASSI (
   (( segid "    " and resid 24   and name HD13))
  OR 
   (( segid "    " and resid 24   and name HD12))
  OR 
   (( segid "    " and resid 24   and name HD11))
 )(
   (( segid "    " and resid 106  and name HE2 ))
  OR 
   (( segid "    " and resid 106  and name HE1 ))
 )
      3.200     1.300     1.300 peak   638 weight  0.10000E+01 volume  0.53000E+00 ppm1      0.521 ppm2      6.490
 ASSI (
   (( segid "    " and resid 24   and name HD13))
  OR 
   (( segid "    " and resid 24   and name HD12))
  OR 
   (( segid "    " and resid 24   and name HD11))
 )(
   (( segid "    " and resid 24   and name H   ))
 )
      3.200     1.300     1.300 peak   639 weight  0.10000E+01 volume  0.29100E+00 ppm1      0.520 ppm2      9.289
 ASSI (
   (( segid "    " and resid 24   and name HD13))
  OR 
   (( segid "    " and resid 24   and name HD12))
  OR 
   (( segid "    " and resid 24   and name HD11))
 )(
   (( segid "    " and resid 108  and name H   ))
  OR 
   (( segid "    " and resid 25   and name H   ))
  OR 
   (( segid "    " and resid 23   and name H   ))
 )
      3.400     1.400     1.400 peak   640 weight  0.10000E+01 volume  0.18900E+00 ppm1      0.521 ppm2      8.749
 ASSI (
   (( segid "    " and resid 99   and name HD13))
  OR 
   (( segid "    " and resid 99   and name HD12))
  OR 
   (( segid "    " and resid 99   and name HD11))
 )(
   (( segid "    " and resid 91   and name HG13))
  OR 
   (( segid "    " and resid 91   and name HG12))
  OR 
   (( segid "    " and resid 91   and name HG11))
 )
      2.400     0.700     0.700 peak   641 weight  0.10000E+01 volume  0.31950E+01 ppm1      0.927 ppm2      0.761
 ASSI (
   (( segid "    " and resid 99   and name HD13))
  OR 
   (( segid "    " and resid 99   and name HD12))
  OR 
   (( segid "    " and resid 99   and name HD11))
 )(
   (( segid "    " and resid 99   and name HG12))
  OR 
   (( segid "    " and resid 42   and name HG23))
  OR 
   (( segid "    " and resid 42   and name HG22))
  OR 
   (( segid "    " and resid 42   and name HG21))
 )
      2.200     0.600     0.600 peak   642 weight  0.10000E+01 volume  0.34140E+01 ppm1      0.927 ppm2      1.052
 ASSI (
   (( segid "    " and resid 99   and name HD13))
  OR 
   (( segid "    " and resid 99   and name HD12))
  OR 
   (( segid "    " and resid 99   and name HD11))
 )(
   (( segid "    " and resid 99   and name HG13))
 )
      2.100     0.600     0.600 peak   643 weight  0.10000E+01 volume  0.35160E+01 ppm1      0.927 ppm2      1.677
 ASSI (
   (( segid "    " and resid 99   and name HD13))
  OR 
   (( segid "    " and resid 99   and name HD12))
  OR 
   (( segid "    " and resid 99   and name HD11))
 )(
   (( segid "    " and resid 100  and name HG3 ))
  OR 
   (( segid "    " and resid 100  and name HG2 ))
  OR 
   (( segid "    " and resid 44   and name HG3 ))
 )
      3.700     1.700     1.700 peak   644 weight  0.10000E+01 volume  0.12900E+00 ppm1      0.927 ppm2      1.425
 ASSI (
   (( segid "    " and resid 99   and name HD13))
  OR 
   (( segid "    " and resid 99   and name HD12))
  OR 
   (( segid "    " and resid 99   and name HD11))
 )(
   (( segid "    " and resid 42   and name HB  ))
  OR 
   (( segid "    " and resid 39   and name HB  ))
 )
      3.300     1.400     1.400 peak   646 weight  0.10000E+01 volume  0.24000E+00 ppm1      0.923 ppm2      2.042
 ASSI (
   (( segid "    " and resid 99   and name HD13))
  OR 
   (( segid "    " and resid 99   and name HD12))
  OR 
   (( segid "    " and resid 99   and name HD11))
 )(
   (( segid "    " and resid 99   and name HA  ))
 )
      3.400     1.400     1.400 peak   647 weight  0.10000E+01 volume  0.30600E+00 ppm1      0.926 ppm2      3.960
 ASSI (
   (( segid "    " and resid 99   and name HD13))
  OR 
   (( segid "    " and resid 99   and name HD12))
  OR 
   (( segid "    " and resid 99   and name HD11))
 )(
   (( segid "    " and resid 39   and name HA  ))
 )
      2.900     1.100     1.100 peak   648 weight  0.10000E+01 volume  0.82500E+00 ppm1      0.926 ppm2      3.466
 ASSI (
   (( segid "    " and resid 99   and name HD13))
  OR 
   (( segid "    " and resid 99   and name HD12))
  OR 
   (( segid "    " and resid 99   and name HD11))
 )(
   (( segid "    " and resid 99   and name H   ))
 )
      3.100     1.200     1.200 peak   649 weight  0.10000E+01 volume  0.33900E+00 ppm1      0.926 ppm2      7.997
 ASSI (
   (( segid "    " and resid 99   and name HD13))
  OR 
   (( segid "    " and resid 99   and name HD12))
  OR 
   (( segid "    " and resid 99   and name HD11))
 )(
   (( segid "    " and resid 40   and name H   ))
 )
      3.100     1.200     1.200 peak   650 weight  0.10000E+01 volume  0.32800E+00 ppm1      0.928 ppm2      8.398
 ASSI (
   (( segid "    " and resid 99   and name HD13))
  OR 
   (( segid "    " and resid 99   and name HD12))
  OR 
   (( segid "    " and resid 99   and name HD11))
 )(
   (( segid "    " and resid 94   and name H   ))
  OR 
   (( segid "    " and resid 93   and name H   ))
 )
      4.000     2.000     2.000 peak   651 weight  0.10000E+01 volume  0.78000E-01 ppm1      0.926 ppm2      8.196
 ASSI (
   (( segid "    " and resid 99   and name HD13))
  OR 
   (( segid "    " and resid 99   and name HD12))
  OR 
   (( segid "    " and resid 99   and name HD11))
 )(
   (( segid "    " and resid 100  and name H   ))
  OR 
   (( segid "    " and resid 42   and name H   ))
 )
      3.600     1.600     1.600 peak   652 weight  0.10000E+01 volume  0.14900E+00 ppm1      0.928 ppm2      7.766
 ASSI (
   (( segid "    " and resid 99   and name HD13))
  OR 
   (( segid "    " and resid 99   and name HD12))
  OR 
   (( segid "    " and resid 99   and name HD11))
 )(
   (( segid "    " and resid 41   and name HD2 ))
  OR 
   (( segid "    " and resid 41   and name HD1 ))
 )
      3.900     1.900     1.900 peak   653 weight  0.10000E+01 volume  0.15300E+00 ppm1      0.925 ppm2      7.246
 ASSI (
   (( segid "    " and resid 99   and name HD13))
  OR 
   (( segid "    " and resid 99   and name HD12))
  OR 
   (( segid "    " and resid 99   and name HD11))
 )(
   (( segid "    " and resid 41   and name H   ))
  OR 
   (( segid "    " and resid 39   and name H   ))
 )
      4.000     2.000     2.000 peak   654 weight  0.10000E+01 volume  0.81000E-01 ppm1      0.931 ppm2      8.663
 ASSI (
   (( segid "    " and resid 73   and name HD13))
  OR 
   (( segid "    " and resid 73   and name HD12))
  OR 
   (( segid "    " and resid 73   and name HD11))
 )(
   (( segid "    " and resid 26   and name HB3 ))
  OR 
   (( segid "    " and resid 24   and name HG23))
  OR 
   (( segid "    " and resid 24   and name HG22))
  OR 
   (( segid "    " and resid 24   and name HG21))
 )
      3.200     1.300     1.300 peak   655 weight  0.10000E+01 volume  0.31200E+00 ppm1      0.503 ppm2      0.337
 ASSI (
   (( segid "    " and resid 73   and name HD13))
  OR 
   (( segid "    " and resid 73   and name HD12))
  OR 
   (( segid "    " and resid 73   and name HD11))
 )(
   (( segid "    " and resid 73   and name HG12))
 )
      2.600     0.800     0.800 peak   659 weight  0.10000E+01 volume  0.10360E+01 ppm1      0.503 ppm2      0.953
 ASSI (
   (( segid "    " and resid 73   and name HD13))
  OR 
   (( segid "    " and resid 73   and name HD12))
  OR 
   (( segid "    " and resid 73   and name HD11))
 )(
   (( segid "    " and resid 27   and name HG2 ))
 )
      3.400     1.400     1.400 peak   662 weight  0.10000E+01 volume  0.18900E+00 ppm1      0.504 ppm2      1.445
 ASSI (
   (( segid "    " and resid 73   and name HD13))
  OR 
   (( segid "    " and resid 73   and name HD12))
  OR 
   (( segid "    " and resid 73   and name HD11))
 )(
   (( segid "    " and resid 75   and name HB  ))
  OR 
   (( segid "    " and resid 27   and name HB2 ))
 )
      3.800     1.800     1.800 peak   663 weight  0.10000E+01 volume  0.10200E+00 ppm1      0.505 ppm2      1.907
 ASSI (
   (( segid "    " and resid 73   and name HD13))
  OR 
   (( segid "    " and resid 73   and name HD12))
  OR 
   (( segid "    " and resid 73   and name HD11))
 )(
   (( segid "    " and resid 57   and name HB2 ))
  OR 
   (( segid "    " and resid 23   and name HG2 ))
 )
      3.700     1.700     1.700 peak   664 weight  0.10000E+01 volume  0.13000E+00 ppm1      0.502 ppm2      1.769
 ASSI (
   (( segid "    " and resid 73   and name HD13))
  OR 
   (( segid "    " and resid 73   and name HD12))
  OR 
   (( segid "    " and resid 73   and name HD11))
 )(
   (( segid "    " and resid 25   and name HB3 ))
 )
      3.500     1.500     1.500 peak   666 weight  0.10000E+01 volume  0.16700E+00 ppm1      0.500 ppm2      3.162
 ASSI (
   (( segid "    " and resid 73   and name HD13))
  OR 
   (( segid "    " and resid 73   and name HD12))
  OR 
   (( segid "    " and resid 73   and name HD11))
 )(
   (( segid "    " and resid 59   and name HB  ))
 )
      3.700     1.700     1.700 peak   667 weight  0.10000E+01 volume  0.11600E+00 ppm1      0.502 ppm2      3.719
 ASSI (
   (( segid "    " and resid 73   and name HD13))
  OR 
   (( segid "    " and resid 73   and name HD12))
  OR 
   (( segid "    " and resid 73   and name HD11))
 )(
   (( segid "    " and resid 25   and name HB2 ))
 )
      3.000     1.100     1.100 peak   668 weight  0.10000E+01 volume  0.41100E+00 ppm1      0.504 ppm2      2.756
 ASSI (
   (( segid "    " and resid 73   and name HD13))
  OR 
   (( segid "    " and resid 73   and name HD12))
  OR 
   (( segid "    " and resid 73   and name HD11))
 )(
   (( segid "    " and resid 73   and name HA  ))
  OR 
   (( segid "    " and resid 27   and name HA  ))
 )
      3.100     1.200     1.200 peak   669 weight  0.10000E+01 volume  0.51700E+00 ppm1      0.501 ppm2      4.834
 ASSI (
   (( segid "    " and resid 73   and name HD13))
  OR 
   (( segid "    " and resid 73   and name HD12))
  OR 
   (( segid "    " and resid 73   and name HD11))
 )(
   (( segid "    " and resid 25   and name HA  ))
 )
      3.600     1.600     1.600 peak   670 weight  0.10000E+01 volume  0.20400E+00 ppm1      0.498 ppm2      5.539
 ASSI (
   (( segid "    " and resid 51   and name HD13))
  OR 
   (( segid "    " and resid 51   and name HD12))
  OR 
   (( segid "    " and resid 51   and name HD11))
 )(
   (( segid "    " and resid 51   and name HG23))
  OR 
   (( segid "    " and resid 51   and name HG22))
  OR 
   (( segid "    " and resid 51   and name HG21))
 )
      2.600     0.800     0.800 peak   671 weight  0.10000E+01 volume  0.19380E+01 ppm1      0.748 ppm2      0.292
 ASSI (
   (( segid "    " and resid 51   and name HD13))
  OR 
   (( segid "    " and resid 51   and name HD12))
  OR 
   (( segid "    " and resid 51   and name HD11))
 )(
   (( segid "    " and resid 51   and name HG12))
 )
      2.400     0.700     0.700 peak   673 weight  0.10000E+01 volume  0.16600E+01 ppm1      0.747 ppm2      1.072
 ASSI (
   (( segid "    " and resid 51   and name HD13))
  OR 
   (( segid "    " and resid 51   and name HD12))
  OR 
   (( segid "    " and resid 51   and name HD11))
 )(
   (( segid "    " and resid 50   and name HG3 ))
  OR 
   (( segid "    " and resid 50   and name HG2 ))
 )
      3.200     1.300     1.300 peak   675 weight  0.10000E+01 volume  0.31200E+00 ppm1      0.748 ppm2      2.293
 ASSI (
   (( segid "    " and resid 51   and name HD13))
  OR 
   (( segid "    " and resid 51   and name HD12))
  OR 
   (( segid "    " and resid 51   and name HD11))
 )(
   (( segid "    " and resid 81   and name HB3 ))
  OR 
   (( segid "    " and resid 50   and name HB3 ))
  OR 
   (( segid "    " and resid 50   and name HB2 ))
 )
      2.900     1.100     1.100 peak   676 weight  0.10000E+01 volume  0.52000E+00 ppm1      0.745 ppm2      1.997
 ASSI (
   (( segid "    " and resid 51   and name HD13))
  OR 
   (( segid "    " and resid 51   and name HD12))
  OR 
   (( segid "    " and resid 51   and name HD11))
 )(
   (( segid "    " and resid 82   and name HD2 ))
  OR 
   (( segid "    " and resid 51   and name HB  ))
 )
      2.300     0.700     0.700 peak   677 weight  0.10000E+01 volume  0.20210E+01 ppm1      0.746 ppm2      1.743
 ASSI (
   (( segid "    " and resid 51   and name HD13))
  OR 
   (( segid "    " and resid 51   and name HD12))
  OR 
   (( segid "    " and resid 51   and name HD11))
 )(
   (( segid "    " and resid 51   and name HG13))
 )
      2.300     0.700     0.700 peak   678 weight  0.10000E+01 volume  0.23680E+01 ppm1      0.747 ppm2      1.476
 ASSI (
   (( segid "    " and resid 51   and name HD13))
  OR 
   (( segid "    " and resid 51   and name HD12))
  OR 
   (( segid "    " and resid 51   and name HD11))
 )(
   (( segid "    " and resid 82   and name HE3 ))
  OR 
   (( segid "    " and resid 82   and name HE2 ))
 )
      3.200     1.300     1.300 peak   679 weight  0.10000E+01 volume  0.27700E+00 ppm1      0.749 ppm2      2.951
 ASSI (
   (( segid "    " and resid 51   and name HD13))
  OR 
   (( segid "    " and resid 51   and name HD12))
  OR 
   (( segid "    " and resid 51   and name HD11))
 )(
   (( segid "    " and resid 86   and name HB3 ))
  OR 
   (( segid "    " and resid 81   and name HD3 ))
 )
      3.600     1.600     1.600 peak   681 weight  0.10000E+01 volume  0.13800E+00 ppm1      0.747 ppm2      3.125
 ASSI (
   (( segid "    " and resid 51   and name HD13))
  OR 
   (( segid "    " and resid 51   and name HD12))
  OR 
   (( segid "    " and resid 51   and name HD11))
 )(
   (( segid "    " and resid 51   and name H   ))
 )
      3.400     1.400     1.400 peak   682 weight  0.10000E+01 volume  0.19300E+00 ppm1      0.746 ppm2      7.592
 ASSI (
   (( segid "    " and resid 51   and name HD13))
  OR 
   (( segid "    " and resid 51   and name HD12))
  OR 
   (( segid "    " and resid 51   and name HD11))
 )(
   (( segid "    " and resid 82   and name H   ))
  OR 
   (( segid "    " and resid 38   and name HE  ))
 )
      4.000     2.000     2.000 peak   683 weight  0.10000E+01 volume  0.80000E-01 ppm1      0.747 ppm2      7.404
 ASSI (
   (( segid "    " and resid 52   and name HB3 ))
  OR 
   (( segid "    " and resid 2    and name HD13))
  OR 
   (( segid "    " and resid 2    and name HD12))
  OR 
   (( segid "    " and resid 2    and name HD11))
 )(
   (( segid "    " and resid 52   and name H   ))
  OR 
   (( segid "    " and resid 2    and name H   ))
 )
      3.300     1.400     1.400 peak   689 weight  0.10000E+01 volume  0.15900E+00 ppm1      0.864 ppm2      8.294
 ASSI (
   (( segid "    " and resid 52   and name HB3 ))
 )(
   (( segid "    " and resid 54   and name H   ))
  OR 
   (( segid "    " and resid 53   and name H   ))
 )
      2.900     1.100     1.100 peak   690 weight  0.10000E+01 volume  0.24500E+00 ppm1      0.867 ppm2      8.433
 ASSI (
   (( segid "    " and resid 52   and name HB2 ))
 )(
   (( segid "    " and resid 52   and name HD23))
  OR 
   (( segid "    " and resid 52   and name HD22))
  OR 
   (( segid "    " and resid 52   and name HD21))
  OR 
   (( segid "    " and resid 52   and name HD13))
  OR 
   (( segid "    " and resid 52   and name HD12))
  OR 
   (( segid "    " and resid 52   and name HD11))
 )
      2.300     0.700     0.700 peak   692 weight  0.10000E+01 volume  0.19190E+01 ppm1      1.593 ppm2      0.662
 ASSI (
   (( segid "    " and resid 108  and name HB3 ))
 )(
   (( segid "    " and resid 109  and name HB2 ))
  OR 
   (( segid "    " and resid 88   and name HB2 ))
 )
      3.100     1.200     1.200 peak   695 weight  0.10000E+01 volume  0.19200E+00 ppm1      1.260 ppm2      1.995
 ASSI (
   (( segid "    " and resid 108  and name HB2 ))
 )(
   (( segid "    " and resid 90   and name HD13))
  OR 
   (( segid "    " and resid 90   and name HD12))
  OR 
   (( segid "    " and resid 90   and name HD11))
  OR 
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 54   and name HG13))
  OR 
   (( segid "    " and resid 54   and name HG12))
  OR 
   (( segid "    " and resid 54   and name HG11))
  OR 
   (( segid "    " and resid 24   and name HD13))
  OR 
   (( segid "    " and resid 24   and name HD12))
  OR 
   (( segid "    " and resid 24   and name HD11))
 )
      3.600     1.600     1.600 peak   698 weight  0.10000E+01 volume  0.14200E+00 ppm1      1.806 ppm2      0.529
 ASSI (
   (( segid "    " and resid 108  and name HB2 ))
 )(
   (( segid "    " and resid 108  and name HG  ))
  OR 
   (( segid "    " and resid 108  and name HB3 ))
 )
      1.900     0.500     0.500 peak   699 weight  0.10000E+01 volume  0.31690E+01 ppm1      1.806 ppm2      1.252
 ASSI (
   (( segid "    " and resid 108  and name HB2 ))
 )(
   (( segid "    " and resid 108  and name HD13))
  OR 
   (( segid "    " and resid 108  and name HD12))
  OR 
   (( segid "    " and resid 108  and name HD11))
  OR 
   (( segid "    " and resid 78   and name HG23))
 )
      2.400     0.700     0.700 peak   701 weight  0.10000E+01 volume  0.17140E+01 ppm1      1.807 ppm2      0.820
 ASSI (
   (( segid "    " and resid 108  and name HB3 ))
 )(
   (( segid "    " and resid 90   and name HD13))
  OR 
   (( segid "    " and resid 90   and name HD12))
  OR 
   (( segid "    " and resid 90   and name HD11))
  OR 
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 54   and name HG13))
  OR 
   (( segid "    " and resid 54   and name HG12))
  OR 
   (( segid "    " and resid 54   and name HG11))
  OR 
   (( segid "    " and resid 24   and name HD13))
  OR 
   (( segid "    " and resid 24   and name HD12))
  OR 
   (( segid "    " and resid 24   and name HD11))
 )
      3.300     1.400     1.400 peak   705 weight  0.10000E+01 volume  0.25600E+00 ppm1      1.253 ppm2      0.534
 ASSI (
   (( segid "    " and resid 108  and name HB3 ))
 )(
   (( segid "    " and resid 108  and name HD13))
  OR 
   (( segid "    " and resid 108  and name HD12))
  OR 
   (( segid "    " and resid 108  and name HD11))
 )
      2.200     0.600     0.600 peak   706 weight  0.10000E+01 volume  0.26560E+01 ppm1      1.254 ppm2      0.823
 ASSI (
   (( segid "    " and resid 108  and name HB3 ))
 )(
   (( segid "    " and resid 106  and name HE2 ))
  OR 
   (( segid "    " and resid 106  and name HE1 ))
 )
      3.100     1.200     1.200 peak   709 weight  0.10000E+01 volume  0.35500E+00 ppm1      1.255 ppm2      6.491
 ASSI (
   (( segid "    " and resid 108  and name HB2 ))
 )(
   (( segid "    " and resid 106  and name HE2 ))
  OR 
   (( segid "    " and resid 106  and name HE1 ))
 )
      3.400     1.400     1.400 peak   710 weight  0.10000E+01 volume  0.18700E+00 ppm1      1.812 ppm2      6.486
 ASSI (
   (( segid "    " and resid 108  and name HB3 ))
 )(
   (( segid "    " and resid 90   and name H   ))
  OR 
   (( segid "    " and resid 88   and name H   ))
 )
      3.200     1.300     1.300 peak   711 weight  0.10000E+01 volume  0.14400E+00 ppm1      1.233 ppm2      9.223
 ASSI (
   (( segid "    " and resid 99   and name HG23))
  OR 
   (( segid "    " and resid 99   and name HG22))
  OR 
   (( segid "    " and resid 99   and name HG21))
 )(
   (( segid "    " and resid 93   and name HG23))
  OR 
   (( segid "    " and resid 93   and name HG22))
  OR 
   (( segid "    " and resid 93   and name HG21))
 )
      3.000     1.100     1.100 peak   715 weight  0.10000E+01 volume  0.90400E+00 ppm1      0.808 ppm2      0.639
 ASSI (
   (( segid "    " and resid 99   and name HG23))
  OR 
   (( segid "    " and resid 99   and name HG22))
  OR 
   (( segid "    " and resid 99   and name HG21))
 )(
   (( segid "    " and resid 99   and name HD13))
  OR 
   (( segid "    " and resid 99   and name HD12))
  OR 
   (( segid "    " and resid 99   and name HD11))
  OR 
   (( segid "    " and resid 39   and name HG13))
  OR 
   (( segid "    " and resid 39   and name HG12))
  OR 
   (( segid "    " and resid 39   and name HG11))
 )
      2.400     0.700     0.700 peak   717 weight  0.10000E+01 volume  0.29270E+01 ppm1      0.808 ppm2      0.958
 ASSI (
   (( segid "    " and resid 99   and name HG23))
  OR 
   (( segid "    " and resid 99   and name HG22))
  OR 
   (( segid "    " and resid 99   and name HG21))
 )(
   (( segid "    " and resid 100  and name HG3 ))
  OR 
   (( segid "    " and resid 100  and name HG2 ))
 )
      3.200     1.300     1.300 peak   719 weight  0.10000E+01 volume  0.27600E+00 ppm1      0.808 ppm2      1.444
 ASSI (
   (( segid "    " and resid 99   and name HG23))
  OR 
   (( segid "    " and resid 99   and name HG22))
  OR 
   (( segid "    " and resid 99   and name HG21))
 )(
   (( segid "    " and resid 99   and name HB  ))
 )
      2.200     0.600     0.600 peak   720 weight  0.10000E+01 volume  0.26370E+01 ppm1      0.809 ppm2      1.613
 ASSI (
   (( segid "    " and resid 99   and name HG23))
  OR 
   (( segid "    " and resid 99   and name HG22))
  OR 
   (( segid "    " and resid 99   and name HG21))
 )(
   (( segid "    " and resid 103  and name HB2 ))
 )
      3.200     1.300     1.300 peak   721 weight  0.10000E+01 volume  0.29700E+00 ppm1      0.809 ppm2      2.583
 ASSI (
   (( segid "    " and resid 99   and name HG23))
  OR 
   (( segid "    " and resid 99   and name HG22))
  OR 
   (( segid "    " and resid 99   and name HG21))
 )(
   (( segid "    " and resid 105  and name HB3 ))
  OR 
   (( segid "    " and resid 104  and name HB3 ))
  OR 
   (( segid "    " and resid 102  and name HB3 ))
  OR 
   (( segid "    " and resid 102  and name HB2 ))
  OR 
   (( segid "    " and resid 100  and name HB2 ))
  OR 
   (( segid "    " and resid 42   and name HB  ))
  OR 
   (( segid "    " and resid 34   and name HB2 ))
 )
      3.000     1.100     1.100 peak   722 weight  0.10000E+01 volume  0.39500E+00 ppm1      0.828 ppm2      2.080
 ASSI (
   (( segid "    " and resid 99   and name HG23))
  OR 
   (( segid "    " and resid 99   and name HG22))
  OR 
   (( segid "    " and resid 99   and name HG21))
 )(
   (( segid "    " and resid 103  and name HB3 ))
 )
      3.200     1.300     1.300 peak   724 weight  0.10000E+01 volume  0.28100E+00 ppm1      0.805 ppm2      3.102
 ASSI (
   (( segid "    " and resid 99   and name HG23))
  OR 
   (( segid "    " and resid 99   and name HG22))
  OR 
   (( segid "    " and resid 99   and name HG21))
 )(
   (( segid "    " and resid 93   and name HB  ))
 )
      3.200     1.300     1.300 peak   725 weight  0.10000E+01 volume  0.27600E+00 ppm1      0.808 ppm2      3.491
 ASSI (
   (( segid "    " and resid 99   and name HG23))
  OR 
   (( segid "    " and resid 99   and name HG22))
  OR 
   (( segid "    " and resid 99   and name HG21))
 )(
   (( segid "    " and resid 103  and name HA  ))
  OR 
   (( segid "    " and resid 100  and name HA  ))
 )
      3.600     1.600     1.600 peak   727 weight  0.10000E+01 volume  0.20300E+00 ppm1      0.810 ppm2      4.892
 ASSI (
   (( segid "    " and resid 99   and name HG23))
  OR 
   (( segid "    " and resid 99   and name HG22))
  OR 
   (( segid "    " and resid 99   and name HG21))
 )(
   (( segid "    " and resid 99   and name H   ))
 )
      3.000     1.100     1.100 peak   728 weight  0.10000E+01 volume  0.41200E+00 ppm1      0.809 ppm2      7.988
 ASSI (
   (( segid "    " and resid 99   and name HG23))
  OR 
   (( segid "    " and resid 99   and name HG22))
  OR 
   (( segid "    " and resid 99   and name HG21))
 )(
   (( segid "    " and resid 103  and name H   ))
  OR 
   (( segid "    " and resid 100  and name H   ))
 )
      2.600     0.800     0.800 peak   729 weight  0.10000E+01 volume  0.92300E+00 ppm1      0.809 ppm2      7.742
 ASSI (
   (( segid "    " and resid 99   and name HG23))
  OR 
   (( segid "    " and resid 99   and name HG22))
  OR 
   (( segid "    " and resid 99   and name HG21))
 )(
   (( segid "    " and resid 34   and name HD2 ))
 )
      3.400     1.400     1.400 peak   732 weight  0.10000E+01 volume  0.34400E+00 ppm1      0.810 ppm2      6.343
 ASSI (
   (( segid "    " and resid 90   and name HD13))
  OR 
   (( segid "    " and resid 90   and name HD12))
  OR 
   (( segid "    " and resid 90   and name HD11))
 )(
   (( segid "    " and resid 74   and name HD2 ))
  OR 
   (( segid "    " and resid 74   and name HD1 ))
  OR 
   (( segid "    " and resid 36   and name HE3 ))
 )
      4.100     2.100     1.900 peak   733 weight  0.10000E+01 volume  0.11400E+00 ppm1      0.564 ppm2      7.189
 ASSI (
   (( segid "    " and resid 90   and name HD13))
  OR 
   (( segid "    " and resid 90   and name HD12))
  OR 
   (( segid "    " and resid 90   and name HD11))
 )(
   (( segid "    " and resid 90   and name H   ))
  OR 
   (( segid "    " and resid 88   and name H   ))
  OR 
   (( segid "    " and resid 76   and name H   ))
 )
      3.100     1.200     1.200 peak   734 weight  0.10000E+01 volume  0.37000E+00 ppm1      0.561 ppm2      9.195
 ASSI (
   (( segid "    " and resid 90   and name HD13))
  OR 
   (( segid "    " and resid 90   and name HD12))
  OR 
   (( segid "    " and resid 90   and name HD11))
 )(
   (( segid "    " and resid 106  and name HD2 ))
  OR 
   (( segid "    " and resid 106  and name HD1 ))
 )
      3.100     1.200     1.200 peak   735 weight  0.10000E+01 volume  0.59100E+00 ppm1      0.562 ppm2      6.706
 ASSI (
   (( segid "    " and resid 90   and name HD13))
  OR 
   (( segid "    " and resid 90   and name HD12))
  OR 
   (( segid "    " and resid 90   and name HD11))
 )(
   (( segid "    " and resid 106  and name HE2 ))
  OR 
   (( segid "    " and resid 106  and name HE1 ))
 )
      3.800     1.800     1.800 peak   736 weight  0.10000E+01 volume  0.20400E+00 ppm1      0.560 ppm2      6.506
 ASSI (
   (( segid "    " and resid 90   and name HD13))
  OR 
   (( segid "    " and resid 90   and name HD12))
  OR 
   (( segid "    " and resid 90   and name HD11))
 )(
   (( segid "    " and resid 90   and name HA  ))
 )
      3.900     1.900     1.900 peak   737 weight  0.10000E+01 volume  0.14500E+00 ppm1      0.563 ppm2      5.658
 ASSI (
   (( segid "    " and resid 90   and name HD13))
  OR 
   (( segid "    " and resid 90   and name HD12))
  OR 
   (( segid "    " and resid 90   and name HD11))
 )(
   (( segid "    " and resid 90   and name HG  ))
 )
      2.500     0.800     0.800 peak   738 weight  0.10000E+01 volume  0.11930E+01 ppm1      0.561 ppm2      1.547
 ASSI (
   (( segid "    " and resid 90   and name HD13))
  OR 
   (( segid "    " and resid 90   and name HD12))
  OR 
   (( segid "    " and resid 90   and name HD11))
 )(
   (( segid "    " and resid 88   and name HG  ))
  OR 
   (( segid "    " and resid 24   and name HB  ))
 )
      3.100     1.200     1.200 peak   739 weight  0.10000E+01 volume  0.37600E+00 ppm1      0.562 ppm2      1.361
 ASSI (
   (( segid "    " and resid 90   and name HD13))
  OR 
   (( segid "    " and resid 90   and name HD12))
  OR 
   (( segid "    " and resid 90   and name HD11))
 )(
   (( segid "    " and resid 106  and name HB3 ))
  OR 
   (( segid "    " and resid 36   and name HB2 ))
 )
      2.900     1.100     1.100 peak   740 weight  0.10000E+01 volume  0.47500E+00 ppm1      0.560 ppm2      2.557
 ASSI (
   (( segid "    " and resid 90   and name HD13))
  OR 
   (( segid "    " and resid 90   and name HD12))
  OR 
   (( segid "    " and resid 90   and name HD11))
 )(
   (( segid "    " and resid 90   and name HB3 ))
 )
      2.800     1.000     1.000 peak   741 weight  0.10000E+01 volume  0.72000E+00 ppm1      0.561 ppm2      2.263
 ASSI (
   (( segid "    " and resid 90   and name HD13))
  OR 
   (( segid "    " and resid 90   and name HD12))
  OR 
   (( segid "    " and resid 90   and name HD11))
 )(
   (( segid "    " and resid 90   and name HB2 ))
  OR 
   (( segid "    " and resid 76   and name HB  ))
 )
      2.600     0.800     0.800 peak   742 weight  0.10000E+01 volume  0.94800E+00 ppm1      0.562 ppm2      1.742
 ASSI (
   (( segid "    " and resid 90   and name HD13))
  OR 
   (( segid "    " and resid 90   and name HD12))
  OR 
   (( segid "    " and resid 90   and name HD11))
 )(
   (( segid "    " and resid 26   and name HD23))
  OR 
   (( segid "    " and resid 26   and name HD22))
  OR 
   (( segid "    " and resid 26   and name HD21))
 )
      4.100     2.100     1.900 peak   743 weight  0.10000E+01 volume  0.12800E+00 ppm1      0.561 ppm2     -0.385
 ASSI (
   (( segid "    " and resid 90   and name HD13))
  OR 
   (( segid "    " and resid 90   and name HD12))
  OR 
   (( segid "    " and resid 90   and name HD11))
 )(
   (( segid "    " and resid 26   and name HD13))
  OR 
   (( segid "    " and resid 26   and name HD12))
  OR 
   (( segid "    " and resid 26   and name HD11))
 )
      2.900     1.100     1.100 peak   744 weight  0.10000E+01 volume  0.99100E+00 ppm1      0.562 ppm2     -1.045
 ASSI (
   (( segid "    " and resid 91   and name HA  ))
 )(
   (( segid "    " and resid 91   and name HG13))
  OR 
   (( segid "    " and resid 91   and name HG12))
  OR 
   (( segid "    " and resid 91   and name HG11))
 )
      3.100     1.200     1.200 peak   752 weight  0.10000E+01 volume  0.50600E+00 ppm1      5.200 ppm2      0.753
 ASSI (
   (( segid "    " and resid 22   and name HG23))
  OR 
   (( segid "    " and resid 22   and name HG22))
  OR 
   (( segid "    " and resid 22   and name HG21))
 )(
   (( segid "    " and resid 24   and name HD13))
  OR 
   (( segid "    " and resid 24   and name HD12))
  OR 
   (( segid "    " and resid 24   and name HD11))
 )
      3.200     1.300     1.300 peak   753 weight  0.10000E+01 volume  0.54100E+00 ppm1      1.086 ppm2      0.511
 ASSI (
   (( segid "    " and resid 22   and name HG23))
  OR 
   (( segid "    " and resid 22   and name HG22))
  OR 
   (( segid "    " and resid 22   and name HG21))
 )(
   (( segid "    " and resid 24   and name HG23))
  OR 
   (( segid "    " and resid 24   and name HG22))
  OR 
   (( segid "    " and resid 24   and name HG21))
 )
      3.600     1.600     1.600 peak   754 weight  0.10000E+01 volume  0.28200E+00 ppm1      1.087 ppm2      0.317
 ASSI (
   (( segid "    " and resid 46   and name HG13))
  OR 
   (( segid "    " and resid 46   and name HG12))
  OR 
   (( segid "    " and resid 46   and name HG11))
  OR 
   (( segid "    " and resid 22   and name HG23))
  OR 
   (( segid "    " and resid 22   and name HG22))
  OR 
   (( segid "    " and resid 22   and name HG21))
 )(
   (( segid "    " and resid 108  and name HD23))
  OR 
   (( segid "    " and resid 108  and name HD22))
  OR 
   (( segid "    " and resid 108  and name HD21))
  OR 
   (( segid "    " and resid 47   and name HD13))
  OR 
   (( segid "    " and resid 47   and name HD12))
  OR 
   (( segid "    " and resid 47   and name HD11))
  OR 
   (( segid "    " and resid 24   and name HG13))
  OR 
   (( segid "    " and resid 14   and name HG23))
  OR 
   (( segid "    " and resid 14   and name HG13))
  OR 
   (( segid "    " and resid 14   and name HG12))
  OR 
   (( segid "    " and resid 14   and name HG11))
 )
      2.100     0.600     0.600 peak   755 weight  0.10000E+01 volume  0.46690E+01 ppm1      1.085 ppm2      0.895
 ASSI (
   (( segid "    " and resid 22   and name HG23))
  OR 
   (( segid "    " and resid 22   and name HG22))
  OR 
   (( segid "    " and resid 22   and name HG21))
 )(
   (( segid "    " and resid 110  and name HD23))
  OR 
   (( segid "    " and resid 110  and name HD22))
  OR 
   (( segid "    " and resid 110  and name HD21))
  OR 
   (( segid "    " and resid 108  and name HD13))
  OR 
   (( segid "    " and resid 108  and name HD12))
  OR 
   (( segid "    " and resid 108  and name HD11))
  OR 
   (( segid "    " and resid 78   and name HG23))
  OR 
   (( segid "    " and resid 78   and name HG22))
  OR 
   (( segid "    " and resid 78   and name HG21))
  OR 
   (( segid "    " and resid 78   and name HG13))
  OR 
   (( segid "    " and resid 78   and name HG12))
  OR 
   (( segid "    " and resid 78   and name HG11))
 )
      2.400     0.700     0.700 peak   756 weight  0.10000E+01 volume  0.33880E+01 ppm1      1.083 ppm2      0.786
 ASSI (
   (( segid "    " and resid 46   and name HG13))
  OR 
   (( segid "    " and resid 46   and name HG12))
  OR 
   (( segid "    " and resid 46   and name HG11))
  OR 
   (( segid "    " and resid 22   and name HG23))
  OR 
   (( segid "    " and resid 22   and name HG22))
  OR 
   (( segid "    " and resid 22   and name HG21))
 )(
   (( segid "    " and resid 108  and name HB2 ))
  OR 
   (( segid "    " and resid 80   and name HG2 ))
  OR 
   (( segid "    " and resid 44   and name HD2 ))
  OR 
   (( segid "    " and resid 23   and name HG2 ))
  OR 
   (( segid "    " and resid 23   and name HB3 ))
  OR 
   (( segid "    " and resid 23   and name HB2 ))
 )
      2.900     1.100     1.100 peak   757 weight  0.10000E+01 volume  0.53800E+00 ppm1      1.090 ppm2      1.788
 ASSI (
   (( segid "    " and resid 22   and name HG23))
  OR 
   (( segid "    " and resid 22   and name HG22))
  OR 
   (( segid "    " and resid 22   and name HG21))
 )(
   (( segid "    " and resid 108  and name HG  ))
  OR 
   (( segid "    " and resid 108  and name HB3 ))
  OR 
   (( segid "    " and resid 12   and name HG2 ))
 )
      2.800     1.000     1.000 peak   758 weight  0.10000E+01 volume  0.66000E+00 ppm1      1.087 ppm2      1.265
 ASSI (
   (( segid "    " and resid 22   and name HG23))
  OR 
   (( segid "    " and resid 22   and name HG22))
  OR 
   (( segid "    " and resid 22   and name HG21))
 )(
   (( segid "    " and resid 22   and name HB  ))
 )
      2.400     0.700     0.700 peak   759 weight  0.10000E+01 volume  0.17740E+01 ppm1      1.085 ppm2      3.687
 ASSI (
   (( segid "    " and resid 22   and name HG23))
  OR 
   (( segid "    " and resid 22   and name HG22))
  OR 
   (( segid "    " and resid 22   and name HG21))
 )(
   (( segid "    " and resid 23   and name H   ))
 )
      2.700     0.900     0.900 peak   761 weight  0.10000E+01 volume  0.88100E+00 ppm1      1.086 ppm2      8.743
 ASSI (
   (( segid "    " and resid 22   and name HG23))
  OR 
   (( segid "    " and resid 22   and name HG22))
  OR 
   (( segid "    " and resid 22   and name HG21))
 )(
   (( segid "    " and resid 22   and name H   ))
 )
      3.200     1.300     1.300 peak   762 weight  0.10000E+01 volume  0.26800E+00 ppm1      1.085 ppm2      9.502
 ASSI (
   (( segid "    " and resid 46   and name HG23))
  OR 
   (( segid "    " and resid 46   and name HG22))
  OR 
   (( segid "    " and resid 46   and name HG21))
 )(
   (( segid "    " and resid 47   and name H   ))
 )
      2.700     0.900     0.900 peak   763 weight  0.10000E+01 volume  0.81400E+00 ppm1      1.144 ppm2      8.841
 ASSI (
   (( segid "    " and resid 46   and name HG23))
  OR 
   (( segid "    " and resid 46   and name HG22))
  OR 
   (( segid "    " and resid 46   and name HG21))
 )(
   (( segid "    " and resid 46   and name H   ))
 )
      3.000     1.100     1.100 peak   764 weight  0.10000E+01 volume  0.40400E+00 ppm1      1.141 ppm2      7.622
 ASSI (
   (( segid "    " and resid 46   and name HG23))
  OR 
   (( segid "    " and resid 46   and name HG22))
  OR 
   (( segid "    " and resid 46   and name HG21))
 )(
   (( segid "    " and resid 48   and name H   ))
 )
      2.400     0.700     0.700 peak   765 weight  0.10000E+01 volume  0.17830E+01 ppm1      1.143 ppm2      6.734
 ASSI (
   (( segid "    " and resid 46   and name HG23))
  OR 
   (( segid "    " and resid 46   and name HG22))
  OR 
   (( segid "    " and resid 46   and name HG21))
 )(
   (( segid "    " and resid 46   and name HB  ))
 )
      2.200     0.600     0.600 peak   767 weight  0.10000E+01 volume  0.25980E+01 ppm1      1.143 ppm2      2.175
 ASSI (
   (( segid "    " and resid 61   and name HG23))
  OR 
   (( segid "    " and resid 61   and name HG22))
  OR 
   (( segid "    " and resid 61   and name HG21))
  OR 
   (( segid "    " and resid 46   and name HG23))
  OR 
   (( segid "    " and resid 46   and name HG22))
  OR 
   (( segid "    " and resid 46   and name HG21))
 )(
   (( segid "    " and resid 72   and name HA3 ))
  OR 
   (( segid "    " and resid 71   and name HA2 ))
  OR 
   (( segid "    " and resid 48   and name HB3 ))
 )
      3.100     1.200     1.200 peak   768 weight  0.10000E+01 volume  0.37600E+00 ppm1      1.140 ppm2      4.067
 ASSI (
   (( segid "    " and resid 16   and name HG23))
  OR 
   (( segid "    " and resid 16   and name HG22))
  OR 
   (( segid "    " and resid 16   and name HG21))
 )(
   (( segid "    " and resid 16   and name HB  ))
 )
      2.300     0.700     0.700 peak   769 weight  0.10000E+01 volume  0.20410E+01 ppm1      1.094 ppm2      3.905
 ASSI (
   (( segid "    " and resid 16   and name HG23))
  OR 
   (( segid "    " and resid 16   and name HG22))
  OR 
   (( segid "    " and resid 16   and name HG21))
 )(
   (( segid "    " and resid 112  and name HA  ))
 )
      2.800     1.000     1.000 peak   770 weight  0.10000E+01 volume  0.10270E+01 ppm1      1.094 ppm2      3.750
 ASSI (
   (( segid "    " and resid 16   and name HG23))
  OR 
   (( segid "    " and resid 16   and name HG22))
  OR 
   (( segid "    " and resid 16   and name HG21))
 )(
   (( segid "    " and resid 17   and name H   ))
  OR 
   (( segid "    " and resid 16   and name H   ))
 )
      2.400     0.700     0.700 peak   771 weight  0.10000E+01 volume  0.18150E+01 ppm1      1.095 ppm2      8.856
 ASSI (
   (( segid "    " and resid 16   and name HG23))
  OR 
   (( segid "    " and resid 16   and name HG22))
  OR 
   (( segid "    " and resid 16   and name HG21))
 )(
   (( segid "    " and resid 113  and name H   ))
  OR 
   (( segid "    " and resid 19   and name H   ))
 )
      3.200     1.300     1.300 peak   772 weight  0.10000E+01 volume  0.31600E+00 ppm1      1.097 ppm2      8.355
 ASSI (
   (( segid "    " and resid 16   and name HG23))
  OR 
   (( segid "    " and resid 16   and name HG22))
  OR 
   (( segid "    " and resid 16   and name HG21))
 )(
   (( segid "    " and resid 111  and name H   ))
  OR 
   (( segid "    " and resid 110  and name H   ))
 )
      3.200     1.300     1.300 peak   773 weight  0.10000E+01 volume  0.27900E+00 ppm1      1.090 ppm2      9.101
 ASSI (
   (( segid "    " and resid 16   and name HG23))
  OR 
   (( segid "    " and resid 16   and name HG22))
  OR 
   (( segid "    " and resid 16   and name HG21))
 )(
   (( segid "    " and resid 79   and name HA  ))
  OR 
   (( segid "    " and resid 17   and name HA  ))
 )
      3.300     1.400     1.400 peak   774 weight  0.10000E+01 volume  0.37100E+00 ppm1      1.096 ppm2      5.499
 ASSI (
   (( segid "    " and resid 16   and name HG23))
  OR 
   (( segid "    " and resid 16   and name HG22))
  OR 
   (( segid "    " and resid 16   and name HG21))
 )(
   (( segid "    " and resid 15   and name HA  ))
 )
      3.600     1.600     1.600 peak   775 weight  0.10000E+01 volume  0.22500E+00 ppm1      1.098 ppm2      5.396
 ASSI (
   (( segid "    " and resid 16   and name HG23))
  OR 
   (( segid "    " and resid 16   and name HG22))
  OR 
   (( segid "    " and resid 16   and name HG21))
 )(
   (( segid "    " and resid 80   and name HG3 ))
 )
      2.800     1.000     1.000 peak   776 weight  0.10000E+01 volume  0.64000E+00 ppm1      1.094 ppm2      2.230
 ASSI (
   (( segid "    " and resid 16   and name HG23))
  OR 
   (( segid "    " and resid 16   and name HG22))
  OR 
   (( segid "    " and resid 16   and name HG21))
 )(
   (( segid "    " and resid 109  and name HB2 ))
  OR 
   (( segid "    " and resid 88   and name HB2 ))
  OR 
   (( segid "    " and resid 80   and name HB2 ))
 )
      3.000     1.100     1.100 peak   778 weight  0.10000E+01 volume  0.45000E+00 ppm1      1.096 ppm2      1.983
 ASSI (
   (( segid "    " and resid 16   and name HG23))
  OR 
   (( segid "    " and resid 16   and name HG22))
  OR 
   (( segid "    " and resid 16   and name HG21))
 )(
   (( segid "    " and resid 80   and name HG2 ))
 )
      2.600     0.800     0.800 peak   779 weight  0.10000E+01 volume  0.99300E+00 ppm1      1.095 ppm2      1.766
 ASSI (
   (( segid "    " and resid 16   and name HG23))
  OR 
   (( segid "    " and resid 16   and name HG22))
  OR 
   (( segid "    " and resid 16   and name HG21))
 )(
   (( segid "    " and resid 110  and name HB2 ))
  OR 
   (( segid "    " and resid 20   and name HB3 ))
 )
      2.900     1.100     1.100 peak   780 weight  0.10000E+01 volume  0.50000E+00 ppm1      1.091 ppm2      1.629
 ASSI (
   (( segid "    " and resid 16   and name HG23))
  OR 
   (( segid "    " and resid 16   and name HG22))
  OR 
   (( segid "    " and resid 16   and name HG21))
 )(
   (( segid "    " and resid 110  and name HD23))
  OR 
   (( segid "    " and resid 110  and name HD22))
  OR 
   (( segid "    " and resid 110  and name HD21))
  OR 
   (( segid "    " and resid 110  and name HD13))
  OR 
   (( segid "    " and resid 110  and name HD12))
  OR 
   (( segid "    " and resid 110  and name HD11))
 )
      2.400     0.700     0.700 peak   782 weight  0.10000E+01 volume  0.29410E+01 ppm1      1.094 ppm2      0.754
 ASSI (
   (( segid "    " and resid 16   and name HG23))
  OR 
   (( segid "    " and resid 16   and name HG22))
  OR 
   (( segid "    " and resid 16   and name HG21))
 )(
   (( segid "    " and resid 112  and name HG23))
  OR 
   (( segid "    " and resid 112  and name HG22))
  OR 
   (( segid "    " and resid 112  and name HG21))
  OR 
   (( segid "    " and resid 14   and name HG12))
 )
      2.300     0.700     0.700 peak   783 weight  0.10000E+01 volume  0.37440E+01 ppm1      1.094 ppm2      0.894
 ASSI (
   (( segid "    " and resid 32   and name HG23))
  OR 
   (( segid "    " and resid 32   and name HG22))
  OR 
   (( segid "    " and resid 32   and name HG21))
 )(
   (( segid "    " and resid 32   and name HB  ))
 )
      2.300     0.700     0.700 peak   789 weight  0.10000E+01 volume  0.19700E+01 ppm1      1.402 ppm2      4.621
 ASSI (
   (( segid "    " and resid 32   and name HG23))
  OR 
   (( segid "    " and resid 32   and name HG22))
  OR 
   (( segid "    " and resid 32   and name HG21))
 )(
   (( segid "    " and resid 29   and name HB2 ))
 )
      2.600     0.800     0.800 peak   791 weight  0.10000E+01 volume  0.99800E+00 ppm1      1.402 ppm2      3.060
 ASSI (
   (( segid "    " and resid 32   and name HG23))
  OR 
   (( segid "    " and resid 32   and name HG22))
  OR 
   (( segid "    " and resid 32   and name HG21))
 )(
   (( segid "    " and resid 32   and name H   ))
  OR 
   (( segid "    " and resid 29   and name HD21))
 )
      2.600     0.800     0.800 peak   792 weight  0.10000E+01 volume  0.12520E+01 ppm1      1.402 ppm2      7.790
 ASSI (
   (( segid "    " and resid 32   and name HG23))
  OR 
   (( segid "    " and resid 32   and name HG22))
  OR 
   (( segid "    " and resid 32   and name HG21))
 )(
   (( segid "    " and resid 29   and name HD22))
 )
      3.700     1.700     1.700 peak   793 weight  0.10000E+01 volume  0.15600E+00 ppm1      1.407 ppm2      7.102
 ASSI (
   (( segid "    " and resid 32   and name HG23))
  OR 
   (( segid "    " and resid 32   and name HG22))
  OR 
   (( segid "    " and resid 32   and name HG21))
 )(
   (( segid "    " and resid 34   and name HD1 ))
 )
      3.800     1.800     1.800 peak   794 weight  0.10000E+01 volume  0.20400E+00 ppm1      1.399 ppm2      6.330
 ASSI (
   (( segid "    " and resid 31   and name HG23))
  OR 
   (( segid "    " and resid 31   and name HG22))
  OR 
   (( segid "    " and resid 31   and name HG21))
 )(
   (( segid "    " and resid 31   and name HB  ))
 )
      2.200     0.600     0.600 peak   795 weight  0.10000E+01 volume  0.30870E+01 ppm1      1.320 ppm2      4.280
 ASSI (
   (( segid "    " and resid 31   and name HG23))
  OR 
   (( segid "    " and resid 31   and name HG22))
  OR 
   (( segid "    " and resid 31   and name HG21))
 )(
   (( segid "    " and resid 31   and name HA  ))
 )
      2.300     0.700     0.700 peak   796 weight  0.10000E+01 volume  0.29390E+01 ppm1      1.319 ppm2      4.189
 ASSI (
   (( segid "    " and resid 31   and name HG23))
  OR 
   (( segid "    " and resid 31   and name HG22))
  OR 
   (( segid "    " and resid 31   and name HG21))
 )(
   (( segid "    " and resid 31   and name H   ))
 )
      2.600     0.800     0.800 peak   797 weight  0.10000E+01 volume  0.94600E+00 ppm1      1.321 ppm2      8.002
 ASSI (
   (( segid "    " and resid 31   and name HG23))
  OR 
   (( segid "    " and resid 31   and name HG22))
  OR 
   (( segid "    " and resid 31   and name HG21))
 )(
   (( segid "    " and resid 32   and name H   ))
  OR 
   (( segid "    " and resid 29   and name HD21))
 )
      3.500     1.500     1.500 peak   798 weight  0.10000E+01 volume  0.18500E+00 ppm1      1.319 ppm2      7.806
 ASSI (
   (( segid "    " and resid 61   and name HG23))
  OR 
   (( segid "    " and resid 61   and name HG22))
  OR 
   (( segid "    " and resid 61   and name HG21))
 )(
   (( segid "    " and resid 61   and name HB  ))
 )
      2.300     0.700     0.700 peak   799 weight  0.10000E+01 volume  0.20440E+01 ppm1      1.177 ppm2      4.002
 ASSI (
   (( segid "    " and resid 61   and name HG23))
  OR 
   (( segid "    " and resid 61   and name HG22))
  OR 
   (( segid "    " and resid 61   and name HG21))
 )(
   (( segid "    " and resid 62   and name HD3 ))
 )
      2.900     1.100     1.100 peak   800 weight  0.10000E+01 volume  0.48500E+00 ppm1      1.177 ppm2      3.820
 ASSI (
   (( segid "    " and resid 61   and name HG23))
  OR 
   (( segid "    " and resid 61   and name HG22))
  OR 
   (( segid "    " and resid 61   and name HG21))
  OR 
   (( segid "    " and resid 46   and name HG23))
  OR 
   (( segid "    " and resid 46   and name HG22))
  OR 
   (( segid "    " and resid 46   and name HG21))
 )(
   (( segid "    " and resid 62   and name HD2 ))
  OR 
   (( segid "    " and resid 48   and name HB2 ))
 )
      2.600     0.800     0.800 peak   801 weight  0.10000E+01 volume  0.10460E+01 ppm1      1.174 ppm2      3.647
 ASSI (
   (( segid "    " and resid 61   and name HG23))
  OR 
   (( segid "    " and resid 61   and name HG22))
  OR 
   (( segid "    " and resid 61   and name HG21))
 )(
   (( segid "    " and resid 61   and name HA  ))
 )
      2.600     0.800     0.800 peak   803 weight  0.10000E+01 volume  0.15580E+01 ppm1      1.177 ppm2      4.449
 ASSI (
   (( segid "    " and resid 65   and name HG23))
  OR 
   (( segid "    " and resid 65   and name HG22))
  OR 
   (( segid "    " and resid 65   and name HG21))
  OR 
   (( segid "    " and resid 46   and name HG22))
 )(
   (( segid "    " and resid 65   and name HA  ))
  OR 
   (( segid "    " and resid 49   and name HA  ))
 )
      3.100     1.200     1.200 peak   805 weight  0.10000E+01 volume  0.58900E+00 ppm1      1.180 ppm2      4.710
 ASSI (
   (( segid "    " and resid 61   and name HG23))
  OR 
   (( segid "    " and resid 61   and name HG22))
  OR 
   (( segid "    " and resid 61   and name HG21))
 )(
   (( segid "    " and resid 71   and name H   ))
  OR 
   (( segid "    " and resid 61   and name H   ))
 )
      3.000     1.100     1.100 peak   806 weight  0.10000E+01 volume  0.41600E+00 ppm1      1.179 ppm2      8.588
 ASSI (
   (( segid "    " and resid 65   and name HG23))
  OR 
   (( segid "    " and resid 65   and name HG22))
  OR 
   (( segid "    " and resid 65   and name HG21))
 )(
   (( segid "    " and resid 65   and name H   ))
 )
      3.300     1.400     1.400 peak   807 weight  0.10000E+01 volume  0.23800E+00 ppm1      1.179 ppm2      7.932
 ASSI (
   (( segid "    " and resid 61   and name HG23))
  OR 
   (( segid "    " and resid 61   and name HG22))
  OR 
   (( segid "    " and resid 61   and name HG21))
  OR 
   (( segid "    " and resid 46   and name HG23))
  OR 
   (( segid "    " and resid 46   and name HG22))
  OR 
   (( segid "    " and resid 46   and name HG21))
 )(
   (( segid "    " and resid 62   and name HG2 ))
  OR 
   (( segid "    " and resid 60   and name HG3 ))
  OR 
   (( segid "    " and resid 60   and name HG2 ))
  OR 
   (( segid "    " and resid 50   and name HB3 ))
  OR 
   (( segid "    " and resid 50   and name HB2 ))
 )
      3.200     1.300     1.300 peak   808 weight  0.10000E+01 volume  0.26600E+00 ppm1      1.179 ppm2      2.033
 ASSI (
   (( segid "    " and resid 46   and name HG13))
  OR 
   (( segid "    " and resid 46   and name HG12))
  OR 
   (( segid "    " and resid 46   and name HG11))
 )(
   (( segid "    " and resid 46   and name HB  ))
 )
      2.300     0.700     0.700 peak   810 weight  0.10000E+01 volume  0.23580E+01 ppm1      1.053 ppm2      2.178
 ASSI (
   (( segid "    " and resid 46   and name HG13))
  OR 
   (( segid "    " and resid 46   and name HG12))
  OR 
   (( segid "    " and resid 46   and name HG11))
 )(
   (( segid "    " and resid 45   and name HB3 ))
 )
      3.000     1.100     1.100 peak   811 weight  0.10000E+01 volume  0.44000E+00 ppm1      1.054 ppm2      2.714
 ASSI (
   (( segid "    " and resid 46   and name HG13))
  OR 
   (( segid "    " and resid 46   and name HG12))
  OR 
   (( segid "    " and resid 46   and name HG11))
 )(
   (( segid "    " and resid 45   and name HB2 ))
 )
      3.000     1.100     1.100 peak   812 weight  0.10000E+01 volume  0.46600E+00 ppm1      1.053 ppm2      2.777
 ASSI (
   (( segid "    " and resid 46   and name HG13))
  OR 
   (( segid "    " and resid 46   and name HG12))
  OR 
   (( segid "    " and resid 46   and name HG11))
 )(
   (( segid "    " and resid 46   and name HA  ))
 )
      2.600     0.800     0.800 peak   813 weight  0.10000E+01 volume  0.16190E+01 ppm1      1.054 ppm2      4.298
 ASSI (
   (( segid "    " and resid 46   and name HG13))
  OR 
   (( segid "    " and resid 46   and name HG12))
  OR 
   (( segid "    " and resid 46   and name HG11))
 )(
   (( segid "    " and resid 46   and name H   ))
 )
      2.600     0.800     0.800 peak   814 weight  0.10000E+01 volume  0.11160E+01 ppm1      1.054 ppm2      7.622
 ASSI (
   (( segid "    " and resid 46   and name HG13))
  OR 
   (( segid "    " and resid 46   and name HG12))
  OR 
   (( segid "    " and resid 46   and name HG11))
 )(
   (( segid "    " and resid 48   and name H   ))
 )
      3.100     1.200     1.200 peak   815 weight  0.10000E+01 volume  0.34900E+00 ppm1      1.065 ppm2      6.714
 ASSI (
   (( segid "    " and resid 46   and name HG13))
  OR 
   (( segid "    " and resid 46   and name HG12))
  OR 
   (( segid "    " and resid 46   and name HG11))
 )(
   (( segid "    " and resid 45   and name H   ))
 )
      3.400     1.400     1.400 peak   818 weight  0.10000E+01 volume  0.19300E+00 ppm1      1.053 ppm2      8.506
 ASSI (
   (( segid "    " and resid 46   and name HG13))
  OR 
   (( segid "    " and resid 46   and name HG12))
  OR 
   (( segid "    " and resid 46   and name HG11))
 )(
   (( segid "    " and resid 47   and name H   ))
 )
      2.700     0.900     0.900 peak   819 weight  0.10000E+01 volume  0.75900E+00 ppm1      1.052 ppm2      8.850
 ASSI (
   (( segid "    " and resid 70   and name HG23))
  OR 
   (( segid "    " and resid 70   and name HG22))
  OR 
   (( segid "    " and resid 70   and name HG21))
  OR 
   (( segid "    " and resid 70   and name HG13))
  OR 
   (( segid "    " and resid 70   and name HG12))
  OR 
   (( segid "    " and resid 70   and name HG11))
  OR 
   (( segid "    " and resid 7    and name HG23))
  OR 
   (( segid "    " and resid 7    and name HG22))
  OR 
   (( segid "    " and resid 7    and name HG21))
  OR 
   (( segid "    " and resid 7    and name HG13))
  OR 
   (( segid "    " and resid 7    and name HG12))
  OR 
   (( segid "    " and resid 7    and name HG11))
 )(
   (( segid "    " and resid 70   and name HB  ))
  OR 
   (( segid "    " and resid 7    and name HB  ))
 )
      2.200     0.600     0.600 peak   820 weight  0.10000E+01 volume  0.26550E+01 ppm1      0.988 ppm2      2.170
 ASSI (
   (( segid "    " and resid 37   and name HG23))
  OR 
   (( segid "    " and resid 37   and name HG22))
  OR 
   (( segid "    " and resid 7    and name HG23))
  OR 
   (( segid "    " and resid 7    and name HG22))
  OR 
   (( segid "    " and resid 7    and name HG21))
  OR 
   (( segid "    " and resid 7    and name HG13))
  OR 
   (( segid "    " and resid 7    and name HG12))
  OR 
   (( segid "    " and resid 7    and name HG11))
 )(
   (( segid "    " and resid 35   and name HG2 ))
  OR 
   (( segid "    " and resid 7    and name HB  ))
 )
      2.500     0.800     0.800 peak   821 weight  0.10000E+01 volume  0.11360E+01 ppm1      0.989 ppm2      2.147
 ASSI (
   (( segid "    " and resid 55   and name HG23))
  OR 
   (( segid "    " and resid 55   and name HG22))
  OR 
   (( segid "    " and resid 55   and name HG21))
  OR 
   (( segid "    " and resid 55   and name HG13))
  OR 
   (( segid "    " and resid 55   and name HG12))
  OR 
   (( segid "    " and resid 55   and name HG11))
  OR 
   (( segid "    " and resid 39   and name HG13))
  OR 
   (( segid "    " and resid 39   and name HG12))
  OR 
   (( segid "    " and resid 39   and name HG11))
 )(
   (( segid "    " and resid 48   and name HB2 ))
  OR 
   (( segid "    " and resid 40   and name HA3 ))
 )
      3.400     1.400     1.400 peak   823 weight  0.10000E+01 volume  0.27500E+00 ppm1      0.952 ppm2      3.640
 ASSI (
   (( segid "    " and resid 39   and name HG13))
  OR 
   (( segid "    " and resid 39   and name HG12))
  OR 
   (( segid "    " and resid 39   and name HG11))
 )(
   (( segid "    " and resid 39   and name HA  ))
 )
      2.700     0.900     0.900 peak   824 weight  0.10000E+01 volume  0.12070E+01 ppm1      0.953 ppm2      3.466
 ASSI (
   (( segid "    " and resid 37   and name HG23))
  OR 
   (( segid "    " and resid 37   and name HG22))
  OR 
   (( segid "    " and resid 37   and name HG21))
 )(
   (( segid "    " and resid 42   and name HA  ))
 )
      2.400     0.700     0.700 peak   826 weight  0.10000E+01 volume  0.24470E+01 ppm1      0.991 ppm2      3.738
 ASSI (
   (( segid "    " and resid 37   and name HG23))
  OR 
   (( segid "    " and resid 37   and name HG22))
  OR 
   (( segid "    " and resid 37   and name HG21))
 )(
   (( segid "    " and resid 93   and name HB  ))
  OR 
   (( segid "    " and resid 41   and name HB3 ))
  OR 
   (( segid "    " and resid 39   and name HA  ))
 )
      3.100     1.200     1.200 peak   827 weight  0.10000E+01 volume  0.40500E+00 ppm1      1.018 ppm2      3.466
 ASSI (
   (( segid "    " and resid 70   and name HG23))
  OR 
   (( segid "    " and resid 70   and name HG22))
  OR 
   (( segid "    " and resid 70   and name HG21))
  OR 
   (( segid "    " and resid 70   and name HG13))
  OR 
   (( segid "    " and resid 70   and name HG12))
  OR 
   (( segid "    " and resid 70   and name HG11))
 )(
   (( segid "    " and resid 60   and name HD3 ))
 )
      3.000     1.100     1.100 peak   828 weight  0.10000E+01 volume  0.39600E+00 ppm1      0.990 ppm2      3.415
 ASSI (
   (( segid "    " and resid 70   and name HG23))
  OR 
   (( segid "    " and resid 70   and name HG22))
  OR 
   (( segid "    " and resid 70   and name HG21))
  OR 
   (( segid "    " and resid 70   and name HG13))
  OR 
   (( segid "    " and resid 70   and name HG12))
  OR 
   (( segid "    " and resid 70   and name HG11))
  OR 
   (( segid "    " and resid 7    and name HG23))
  OR 
   (( segid "    " and resid 7    and name HG22))
  OR 
   (( segid "    " and resid 7    and name HG21))
  OR 
   (( segid "    " and resid 7    and name HG13))
  OR 
   (( segid "    " and resid 7    and name HG12))
  OR 
   (( segid "    " and resid 7    and name HG11))
 )(
   (( segid "    " and resid 70   and name HA  ))
  OR 
   (( segid "    " and resid 7    and name HA  ))
 )
      2.800     1.000     1.000 peak   829 weight  0.10000E+01 volume  0.10880E+01 ppm1      0.991 ppm2      4.230
 ASSI (
   (( segid "    " and resid 112  and name HG23))
  OR 
   (( segid "    " and resid 112  and name HG22))
  OR 
   (( segid "    " and resid 112  and name HG21))
  OR 
   (( segid "    " and resid 14   and name HG23))
  OR 
   (( segid "    " and resid 14   and name HG22))
  OR 
   (( segid "    " and resid 14   and name HG21))
  OR 
   (( segid "    " and resid 14   and name HG13))
  OR 
   (( segid "    " and resid 14   and name HG12))
  OR 
   (( segid "    " and resid 14   and name HG11))
 )(
   (( segid "    " and resid 80   and name HD3 ))
  OR 
   (( segid "    " and resid 16   and name HB  ))
 )
      2.500     0.800     0.800 peak   830 weight  0.10000E+01 volume  0.14100E+01 ppm1      0.888 ppm2      3.908
 ASSI (
   (( segid "    " and resid 68   and name HG23))
  OR 
   (( segid "    " and resid 68   and name HG22))
  OR 
   (( segid "    " and resid 68   and name HG21))
  OR 
   (( segid "    " and resid 68   and name HG13))
  OR 
   (( segid "    " and resid 68   and name HG12))
  OR 
   (( segid "    " and resid 68   and name HG11))
 )(
   (( segid "    " and resid 68   and name HA  ))
 )
      2.600     0.800     0.800 peak   832 weight  0.10000E+01 volume  0.14130E+01 ppm1      0.953 ppm2      4.102
 ASSI (
   (( segid "    " and resid 7    and name HG23))
  OR 
   (( segid "    " and resid 7    and name HG22))
  OR 
   (( segid "    " and resid 7    and name HG21))
  OR 
   (( segid "    " and resid 7    and name HG13))
  OR 
   (( segid "    " and resid 7    and name HG12))
  OR 
   (( segid "    " and resid 7    and name HG11))
 )(
   (( segid "    " and resid 7    and name HA  ))
  OR 
   (( segid "    " and resid 6    and name HA  ))
 )
      3.000     1.100     1.100 peak   833 weight  0.10000E+01 volume  0.70500E+00 ppm1      0.989 ppm2      4.218
 ASSI (
   (( segid "    " and resid 37   and name HG23))
  OR 
   (( segid "    " and resid 37   and name HG22))
  OR 
   (( segid "    " and resid 37   and name HG21))
 )(
   (( segid "    " and resid 37   and name HB  ))
 )
      2.300     0.700     0.700 peak   834 weight  0.10000E+01 volume  0.18750E+01 ppm1      1.018 ppm2      4.071
 ASSI (
   (( segid "    " and resid 70   and name HG23))
  OR 
   (( segid "    " and resid 70   and name HG22))
  OR 
   (( segid "    " and resid 70   and name HG21))
  OR 
   (( segid "    " and resid 70   and name HG13))
  OR 
   (( segid "    " and resid 70   and name HG12))
  OR 
   (( segid "    " and resid 70   and name HG11))
 )(
   (( segid "    " and resid 69   and name HA3 ))
  OR 
   (( segid "    " and resid 69   and name HA2 ))
  OR 
   (( segid "    " and resid 61   and name HB  ))
 )
      3.100     1.200     1.200 peak   835 weight  0.10000E+01 volume  0.45400E+00 ppm1      0.940 ppm2      3.990
 ASSI (
   (( segid "    " and resid 68   and name HG23))
  OR 
   (( segid "    " and resid 68   and name HG22))
  OR 
   (( segid "    " and resid 68   and name HG21))
  OR 
   (( segid "    " and resid 68   and name HG13))
  OR 
   (( segid "    " and resid 68   and name HG12))
  OR 
   (( segid "    " and resid 68   and name HG11))
  OR 
   (( segid "    " and resid 39   and name HG13))
  OR 
   (( segid "    " and resid 39   and name HG12))
  OR 
   (( segid "    " and resid 39   and name HG11))
  OR 
   (( segid "    " and resid 7    and name HG23))
  OR 
   (( segid "    " and resid 7    and name HG22))
  OR 
   (( segid "    " and resid 7    and name HG21))
  OR 
   (( segid "    " and resid 7    and name HG13))
  OR 
   (( segid "    " and resid 7    and name HG12))
  OR 
   (( segid "    " and resid 7    and name HG11))
 )(
   (( segid "    " and resid 88   and name HA  ))
  OR 
   (( segid "    " and resid 67   and name HA  ))
  OR 
   (( segid "    " and resid 40   and name HA2 ))
  OR 
   (( segid "    " and resid 4    and name HA  ))
 )
      3.000     1.100     1.100 peak   837 weight  0.10000E+01 volume  0.62400E+00 ppm1      0.958 ppm2      4.436
 ASSI (
   (( segid "    " and resid 37   and name HG23))
  OR 
   (( segid "    " and resid 37   and name HG22))
  OR 
   (( segid "    " and resid 37   and name HG21))
 )(
   (( segid "    " and resid 37   and name HA  ))
  OR 
   (( segid "    " and resid 35   and name HA  ))
 )
      3.000     1.100     1.100 peak   838 weight  0.10000E+01 volume  0.70500E+00 ppm1      1.020 ppm2      4.560
 ASSI (
   (( segid "    " and resid 70   and name HG23))
  OR 
   (( segid "    " and resid 70   and name HG22))
  OR 
   (( segid "    " and resid 70   and name HG21))
  OR 
   (( segid "    " and resid 70   and name HG13))
  OR 
   (( segid "    " and resid 70   and name HG12))
  OR 
   (( segid "    " and resid 70   and name HG11))
  OR 
   (( segid "    " and resid 37   and name HG21))
  OR 
   (( segid "    " and resid 7    and name HG23))
  OR 
   (( segid "    " and resid 7    and name HG13))
  OR 
   (( segid "    " and resid 7    and name HG12))
  OR 
   (( segid "    " and resid 7    and name HG11))
 )(
   (( segid "    " and resid 67   and name HA  ))
  OR 
   (( segid "    " and resid 62   and name HA  ))
  OR 
   (( segid "    " and resid 61   and name HA  ))
  OR 
   (( segid "    " and resid 59   and name HA  ))
  OR 
   (( segid "    " and resid 40   and name HA2 ))
  OR 
   (( segid "    " and resid 4    and name HA  ))
 )
      2.600     0.800     0.800 peak   839 weight  0.10000E+01 volume  0.14350E+01 ppm1      0.986 ppm2      4.444
 ASSI (
   (( segid "    " and resid 39   and name HG13))
  OR 
   (( segid "    " and resid 39   and name HG12))
  OR 
   (( segid "    " and resid 39   and name HG11))
 )(
   (( segid "    " and resid 40   and name H   ))
 )
      2.700     0.900     0.900 peak   840 weight  0.10000E+01 volume  0.87000E+00 ppm1      0.953 ppm2      8.400
 ASSI (
   (( segid "    " and resid 7    and name HG23))
  OR 
   (( segid "    " and resid 7    and name HG22))
  OR 
   (( segid "    " and resid 7    and name HG21))
  OR 
   (( segid "    " and resid 7    and name HG13))
  OR 
   (( segid "    " and resid 7    and name HG12))
  OR 
   (( segid "    " and resid 7    and name HG11))
 )(
   (( segid "    " and resid 8    and name H   ))
 )
      3.000     1.100     1.100 peak   841 weight  0.10000E+01 volume  0.41600E+00 ppm1      0.989 ppm2      8.465
 ASSI (
   (( segid "    " and resid 68   and name HG23))
  OR 
   (( segid "    " and resid 68   and name HG22))
  OR 
   (( segid "    " and resid 68   and name HG21))
  OR 
   (( segid "    " and resid 68   and name HG13))
  OR 
   (( segid "    " and resid 68   and name HG12))
  OR 
   (( segid "    " and resid 68   and name HG11))
 )(
   (( segid "    " and resid 70   and name H   ))
  OR 
   (( segid "    " and resid 68   and name H   ))
 )
      2.600     0.800     0.800 peak   843 weight  0.10000E+01 volume  0.93400E+00 ppm1      0.958 ppm2      8.048
 ASSI (
   (( segid "    " and resid 70   and name HG23))
  OR 
   (( segid "    " and resid 70   and name HG22))
  OR 
   (( segid "    " and resid 70   and name HG21))
  OR 
   (( segid "    " and resid 70   and name HG13))
  OR 
   (( segid "    " and resid 70   and name HG12))
  OR 
   (( segid "    " and resid 70   and name HG11))
 )(
   (( segid "    " and resid 70   and name H   ))
 )
      2.500     0.800     0.800 peak   844 weight  0.10000E+01 volume  0.11370E+01 ppm1      0.942 ppm2      8.028
 ASSI (
   (( segid "    " and resid 55   and name HG23))
  OR 
   (( segid "    " and resid 55   and name HG22))
  OR 
   (( segid "    " and resid 55   and name HG21))
  OR 
   (( segid "    " and resid 55   and name HG13))
  OR 
   (( segid "    " and resid 55   and name HG12))
  OR 
   (( segid "    " and resid 55   and name HG11))
 )(
   (( segid "    " and resid 57   and name HE3 ))
  OR 
   (( segid "    " and resid 57   and name HE2 ))
 )
      2.900     1.100     1.100 peak   846 weight  0.10000E+01 volume  0.49000E+00 ppm1      0.945 ppm2      2.875
 ASSI (
   (( segid "    " and resid 55   and name HG23))
  OR 
   (( segid "    " and resid 55   and name HG22))
  OR 
   (( segid "    " and resid 55   and name HG21))
  OR 
   (( segid "    " and resid 55   and name HG13))
  OR 
   (( segid "    " and resid 55   and name HG12))
  OR 
   (( segid "    " and resid 55   and name HG11))
 )(
   (( segid "    " and resid 56   and name HA  ))
 )
      3.800     1.800     1.800 peak   847 weight  0.10000E+01 volume  0.15400E+00 ppm1      0.938 ppm2      5.361
 ASSI (
   (( segid "    " and resid 55   and name HG23))
  OR 
   (( segid "    " and resid 55   and name HG22))
  OR 
   (( segid "    " and resid 55   and name HG21))
  OR 
   (( segid "    " and resid 55   and name HG13))
  OR 
   (( segid "    " and resid 55   and name HG12))
  OR 
   (( segid "    " and resid 55   and name HG11))
  OR 
   (( segid "    " and resid 39   and name HG22))
  OR 
   (( segid "    " and resid 39   and name HG13))
  OR 
   (( segid "    " and resid 39   and name HG12))
  OR 
   (( segid "    " and resid 39   and name HG11))
 )(
   (( segid "    " and resid 55   and name H   ))
  OR 
   (( segid "    " and resid 41   and name H   ))
 )
      2.600     0.800     0.800 peak   849 weight  0.10000E+01 volume  0.92200E+00 ppm1      0.928 ppm2      8.603
 ASSI (
   (( segid "    " and resid 39   and name HG13))
  OR 
   (( segid "    " and resid 39   and name HG12))
  OR 
   (( segid "    " and resid 39   and name HG11))
  OR 
   (( segid "    " and resid 7    and name HG23))
  OR 
   (( segid "    " and resid 7    and name HG22))
  OR 
   (( segid "    " and resid 7    and name HG21))
  OR 
   (( segid "    " and resid 7    and name HG13))
  OR 
   (( segid "    " and resid 7    and name HG12))
  OR 
   (( segid "    " and resid 7    and name HG11))
 )(
   (( segid "    " and resid 39   and name H   ))
  OR 
   (( segid "    " and resid 7    and name H   ))
 )
      2.700     0.900     0.900 peak   850 weight  0.10000E+01 volume  0.84000E+00 ppm1      0.954 ppm2      8.659
 ASSI (
   (( segid "    " and resid 55   and name HG23))
  OR 
   (( segid "    " and resid 55   and name HG22))
  OR 
   (( segid "    " and resid 55   and name HG21))
  OR 
   (( segid "    " and resid 55   and name HG13))
  OR 
   (( segid "    " and resid 55   and name HG12))
  OR 
   (( segid "    " and resid 55   and name HG11))
 )(
   (( segid "    " and resid 56   and name H   ))
 )
      2.400     0.700     0.700 peak   851 weight  0.10000E+01 volume  0.15160E+01 ppm1      0.946 ppm2      9.147
 ASSI (
   (( segid "    " and resid 112  and name HG23))
  OR 
   (( segid "    " and resid 112  and name HG22))
  OR 
   (( segid "    " and resid 112  and name HG21))
  OR 
   (( segid "    " and resid 14   and name HG23))
  OR 
   (( segid "    " and resid 14   and name HG22))
  OR 
   (( segid "    " and resid 14   and name HG21))
  OR 
   (( segid "    " and resid 14   and name HG13))
  OR 
   (( segid "    " and resid 14   and name HG12))
  OR 
   (( segid "    " and resid 14   and name HG11))
 )(
   (( segid "    " and resid 112  and name H   ))
  OR 
   (( segid "    " and resid 86   and name H   ))
  OR 
   (( segid "    " and resid 15   and name H   ))
 )
      2.100     0.600     0.600 peak   852 weight  0.10000E+01 volume  0.33260E+01 ppm1      0.887 ppm2      8.779
 ASSI (
   (( segid "    " and resid 112  and name HG23))
  OR 
   (( segid "    " and resid 112  and name HG22))
  OR 
   (( segid "    " and resid 112  and name HG21))
 )(
   (( segid "    " and resid 86   and name HD2 ))
 )
      3.000     1.100     1.100 peak   853 weight  0.10000E+01 volume  0.76400E+00 ppm1      0.887 ppm2      6.575
 ASSI (
   (( segid "    " and resid 112  and name HG23))
  OR 
   (( segid "    " and resid 112  and name HG22))
  OR 
   (( segid "    " and resid 112  and name HG21))
 )(
   (( segid "    " and resid 113  and name H   ))
  OR 
   (( segid "    " and resid 19   and name H   ))
 )
      3.300     1.400     1.400 peak   854 weight  0.10000E+01 volume  0.24200E+00 ppm1      0.887 ppm2      8.354
 ASSI (
   (( segid "    " and resid 112  and name HG23))
  OR 
   (( segid "    " and resid 112  and name HG22))
  OR 
   (( segid "    " and resid 112  and name HG21))
  OR 
   (( segid "    " and resid 42   and name HG13))
  OR 
   (( segid "    " and resid 42   and name HG12))
  OR 
   (( segid "    " and resid 42   and name HG11))
  OR 
   (( segid "    " and resid 14   and name HG23))
  OR 
   (( segid "    " and resid 14   and name HG22))
  OR 
   (( segid "    " and resid 14   and name HG21))
  OR 
   (( segid "    " and resid 14   and name HG13))
  OR 
   (( segid "    " and resid 14   and name HG12))
  OR 
   (( segid "    " and resid 14   and name HG11))
 )(
   (( segid "    " and resid 111  and name H   ))
  OR 
   (( segid "    " and resid 110  and name H   ))
  OR 
   (( segid "    " and resid 37   and name H   ))
 )
      2.600     0.800     0.800 peak   855 weight  0.10000E+01 volume  0.96400E+00 ppm1      0.889 ppm2      9.084
 ASSI (
   (( segid "    " and resid 39   and name HG23))
  OR 
   (( segid "    " and resid 39   and name HG22))
  OR 
   (( segid "    " and resid 39   and name HG21))
  OR 
   (( segid "    " and resid 14   and name HG23))
  OR 
   (( segid "    " and resid 14   and name HG21))
  OR 
   (( segid "    " and resid 14   and name HG13))
  OR 
   (( segid "    " and resid 14   and name HG12))
  OR 
   (( segid "    " and resid 14   and name HG11))
 )(
   (( segid "    " and resid 91   and name HA  ))
  OR 
   (( segid "    " and resid 38   and name HA  ))
  OR 
   (( segid "    " and resid 13   and name HA  ))
 )
      3.600     1.600     1.600 peak   856 weight  0.10000E+01 volume  0.22700E+00 ppm1      0.901 ppm2      5.157
 ASSI (
   (( segid "    " and resid 112  and name HG23))
  OR 
   (( segid "    " and resid 112  and name HG22))
  OR 
   (( segid "    " and resid 112  and name HG21))
  OR 
   (( segid "    " and resid 14   and name HG23))
  OR 
   (( segid "    " and resid 14   and name HG22))
  OR 
   (( segid "    " and resid 14   and name HG21))
  OR 
   (( segid "    " and resid 14   and name HG13))
  OR 
   (( segid "    " and resid 14   and name HG12))
  OR 
   (( segid "    " and resid 14   and name HG11))
 )(
   (( segid "    " and resid 110  and name HA  ))
 )
      3.000     1.100     1.100 peak   857 weight  0.10000E+01 volume  0.72200E+00 ppm1      0.885 ppm2      4.953
 ASSI (
   (( segid "    " and resid 55   and name HG23))
  OR 
   (( segid "    " and resid 55   and name HG22))
  OR 
   (( segid "    " and resid 55   and name HG21))
  OR 
   (( segid "    " and resid 55   and name HG13))
  OR 
   (( segid "    " and resid 55   and name HG12))
  OR 
   (( segid "    " and resid 55   and name HG11))
  OR 
   (( segid "    " and resid 39   and name HG23))
  OR 
   (( segid "    " and resid 39   and name HG22))
  OR 
   (( segid "    " and resid 39   and name HG21))
  OR 
   (( segid "    " and resid 14   and name HG23))
  OR 
   (( segid "    " and resid 14   and name HG22))
  OR 
   (( segid "    " and resid 14   and name HG21))
  OR 
   (( segid "    " and resid 14   and name HG13))
  OR 
   (( segid "    " and resid 14   and name HG12))
  OR 
   (( segid "    " and resid 14   and name HG11))
 )(
   (( segid "    " and resid 110  and name HA  ))
  OR 
   (( segid "    " and resid 107  and name HA  ))
  OR 
   (( segid "    " and resid 76   and name HA  ))
 )
      2.900     1.100     1.100 peak   858 weight  0.10000E+01 volume  0.77600E+00 ppm1      0.902 ppm2      4.952
 ASSI (
   (( segid "    " and resid 112  and name HG23))
  OR 
   (( segid "    " and resid 112  and name HG22))
  OR 
   (( segid "    " and resid 112  and name HG21))
  OR 
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 78   and name HG23))
  OR 
   (( segid "    " and resid 42   and name HG13))
  OR 
   (( segid "    " and resid 42   and name HG12))
  OR 
   (( segid "    " and resid 42   and name HG11))
 )(
   (( segid "    " and resid 112  and name HA  ))
  OR 
   (( segid "    " and resid 43   and name HA3 ))
  OR 
   (( segid "    " and resid 42   and name HA  ))
  OR 
   (( segid "    " and resid 22   and name HB  ))
 )
      2.500     0.800     0.800 peak   859 weight  0.10000E+01 volume  0.18880E+01 ppm1      0.859 ppm2      3.715
 ASSI (
   (( segid "    " and resid 42   and name HG12))
  OR 
   (( segid "    " and resid 14   and name HG23))
  OR 
   (( segid "    " and resid 14   and name HG22))
  OR 
   (( segid "    " and resid 14   and name HG21))
  OR 
   (( segid "    " and resid 14   and name HG13))
  OR 
   (( segid "    " and resid 14   and name HG12))
  OR 
   (( segid "    " and resid 14   and name HG11))
 )(
   (( segid "    " and resid 41   and name HB2 ))
  OR 
   (( segid "    " and resid 12   and name HE3 ))
  OR 
   (( segid "    " and resid 12   and name HE2 ))
 )
      3.100     1.200     1.200 peak   860 weight  0.10000E+01 volume  0.37600E+00 ppm1      0.885 ppm2      2.934
 ASSI (
   (( segid "    " and resid 112  and name HG23))
  OR 
   (( segid "    " and resid 112  and name HG22))
  OR 
   (( segid "    " and resid 112  and name HG21))
 )(
   (( segid "    " and resid 112  and name HB  ))
 )
      2.500     0.800     0.800 peak   861 weight  0.10000E+01 volume  0.12150E+01 ppm1      0.886 ppm2      2.656
 ASSI (
   (( segid "    " and resid 112  and name HG23))
  OR 
   (( segid "    " and resid 112  and name HG22))
  OR 
   (( segid "    " and resid 112  and name HG21))
 )(
   (( segid "    " and resid 80   and name HB3 ))
 )
      2.500     0.800     0.800 peak   862 weight  0.10000E+01 volume  0.13210E+01 ppm1      0.888 ppm2      2.202
 ASSI (
   (( segid "    " and resid 112  and name HG23))
  OR 
   (( segid "    " and resid 112  and name HG22))
  OR 
   (( segid "    " and resid 112  and name HG21))
  OR 
   (( segid "    " and resid 42   and name HG13))
  OR 
   (( segid "    " and resid 42   and name HG12))
  OR 
   (( segid "    " and resid 42   and name HG11))
  OR 
   (( segid "    " and resid 14   and name HG23))
  OR 
   (( segid "    " and resid 14   and name HG22))
  OR 
   (( segid "    " and resid 14   and name HG21))
  OR 
   (( segid "    " and resid 14   and name HG13))
  OR 
   (( segid "    " and resid 14   and name HG12))
  OR 
   (( segid "    " and resid 14   and name HG11))
 )(
   (( segid "    " and resid 110  and name HB2 ))
  OR 
   (( segid "    " and resid 99   and name HG13))
  OR 
   (( segid "    " and resid 95   and name HG2 ))
  OR 
   (( segid "    " and resid 12   and name HD3 ))
  OR 
   (( segid "    " and resid 12   and name HD2 ))
  OR 
   (( segid "    " and resid 12   and name HB3 ))
  OR 
   (( segid "    " and resid 12   and name HB2 ))
 )
      2.300     0.700     0.700 peak   864 weight  0.10000E+01 volume  0.20860E+01 ppm1      0.885 ppm2      1.701
 ASSI (
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 78   and name HG23))
  OR 
   (( segid "    " and resid 78   and name HG22))
  OR 
   (( segid "    " and resid 78   and name HG21))
  OR 
   (( segid "    " and resid 18   and name HG23))
  OR 
   (( segid "    " and resid 18   and name HG22))
  OR 
   (( segid "    " and resid 18   and name HG21))
  OR 
   (( segid "    " and resid 18   and name HG13))
  OR 
   (( segid "    " and resid 18   and name HG12))
  OR 
   (( segid "    " and resid 18   and name HG11))
 )(
   (( segid "    " and resid 80   and name HG3 ))
  OR 
   (( segid "    " and resid 80   and name HB3 ))
 )
      3.200     1.300     1.300 peak   868 weight  0.10000E+01 volume  0.29700E+00 ppm1      0.828 ppm2      2.224
 ASSI (
   (( segid "    " and resid 18   and name HG23))
  OR 
   (( segid "    " and resid 18   and name HG22))
  OR 
   (( segid "    " and resid 18   and name HG21))
  OR 
   (( segid "    " and resid 18   and name HG13))
  OR 
   (( segid "    " and resid 18   and name HG12))
  OR 
   (( segid "    " and resid 18   and name HG11))
 )(
   (( segid "    " and resid 18   and name HB  ))
 )
      2.000     0.500     0.500 peak   869 weight  0.10000E+01 volume  0.46880E+01 ppm1      0.826 ppm2      1.904
 ASSI (
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 78   and name HG23))
  OR 
   (( segid "    " and resid 78   and name HG22))
  OR 
   (( segid "    " and resid 78   and name HG21))
  OR 
   (( segid "    " and resid 75   and name HG23))
  OR 
   (( segid "    " and resid 75   and name HG22))
  OR 
   (( segid "    " and resid 75   and name HG21))
  OR 
   (( segid "    " and resid 18   and name HG23))
  OR 
   (( segid "    " and resid 18   and name HG22))
  OR 
   (( segid "    " and resid 18   and name HG21))
  OR 
   (( segid "    " and resid 18   and name HG13))
  OR 
   (( segid "    " and resid 18   and name HG12))
  OR 
   (( segid "    " and resid 18   and name HG11))
 )(
   (( segid "    " and resid 113  and name HB3 ))
  OR 
   (( segid "    " and resid 83   and name HG3 ))
  OR 
   (( segid "    " and resid 82   and name HB3 ))
  OR 
   (( segid "    " and resid 79   and name HB3 ))
  OR 
   (( segid "    " and resid 77   and name HG  ))
  OR 
   (( segid "    " and resid 52   and name HG  ))
 )
      2.600     0.800     0.800 peak   870 weight  0.10000E+01 volume  0.91100E+00 ppm1      0.822 ppm2      1.514
 ASSI (
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 78   and name HG23))
  OR 
   (( segid "    " and resid 78   and name HG22))
  OR 
   (( segid "    " and resid 78   and name HG21))
  OR 
   (( segid "    " and resid 42   and name HG13))
  OR 
   (( segid "    " and resid 42   and name HG12))
  OR 
   (( segid "    " and resid 42   and name HG11))
  OR 
   (( segid "    " and resid 18   and name HG22))
  OR 
   (( segid "    " and resid 18   and name HG13))
  OR 
   (( segid "    " and resid 18   and name HG11))
 )(
   (( segid "    " and resid 110  and name HB3 ))
  OR 
   (( segid "    " and resid 94   and name HB2 ))
  OR 
   (( segid "    " and resid 24   and name HG12))
 )
      2.800     1.000     1.000 peak   871 weight  0.10000E+01 volume  0.71800E+00 ppm1      0.825 ppm2      1.149
 ASSI (
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 78   and name HG23))
  OR 
   (( segid "    " and resid 78   and name HG22))
  OR 
   (( segid "    " and resid 78   and name HG21))
  OR 
   (( segid "    " and resid 18   and name HG23))
  OR 
   (( segid "    " and resid 18   and name HG22))
  OR 
   (( segid "    " and resid 18   and name HG21))
  OR 
   (( segid "    " and resid 18   and name HG13))
  OR 
   (( segid "    " and resid 18   and name HG12))
  OR 
   (( segid "    " and resid 18   and name HG11))
 )(
   (( segid "    " and resid 88   and name HA  ))
  OR 
   (( segid "    " and resid 84   and name HA2 ))
  OR 
   (( segid "    " and resid 81   and name HA  ))
 )
      2.600     0.800     0.800 peak   872 weight  0.10000E+01 volume  0.13770E+01 ppm1      0.828 ppm2      4.414
 ASSI (
   (( segid "    " and resid 78   and name HG23))
  OR 
   (( segid "    " and resid 78   and name HG22))
  OR 
   (( segid "    " and resid 78   and name HG21))
 )(
   (( segid "    " and resid 78   and name HA  ))
 )
      2.800     1.000     1.000 peak   873 weight  0.10000E+01 volume  0.96400E+00 ppm1      0.825 ppm2      5.088
 ASSI (
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 42   and name HG13))
  OR 
   (( segid "    " and resid 42   and name HG12))
  OR 
   (( segid "    " and resid 42   and name HG11))
  OR 
   (( segid "    " and resid 18   and name HG23))
  OR 
   (( segid "    " and resid 18   and name HG22))
  OR 
   (( segid "    " and resid 18   and name HG21))
  OR 
   (( segid "    " and resid 18   and name HG13))
  OR 
   (( segid "    " and resid 18   and name HG12))
  OR 
   (( segid "    " and resid 18   and name HG11))
 )(
   (( segid "    " and resid 113  and name HG2 ))
  OR 
   (( segid "    " and resid 44   and name HG2 ))
  OR 
   (( segid "    " and resid 20   and name HD2 ))
 )
      3.200     1.300     1.300 peak   874 weight  0.10000E+01 volume  0.30200E+00 ppm1      0.826 ppm2      1.311
 ASSI (
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 18   and name HG23))
  OR 
   (( segid "    " and resid 18   and name HG22))
  OR 
   (( segid "    " and resid 18   and name HG21))
  OR 
   (( segid "    " and resid 18   and name HG13))
  OR 
   (( segid "    " and resid 18   and name HG12))
  OR 
   (( segid "    " and resid 18   and name HG11))
 )(
   (( segid "    " and resid 19   and name HA2 ))
 )
      3.300     1.400     1.400 peak   875 weight  0.10000E+01 volume  0.38200E+00 ppm1      0.828 ppm2      3.569
 ASSI (
   (( segid "    " and resid 78   and name HG23))
  OR 
   (( segid "    " and resid 78   and name HG22))
  OR 
   (( segid "    " and resid 78   and name HG21))
  OR 
   (( segid "    " and resid 42   and name HG13))
  OR 
   (( segid "    " and resid 42   and name HG12))
  OR 
   (( segid "    " and resid 42   and name HG11))
 )(
   (( segid "    " and resid 43   and name HA3 ))
  OR 
   (( segid "    " and resid 42   and name HA  ))
  OR 
   (( segid "    " and resid 22   and name HB  ))
 )
      2.000     0.500     0.500 peak   876 weight  0.10000E+01 volume  0.66460E+01 ppm1      0.828 ppm2      3.683
 ASSI (
   (( segid "    " and resid 78   and name HG23))
  OR 
   (( segid "    " and resid 78   and name HG22))
  OR 
   (( segid "    " and resid 78   and name HG21))
  OR 
   (( segid "    " and resid 42   and name HG13))
  OR 
   (( segid "    " and resid 42   and name HG12))
  OR 
   (( segid "    " and resid 42   and name HG11))
 )(
   (( segid "    " and resid 95   and name HA  ))
  OR 
   (( segid "    " and resid 80   and name HD3 ))
 )
      3.100     1.200     1.200 peak   877 weight  0.10000E+01 volume  0.47200E+00 ppm1      0.829 ppm2      3.869
 ASSI (
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 78   and name HG23))
  OR 
   (( segid "    " and resid 78   and name HG22))
  OR 
   (( segid "    " and resid 78   and name HG21))
  OR 
   (( segid "    " and resid 18   and name HG23))
  OR 
   (( segid "    " and resid 18   and name HG22))
  OR 
   (( segid "    " and resid 18   and name HG21))
  OR 
   (( segid "    " and resid 18   and name HG13))
  OR 
   (( segid "    " and resid 18   and name HG12))
  OR 
   (( segid "    " and resid 18   and name HG11))
 )(
   (( segid "    " and resid 79   and name HA  ))
  OR 
   (( segid "    " and resid 17   and name HA  ))
 )
      3.400     1.400     1.400 peak   878 weight  0.10000E+01 volume  0.29700E+00 ppm1      0.830 ppm2      5.503
 ASSI (
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 18   and name HG23))
  OR 
   (( segid "    " and resid 18   and name HG22))
  OR 
   (( segid "    " and resid 18   and name HG21))
  OR 
   (( segid "    " and resid 18   and name HG13))
  OR 
   (( segid "    " and resid 18   and name HG12))
  OR 
   (( segid "    " and resid 18   and name HG11))
 )(
   (( segid "    " and resid 113  and name H   ))
  OR 
   (( segid "    " and resid 19   and name H   ))
 )
      2.600     0.800     0.800 peak   879 weight  0.10000E+01 volume  0.10780E+01 ppm1      0.827 ppm2      8.375
 ASSI (
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 18   and name HG23))
  OR 
   (( segid "    " and resid 18   and name HG22))
  OR 
   (( segid "    " and resid 18   and name HG21))
  OR 
   (( segid "    " and resid 18   and name HG13))
  OR 
   (( segid "    " and resid 18   and name HG12))
  OR 
   (( segid "    " and resid 18   and name HG11))
 )(
   (( segid "    " and resid 83   and name H   ))
  OR 
   (( segid "    " and resid 18   and name H   ))
 )
      2.900     1.100     1.100 peak   880 weight  0.10000E+01 volume  0.55200E+00 ppm1      0.828 ppm2      8.701
 ASSI (
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 78   and name HG23))
  OR 
   (( segid "    " and resid 78   and name HG22))
  OR 
   (( segid "    " and resid 78   and name HG21))
 )(
   (( segid "    " and resid 84   and name H   ))
  OR 
   (( segid "    " and resid 78   and name H   ))
 )
      2.500     0.800     0.800 peak   881 weight  0.10000E+01 volume  0.13060E+01 ppm1      0.828 ppm2      9.029
 ASSI (
   (( segid "    " and resid 78   and name HG23))
  OR 
   (( segid "    " and resid 78   and name HG22))
  OR 
   (( segid "    " and resid 78   and name HG21))
 )(
   (( segid "    " and resid 22   and name H   ))
 )
      3.500     1.500     1.500 peak   882 weight  0.10000E+01 volume  0.16700E+00 ppm1      0.831 ppm2      9.516
 ASSI (
   (( segid "    " and resid 75   and name HG23))
  OR 
   (( segid "    " and resid 75   and name HG22))
  OR 
   (( segid "    " and resid 75   and name HG21))
 )(
   (( segid "    " and resid 76   and name H   ))
 )
      2.600     0.800     0.800 peak   884 weight  0.10000E+01 volume  0.92100E+00 ppm1      0.783 ppm2      9.200
 ASSI (
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 75   and name HG23))
  OR 
   (( segid "    " and resid 75   and name HG22))
  OR 
   (( segid "    " and resid 75   and name HG21))
  OR 
   (( segid "    " and resid 18   and name HG23))
  OR 
   (( segid "    " and resid 18   and name HG22))
  OR 
   (( segid "    " and resid 18   and name HG13))
  OR 
   (( segid "    " and resid 18   and name HG12))
  OR 
   (( segid "    " and resid 18   and name HG11))
 )(
   (( segid "    " and resid 84   and name H   ))
  OR 
   (( segid "    " and resid 81   and name H   ))
  OR 
   (( segid "    " and resid 57   and name H   ))
 )
      3.400     1.400     1.400 peak   885 weight  0.10000E+01 volume  0.21300E+00 ppm1      0.785 ppm2      9.001
 ASSI (
   (( segid "    " and resid 75   and name HG23))
  OR 
   (( segid "    " and resid 75   and name HG22))
  OR 
   (( segid "    " and resid 75   and name HG21))
  OR 
   (( segid "    " and resid 18   and name HG23))
  OR 
   (( segid "    " and resid 18   and name HG22))
  OR 
   (( segid "    " and resid 18   and name HG21))
  OR 
   (( segid "    " and resid 18   and name HG11))
 )(
   (( segid "    " and resid 75   and name H   ))
  OR 
   (( segid "    " and resid 17   and name H   ))
 )
      3.100     1.200     1.200 peak   886 weight  0.10000E+01 volume  0.38100E+00 ppm1      0.784 ppm2      8.852
 ASSI (
   (( segid "    " and resid 78   and name HG13))
  OR 
   (( segid "    " and resid 78   and name HG12))
  OR 
   (( segid "    " and resid 78   and name HG11))
  OR 
   (( segid "    " and resid 75   and name HG23))
  OR 
   (( segid "    " and resid 75   and name HG22))
  OR 
   (( segid "    " and resid 75   and name HG21))
 )(
   (( segid "    " and resid 56   and name HA  ))
  OR 
   (( segid "    " and resid 23   and name HA  ))
 )
      3.700     1.700     1.700 peak   888 weight  0.10000E+01 volume  0.17400E+00 ppm1      0.784 ppm2      5.327
 ASSI (
   (( segid "    " and resid 75   and name HG23))
  OR 
   (( segid "    " and resid 75   and name HG22))
  OR 
   (( segid "    " and resid 75   and name HG21))
  OR 
   (( segid "    " and resid 18   and name HG23))
  OR 
   (( segid "    " and resid 18   and name HG22))
  OR 
   (( segid "    " and resid 18   and name HG21))
  OR 
   (( segid "    " and resid 18   and name HG13))
  OR 
   (( segid "    " and resid 18   and name HG11))
 )(
   (( segid "    " and resid 25   and name HA  ))
  OR 
   (( segid "    " and resid 17   and name HA  ))
 )
      3.600     1.600     1.600 peak   889 weight  0.10000E+01 volume  0.20200E+00 ppm1      0.783 ppm2      5.548
 ASSI (
   (( segid "    " and resid 75   and name HG23))
  OR 
   (( segid "    " and resid 75   and name HG22))
  OR 
   (( segid "    " and resid 75   and name HG21))
  OR 
   (( segid "    " and resid 18   and name HG13))
  OR 
   (( segid "    " and resid 18   and name HG12))
  OR 
   (( segid "    " and resid 18   and name HG11))
 )(
   (( segid "    " and resid 75   and name HA  ))
  OR 
   (( segid "    " and resid 19   and name HA3 ))
 )
      2.800     1.000     1.000 peak   890 weight  0.10000E+01 volume  0.10520E+01 ppm1      0.782 ppm2      4.292
 ASSI (
   (( segid "    " and resid 75   and name HG23))
  OR 
   (( segid "    " and resid 75   and name HG22))
  OR 
   (( segid "    " and resid 75   and name HG21))
 )(
   (( segid "    " and resid 57   and name HE3 ))
  OR 
   (( segid "    " and resid 57   and name HE2 ))
 )
      3.600     1.600     1.600 peak   891 weight  0.10000E+01 volume  0.14100E+00 ppm1      0.789 ppm2      2.870
 ASSI (
   (( segid "    " and resid 75   and name HG23))
  OR 
   (( segid "    " and resid 75   and name HG22))
  OR 
   (( segid "    " and resid 75   and name HG21))
 )(
   (( segid "    " and resid 23   and name HG3 ))
 )
      2.700     0.900     0.900 peak   892 weight  0.10000E+01 volume  0.83300E+00 ppm1      0.781 ppm2      2.057
 ASSI (
   (( segid "    " and resid 75   and name HG23))
  OR 
   (( segid "    " and resid 75   and name HG22))
  OR 
   (( segid "    " and resid 75   and name HG21))
 )(
   (( segid "    " and resid 75   and name HB  ))
 )
      2.200     0.600     0.600 peak   893 weight  0.10000E+01 volume  0.26290E+01 ppm1      0.782 ppm2      1.866
 ASSI (
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 75   and name HG23))
  OR 
   (( segid "    " and resid 75   and name HG22))
  OR 
   (( segid "    " and resid 75   and name HG21))
  OR 
   (( segid "    " and resid 18   and name HG13))
  OR 
   (( segid "    " and resid 18   and name HG12))
  OR 
   (( segid "    " and resid 18   and name HG11))
 )(
   (( segid "    " and resid 83   and name HG2 ))
  OR 
   (( segid "    " and resid 83   and name HB3 ))
  OR 
   (( segid "    " and resid 81   and name HB2 ))
  OR 
   (( segid "    " and resid 80   and name HG2 ))
  OR 
   (( segid "    " and resid 77   and name HB2 ))
  OR 
   (( segid "    " and resid 76   and name HB  ))
  OR 
   (( segid "    " and resid 23   and name HB3 ))
 )
      2.600     0.800     0.800 peak   894 weight  0.10000E+01 volume  0.11260E+01 ppm1      0.782 ppm2      1.744
 ASSI (
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 75   and name HG23))
  OR 
   (( segid "    " and resid 75   and name HG22))
  OR 
   (( segid "    " and resid 75   and name HG21))
  OR 
   (( segid "    " and resid 18   and name HG23))
  OR 
   (( segid "    " and resid 18   and name HG22))
  OR 
   (( segid "    " and resid 18   and name HG21))
  OR 
   (( segid "    " and resid 18   and name HG13))
  OR 
   (( segid "    " and resid 18   and name HG12))
  OR 
   (( segid "    " and resid 18   and name HG11))
 )(
   (( segid "    " and resid 113  and name HB3 ))
  OR 
   (( segid "    " and resid 83   and name HG3 ))
  OR 
   (( segid "    " and resid 82   and name HB3 ))
  OR 
   (( segid "    " and resid 79   and name HB3 ))
  OR 
   (( segid "    " and resid 77   and name HG  ))
  OR 
   (( segid "    " and resid 52   and name HG  ))
 )
      2.500     0.800     0.800 peak   895 weight  0.10000E+01 volume  0.12560E+01 ppm1      0.784 ppm2      1.512
 ASSI (
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 78   and name HG23))
  OR 
   (( segid "    " and resid 78   and name HG22))
  OR 
   (( segid "    " and resid 78   and name HG21))
  OR 
   (( segid "    " and resid 78   and name HG13))
  OR 
   (( segid "    " and resid 78   and name HG12))
  OR 
   (( segid "    " and resid 78   and name HG11))
  OR 
   (( segid "    " and resid 18   and name HG22))
 )(
   (( segid "    " and resid 113  and name HG2 ))
  OR 
   (( segid "    " and resid 108  and name HG  ))
  OR 
   (( segid "    " and resid 108  and name HB3 ))
  OR 
   (( segid "    " and resid 20   and name HD2 ))
 )
      3.300     1.400     1.400 peak   896 weight  0.10000E+01 volume  0.23300E+00 ppm1      0.786 ppm2      1.294
 ASSI (
   (( segid "    " and resid 75   and name HG23))
  OR 
   (( segid "    " and resid 75   and name HG22))
  OR 
   (( segid "    " and resid 75   and name HG21))
 )(
   (( segid "    " and resid 75   and name HG13))
  OR 
   (( segid "    " and resid 75   and name HG12))
  OR 
   (( segid "    " and resid 75   and name HG11))
 )
      2.200     0.600     0.600 peak   897 weight  0.10000E+01 volume  0.49370E+01 ppm1      0.782 ppm2      0.557
 ASSI (
   (( segid "    " and resid 90   and name HD23))
  OR 
   (( segid "    " and resid 90   and name HD22))
  OR 
   (( segid "    " and resid 90   and name HD21))
  OR 
   (( segid "    " and resid 52   and name HD23))
  OR 
   (( segid "    " and resid 52   and name HD22))
  OR 
   (( segid "    " and resid 52   and name HD21))
  OR 
   (( segid "    " and resid 52   and name HD13))
  OR 
   (( segid "    " and resid 52   and name HD12))
  OR 
   (( segid "    " and resid 52   and name HD11))
 )(
   (( segid "    " and resid 51   and name HG23))
  OR 
   (( segid "    " and resid 51   and name HG22))
  OR 
   (( segid "    " and resid 51   and name HG21))
  OR 
   (( segid "    " and resid 24   and name HG23))
  OR 
   (( segid "    " and resid 24   and name HG22))
  OR 
   (( segid "    " and resid 24   and name HG21))
 )
      3.300     1.400     1.400 peak   898 weight  0.10000E+01 volume  0.50300E+00 ppm1      0.674 ppm2      0.299
 ASSI (
   (( segid "    " and resid 52   and name HD23))
  OR 
   (( segid "    " and resid 52   and name HD22))
  OR 
   (( segid "    " and resid 52   and name HD21))
  OR 
   (( segid "    " and resid 52   and name HD13))
  OR 
   (( segid "    " and resid 52   and name HD12))
  OR 
   (( segid "    " and resid 52   and name HD11))
 )(
   (( segid "    " and resid 54   and name HG13))
  OR 
   (( segid "    " and resid 54   and name HG12))
  OR 
   (( segid "    " and resid 54   and name HG11))
  OR 
   (( segid "    " and resid 24   and name HD13))
  OR 
   (( segid "    " and resid 24   and name HD12))
  OR 
   (( segid "    " and resid 24   and name HD11))
 )
      3.000     1.100     1.100 peak   899 weight  0.10000E+01 volume  0.82000E+00 ppm1      0.669 ppm2      0.512
 ASSI (
   (( segid "    " and resid 52   and name HD23))
  OR 
   (( segid "    " and resid 52   and name HD22))
  OR 
   (( segid "    " and resid 52   and name HD21))
  OR 
   (( segid "    " and resid 52   and name HD13))
  OR 
   (( segid "    " and resid 52   and name HD12))
  OR 
   (( segid "    " and resid 52   and name HD11))
 )(
   (( segid "    " and resid 78   and name HG23))
  OR 
   (( segid "    " and resid 78   and name HG22))
  OR 
   (( segid "    " and resid 78   and name HG21))
 )
      2.300     0.700     0.700 peak   900 weight  0.10000E+01 volume  0.43500E+01 ppm1      0.671 ppm2      0.813
 ASSI (
   (( segid "    " and resid 52   and name HD23))
  OR 
   (( segid "    " and resid 52   and name HD22))
  OR 
   (( segid "    " and resid 52   and name HD21))
  OR 
   (( segid "    " and resid 52   and name HD13))
  OR 
   (( segid "    " and resid 52   and name HD12))
  OR 
   (( segid "    " and resid 52   and name HD11))
 )(
   (( segid "    " and resid 88   and name HB3 ))
  OR 
   (( segid "    " and resid 79   and name HG3 ))
  OR 
   (( segid "    " and resid 79   and name HG2 ))
 )
      2.500     0.800     0.800 peak   901 weight  0.10000E+01 volume  0.11540E+01 ppm1      0.672 ppm2      0.991
 ASSI (
   (( segid "    " and resid 52   and name HD23))
  OR 
   (( segid "    " and resid 52   and name HD22))
  OR 
   (( segid "    " and resid 52   and name HD21))
  OR 
   (( segid "    " and resid 52   and name HD13))
  OR 
   (( segid "    " and resid 52   and name HD12))
  OR 
   (( segid "    " and resid 52   and name HD11))
 )(
   (( segid "    " and resid 88   and name HB2 ))
  OR 
   (( segid "    " and resid 80   and name HB2 ))
 )
      2.900     1.100     1.100 peak   902 weight  0.10000E+01 volume  0.49500E+00 ppm1      0.673 ppm2      1.986
 ASSI (
   (( segid "    " and resid 52   and name HD23))
  OR 
   (( segid "    " and resid 52   and name HD22))
  OR 
   (( segid "    " and resid 52   and name HD21))
  OR 
   (( segid "    " and resid 52   and name HD13))
  OR 
   (( segid "    " and resid 52   and name HD12))
  OR 
   (( segid "    " and resid 52   and name HD11))
 )(
   (( segid "    " and resid 108  and name HB2 ))
  OR 
   (( segid "    " and resid 80   and name HG2 ))
  OR 
   (( segid "    " and resid 78   and name HB  ))
  OR 
   (( segid "    " and resid 51   and name HB  ))
 )
      3.100     1.200     1.200 peak   903 weight  0.10000E+01 volume  0.34200E+00 ppm1      0.673 ppm2      1.799
 ASSI (
   (( segid "    " and resid 52   and name HD23))
  OR 
   (( segid "    " and resid 52   and name HD22))
  OR 
   (( segid "    " and resid 52   and name HD21))
  OR 
   (( segid "    " and resid 52   and name HD13))
  OR 
   (( segid "    " and resid 52   and name HD12))
  OR 
   (( segid "    " and resid 52   and name HD11))
 )(
   (( segid "    " and resid 52   and name HG  ))
 )
      2.400     0.700     0.700 peak   905 weight  0.10000E+01 volume  0.18110E+01 ppm1      0.672 ppm2      1.484
 ASSI (
   (( segid "    " and resid 90   and name HD23))
  OR 
   (( segid "    " and resid 90   and name HD22))
  OR 
   (( segid "    " and resid 90   and name HD21))
  OR 
   (( segid "    " and resid 52   and name HD23))
  OR 
   (( segid "    " and resid 52   and name HD22))
  OR 
   (( segid "    " and resid 52   and name HD21))
  OR 
   (( segid "    " and resid 52   and name HD13))
  OR 
   (( segid "    " and resid 52   and name HD12))
  OR 
   (( segid "    " and resid 52   and name HD11))
 )(
   (( segid "    " and resid 108  and name HG  ))
 )
      3.200     1.300     1.300 peak   906 weight  0.10000E+01 volume  0.31100E+00 ppm1      0.666 ppm2      1.307
 ASSI (
   (( segid "    " and resid 90   and name HD22))
  OR 
   (( segid "    " and resid 90   and name HD21))
  OR 
   (( segid "    " and resid 52   and name HD23))
  OR 
   (( segid "    " and resid 52   and name HD22))
  OR 
   (( segid "    " and resid 52   and name HD21))
  OR 
   (( segid "    " and resid 52   and name HD13))
  OR 
   (( segid "    " and resid 52   and name HD12))
  OR 
   (( segid "    " and resid 52   and name HD11))
 )(
   (( segid "    " and resid 106  and name HB3 ))
  OR 
   (( segid "    " and resid 86   and name HB2 ))
 )
      3.300     1.400     1.400 peak   907 weight  0.10000E+01 volume  0.22100E+00 ppm1      0.673 ppm2      2.517
 ASSI (
   (( segid "    " and resid 52   and name HD23))
  OR 
   (( segid "    " and resid 52   and name HD22))
  OR 
   (( segid "    " and resid 52   and name HD21))
  OR 
   (( segid "    " and resid 52   and name HD13))
  OR 
   (( segid "    " and resid 52   and name HD12))
  OR 
   (( segid "    " and resid 52   and name HD11))
 )(
   (( segid "    " and resid 88   and name HA  ))
  OR 
   (( segid "    " and resid 80   and name HD2 ))
 )
      3.200     1.300     1.300 peak   909 weight  0.10000E+01 volume  0.38100E+00 ppm1      0.674 ppm2      4.433
 ASSI (
   (( segid "    " and resid 90   and name HD23))
  OR 
   (( segid "    " and resid 90   and name HD22))
  OR 
   (( segid "    " and resid 90   and name HD21))
  OR 
   (( segid "    " and resid 52   and name HD23))
  OR 
   (( segid "    " and resid 52   and name HD22))
  OR 
   (( segid "    " and resid 52   and name HD21))
 )(
   (( segid "    " and resid 106  and name HD2 ))
  OR 
   (( segid "    " and resid 106  and name HD1 ))
  OR 
   (( segid "    " and resid 48   and name H   ))
  OR 
   (( segid "    " and resid 36   and name HH2 ))
 )
      3.400     1.400     1.400 peak   911 weight  0.10000E+01 volume  0.33200E+00 ppm1      0.673 ppm2      6.737
 ASSI (
   (( segid "    " and resid 52   and name HD23))
  OR 
   (( segid "    " and resid 52   and name HD22))
  OR 
   (( segid "    " and resid 52   and name HD21))
  OR 
   (( segid "    " and resid 52   and name HD13))
  OR 
   (( segid "    " and resid 52   and name HD12))
  OR 
   (( segid "    " and resid 52   and name HD11))
 )(
   (( segid "    " and resid 88   and name H   ))
  OR 
   (( segid "    " and resid 87   and name H   ))
 )
      3.300     1.400     1.400 peak   912 weight  0.10000E+01 volume  0.22900E+00 ppm1      0.670 ppm2      9.199
 ASSI (
   (( segid "    " and resid 88   and name HD23))
  OR 
   (( segid "    " and resid 88   and name HD22))
  OR 
   (( segid "    " and resid 88   and name HD21))
  OR 
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
 )(
   (( segid "    " and resid 90   and name HD13))
  OR 
   (( segid "    " and resid 90   and name HD12))
  OR 
   (( segid "    " and resid 90   and name HD11))
  OR 
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
  OR 
   (( segid "    " and resid 54   and name HG13))
  OR 
   (( segid "    " and resid 54   and name HG12))
  OR 
   (( segid "    " and resid 54   and name HG11))
 )
      2.300     0.700     0.700 peak   914 weight  0.10000E+01 volume  0.45080E+01 ppm1      0.742 ppm2      0.561
 ASSI (
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
 )(
   (( segid "    " and resid 47   and name HB2 ))
  OR 
   (( segid "    " and resid 22   and name HG23))
  OR 
   (( segid "    " and resid 22   and name HG22))
  OR 
   (( segid "    " and resid 22   and name HG21))
 )
      4.300     2.300     1.700 peak   915 weight  0.10000E+01 volume  0.80000E-01 ppm1      0.714 ppm2      1.082
 ASSI (
   (( segid "    " and resid 88   and name HD23))
  OR 
   (( segid "    " and resid 88   and name HD22))
  OR 
   (( segid "    " and resid 88   and name HD21))
  OR 
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
 )(
   (( segid "    " and resid 88   and name HG  ))
 )
      2.000     0.500     0.500 peak   917 weight  0.10000E+01 volume  0.45750E+01 ppm1      0.743 ppm2      1.347
 ASSI (
   (( segid "    " and resid 110  and name HD23))
  OR 
   (( segid "    " and resid 110  and name HD22))
  OR 
   (( segid "    " and resid 110  and name HD21))
  OR 
   (( segid "    " and resid 110  and name HD13))
  OR 
   (( segid "    " and resid 110  and name HD12))
  OR 
   (( segid "    " and resid 110  and name HD11))
 )(
   (( segid "    " and resid 110  and name HB3 ))
 )
      2.300     0.700     0.700 peak   918 weight  0.10000E+01 volume  0.19610E+01 ppm1      0.748 ppm2      1.215
 ASSI (
   (( segid "    " and resid 88   and name HD23))
  OR 
   (( segid "    " and resid 88   and name HD22))
  OR 
   (( segid "    " and resid 88   and name HD21))
  OR 
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
 )(
   (( segid "    " and resid 88   and name HB2 ))
  OR 
   (( segid "    " and resid 38   and name HG2 ))
 )
      2.400     0.700     0.700 peak   919 weight  0.10000E+01 volume  0.17670E+01 ppm1      0.743 ppm2      1.995
 ASSI (
   (( segid "    " and resid 88   and name HD23))
  OR 
   (( segid "    " and resid 88   and name HD22))
  OR 
   (( segid "    " and resid 88   and name HD21))
  OR 
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
 )(
   (( segid "    " and resid 108  and name HB2 ))
  OR 
   (( segid "    " and resid 78   and name HB  ))
 )
      2.300     0.700     0.700 peak   920 weight  0.10000E+01 volume  0.18620E+01 ppm1      0.744 ppm2      1.809
 ASSI (
   (( segid "    " and resid 110  and name HD23))
  OR 
   (( segid "    " and resid 110  and name HD22))
  OR 
   (( segid "    " and resid 110  and name HD21))
  OR 
   (( segid "    " and resid 110  and name HD13))
  OR 
   (( segid "    " and resid 110  and name HD12))
  OR 
   (( segid "    " and resid 110  and name HD11))
 )(
   (( segid "    " and resid 110  and name HB2 ))
 )
      2.400     0.700     0.700 peak   921 weight  0.10000E+01 volume  0.17830E+01 ppm1      0.749 ppm2      1.677
 ASSI (
   (( segid "    " and resid 88   and name HD23))
  OR 
   (( segid "    " and resid 88   and name HD22))
  OR 
   (( segid "    " and resid 88   and name HD21))
  OR 
   (( segid "    " and resid 88   and name HD12))
 )(
   (( segid "    " and resid 38   and name HD3 ))
 )
      3.400     1.400     1.400 peak   922 weight  0.10000E+01 volume  0.19100E+00 ppm1      0.747 ppm2      2.323
 ASSI (
   (( segid "    " and resid 110  and name HD23))
  OR 
   (( segid "    " and resid 110  and name HD22))
  OR 
   (( segid "    " and resid 110  and name HD21))
  OR 
   (( segid "    " and resid 110  and name HD13))
  OR 
   (( segid "    " and resid 110  and name HD12))
  OR 
   (( segid "    " and resid 110  and name HD11))
 )(
   (( segid "    " and resid 86   and name HB2 ))
 )
      3.300     1.400     1.400 peak   923 weight  0.10000E+01 volume  0.24700E+00 ppm1      0.748 ppm2      2.492
 ASSI (
   (( segid "    " and resid 88   and name HD23))
  OR 
   (( segid "    " and resid 88   and name HD22))
  OR 
   (( segid "    " and resid 88   and name HD21))
  OR 
   (( segid "    " and resid 88   and name HD13))
 )(
   (( segid "    " and resid 88   and name HA  ))
 )
      3.200     1.300     1.300 peak   925 weight  0.10000E+01 volume  0.43400E+00 ppm1      0.745 ppm2      4.446
 ASSI (
   (( segid "    " and resid 110  and name HD23))
  OR 
   (( segid "    " and resid 110  and name HD22))
  OR 
   (( segid "    " and resid 110  and name HD21))
  OR 
   (( segid "    " and resid 110  and name HD13))
  OR 
   (( segid "    " and resid 110  and name HD12))
  OR 
   (( segid "    " and resid 110  and name HD11))
 )(
   (( segid "    " and resid 110  and name HA  ))
 )
      3.000     1.100     1.100 peak   926 weight  0.10000E+01 volume  0.59300E+00 ppm1      0.748 ppm2      4.954
 ASSI (
   (( segid "    " and resid 110  and name HD23))
  OR 
   (( segid "    " and resid 110  and name HD22))
  OR 
   (( segid "    " and resid 110  and name HD21))
  OR 
   (( segid "    " and resid 110  and name HD13))
  OR 
   (( segid "    " and resid 110  and name HD12))
  OR 
   (( segid "    " and resid 110  and name HD11))
  OR 
   (( segid "    " and resid 88   and name HD23))
  OR 
   (( segid "    " and resid 88   and name HD22))
  OR 
   (( segid "    " and resid 88   and name HD21))
  OR 
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
 )(
   (( segid "    " and resid 109  and name HA  ))
  OR 
   (( segid "    " and resid 53   and name HA  ))
  OR 
   (( segid "    " and resid 48   and name HA  ))
  OR 
   (( segid "    " and resid 37   and name HA  ))
  OR 
   (( segid "    " and resid 20   and name HA  ))
  OR 
   (( segid "    " and resid 14   and name HA  ))
 )
      3.000     1.100     1.100 peak   928 weight  0.10000E+01 volume  0.70600E+00 ppm1      0.746 ppm2      4.574
 ASSI (
   (( segid "    " and resid 88   and name HD23))
  OR 
   (( segid "    " and resid 88   and name HD22))
  OR 
   (( segid "    " and resid 88   and name HD21))
  OR 
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
 )(
   (( segid "    " and resid 108  and name H   ))
  OR 
   (( segid "    " and resid 23   and name H   ))
 )
      3.000     1.100     1.100 peak   929 weight  0.10000E+01 volume  0.45000E+00 ppm1      0.741 ppm2      8.715
 ASSI (
   (( segid "    " and resid 110  and name HD23))
  OR 
   (( segid "    " and resid 110  and name HD22))
  OR 
   (( segid "    " and resid 110  and name HD21))
  OR 
   (( segid "    " and resid 110  and name HD13))
  OR 
   (( segid "    " and resid 110  and name HD12))
  OR 
   (( segid "    " and resid 110  and name HD11))
  OR 
   (( segid "    " and resid 88   and name HD23))
  OR 
   (( segid "    " and resid 88   and name HD22))
  OR 
   (( segid "    " and resid 88   and name HD21))
  OR 
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
 )(
   (( segid "    " and resid 90   and name H   ))
  OR 
   (( segid "    " and resid 88   and name H   ))
  OR 
   (( segid "    " and resid 87   and name H   ))
  OR 
   (( segid "    " and resid 76   and name H   ))
 )
      2.900     1.100     1.100 peak   930 weight  0.10000E+01 volume  0.49900E+00 ppm1      0.750 ppm2      9.224
 ASSI (
   (( segid "    " and resid 110  and name HD23))
  OR 
   (( segid "    " and resid 110  and name HD22))
  OR 
   (( segid "    " and resid 110  and name HD21))
  OR 
   (( segid "    " and resid 110  and name HD13))
  OR 
   (( segid "    " and resid 110  and name HD12))
  OR 
   (( segid "    " and resid 110  and name HD11))
 )(
   (( segid "    " and resid 111  and name H   ))
  OR 
   (( segid "    " and resid 110  and name H   ))
 )
      2.700     0.900     0.900 peak   931 weight  0.10000E+01 volume  0.83800E+00 ppm1      0.749 ppm2      9.101
 ASSI (
   (( segid "    " and resid 108  and name HD13))
  OR 
   (( segid "    " and resid 108  and name HD12))
  OR 
   (( segid "    " and resid 108  and name HD11))
 )(
   (( segid "    " and resid 24   and name HD13))
  OR 
   (( segid "    " and resid 24   and name HD12))
  OR 
   (( segid "    " and resid 24   and name HD11))
 )
      2.900     1.100     1.100 peak   932 weight  0.10000E+01 volume  0.93300E+00 ppm1      0.810 ppm2      0.509
 ASSI (
   (( segid "    " and resid 108  and name HD13))
  OR 
   (( segid "    " and resid 108  and name HD12))
  OR 
   (( segid "    " and resid 108  and name HD11))
 )(
   (( segid "    " and resid 109  and name HB2 ))
  OR 
   (( segid "    " and resid 88   and name HB2 ))
  OR 
   (( segid "    " and resid 14   and name HB  ))
 )
      3.300     1.400     1.400 peak   933 weight  0.10000E+01 volume  0.23000E+00 ppm1      0.807 ppm2      2.019
 ASSI (
   (( segid "    " and resid 108  and name HD13))
  OR 
   (( segid "    " and resid 108  and name HD12))
  OR 
   (( segid "    " and resid 108  and name HD11))
 )(
   (( segid "    " and resid 108  and name HB2 ))
  OR 
   (( segid "    " and resid 78   and name HB  ))
 )
      2.700     0.900     0.900 peak   934 weight  0.10000E+01 volume  0.89200E+00 ppm1      0.812 ppm2      1.795
 ASSI (
   (( segid "    " and resid 108  and name HD13))
  OR 
   (( segid "    " and resid 108  and name HD12))
  OR 
   (( segid "    " and resid 108  and name HD11))
 )(
   (( segid "    " and resid 108  and name HG  ))
  OR 
   (( segid "    " and resid 108  and name HB3 ))
 )
      2.300     0.700     0.700 peak   935 weight  0.10000E+01 volume  0.19170E+01 ppm1      0.810 ppm2      1.268
 ASSI (
   (( segid "    " and resid 108  and name HD13))
  OR 
   (( segid "    " and resid 108  and name HD12))
  OR 
   (( segid "    " and resid 108  and name HD11))
 )(
   (( segid "    " and resid 22   and name HG23))
  OR 
   (( segid "    " and resid 22   and name HG22))
  OR 
   (( segid "    " and resid 22   and name HG21))
 )
      2.900     1.100     1.100 peak   936 weight  0.10000E+01 volume  0.91300E+00 ppm1      0.808 ppm2      1.093
 ASSI (
   (( segid "    " and resid 108  and name HD13))
  OR 
   (( segid "    " and resid 108  and name HD12))
  OR 
   (( segid "    " and resid 108  and name HD11))
 )(
   (( segid "    " and resid 106  and name HE2 ))
  OR 
   (( segid "    " and resid 106  and name HE1 ))
 )
      4.000     2.000     2.000 peak   937 weight  0.10000E+01 volume  0.13600E+00 ppm1      0.810 ppm2      6.488
 ASSI (
   (( segid "    " and resid 108  and name HD13))
  OR 
   (( segid "    " and resid 108  and name HD12))
  OR 
   (( segid "    " and resid 108  and name HD11))
 )(
   (( segid "    " and resid 108  and name H   ))
  OR 
   (( segid "    " and resid 25   and name H   ))
  OR 
   (( segid "    " and resid 23   and name H   ))
 )
      3.500     1.500     1.500 peak   938 weight  0.10000E+01 volume  0.18300E+00 ppm1      0.812 ppm2      8.738
 ASSI (
   (( segid "    " and resid 110  and name HD23))
  OR 
   (( segid "    " and resid 110  and name HD22))
  OR 
   (( segid "    " and resid 110  and name HD21))
  OR 
   (( segid "    " and resid 110  and name HD13))
  OR 
   (( segid "    " and resid 110  and name HD12))
  OR 
   (( segid "    " and resid 110  and name HD11))
 )(
   (( segid "    " and resid 112  and name HG23))
  OR 
   (( segid "    " and resid 112  and name HG22))
  OR 
   (( segid "    " and resid 112  and name HG21))
  OR 
   (( segid "    " and resid 108  and name HD23))
  OR 
   (( segid "    " and resid 108  and name HD22))
  OR 
   (( segid "    " and resid 108  and name HD21))
  OR 
   (( segid "    " and resid 52   and name HB3 ))
  OR 
   (( segid "    " and resid 14   and name HG23))
  OR 
   (( segid "    " and resid 14   and name HG22))
  OR 
   (( segid "    " and resid 14   and name HG13))
  OR 
   (( segid "    " and resid 14   and name HG12))
  OR 
   (( segid "    " and resid 14   and name HG11))
 )
      2.300     0.700     0.700 peak   940 weight  0.10000E+01 volume  0.41810E+01 ppm1      0.739 ppm2      0.883
 ASSI (
   (( segid "    " and resid 110  and name HD23))
  OR 
   (( segid "    " and resid 110  and name HD22))
  OR 
   (( segid "    " and resid 110  and name HD21))
  OR 
   (( segid "    " and resid 110  and name HD13))
  OR 
   (( segid "    " and resid 110  and name HD12))
  OR 
   (( segid "    " and resid 110  and name HD11))
 )(
   (( segid "    " and resid 22   and name HG23))
  OR 
   (( segid "    " and resid 22   and name HG22))
  OR 
   (( segid "    " and resid 22   and name HG21))
  OR 
   (( segid "    " and resid 16   and name HG23))
  OR 
   (( segid "    " and resid 16   and name HG22))
  OR 
   (( segid "    " and resid 16   and name HG21))
 )
      2.600     0.800     0.800 peak   941 weight  0.10000E+01 volume  0.19420E+01 ppm1      0.738 ppm2      1.082
 ASSI (
   (( segid "    " and resid 110  and name HD23))
  OR 
   (( segid "    " and resid 110  and name HD22))
  OR 
   (( segid "    " and resid 110  and name HD21))
  OR 
   (( segid "    " and resid 110  and name HD13))
  OR 
   (( segid "    " and resid 110  and name HD12))
  OR 
   (( segid "    " and resid 110  and name HD11))
 )(
   (( segid "    " and resid 80   and name HB3 ))
 )
      3.100     1.200     1.200 peak   944 weight  0.10000E+01 volume  0.33100E+00 ppm1      0.740 ppm2      2.197
 ASSI (
   (( segid "    " and resid 110  and name HD23))
  OR 
   (( segid "    " and resid 110  and name HD22))
  OR 
   (( segid "    " and resid 110  and name HD21))
  OR 
   (( segid "    " and resid 110  and name HD13))
  OR 
   (( segid "    " and resid 110  and name HD12))
  OR 
   (( segid "    " and resid 110  and name HD11))
 )(
   (( segid "    " and resid 109  and name HB2 ))
  OR 
   (( segid "    " and resid 88   and name HB2 ))
  OR 
   (( segid "    " and resid 80   and name HB2 ))
  OR 
   (( segid "    " and resid 14   and name HB  ))
 )
      2.800     1.000     1.000 peak   945 weight  0.10000E+01 volume  0.68500E+00 ppm1      0.739 ppm2      2.019
 ASSI (
   (( segid "    " and resid 110  and name HD23))
  OR 
   (( segid "    " and resid 110  and name HD22))
  OR 
   (( segid "    " and resid 110  and name HD21))
  OR 
   (( segid "    " and resid 110  and name HD13))
  OR 
   (( segid "    " and resid 110  and name HD12))
  OR 
   (( segid "    " and resid 110  and name HD11))
 )(
   (( segid "    " and resid 108  and name HB2 ))
  OR 
   (( segid "    " and resid 80   and name HG2 ))
  OR 
   (( segid "    " and resid 78   and name HB  ))
 )
      2.900     1.100     1.100 peak   946 weight  0.10000E+01 volume  0.57900E+00 ppm1      0.736 ppm2      1.802
 ASSI (
   (( segid "    " and resid 110  and name HD23))
  OR 
   (( segid "    " and resid 110  and name HD22))
  OR 
   (( segid "    " and resid 110  and name HD21))
  OR 
   (( segid "    " and resid 110  and name HD13))
  OR 
   (( segid "    " and resid 110  and name HD12))
  OR 
   (( segid "    " and resid 110  and name HD11))
 )(
   (( segid "    " and resid 80   and name HD3 ))
  OR 
   (( segid "    " and resid 16   and name HB  ))
 )
      3.000     1.100     1.100 peak   948 weight  0.10000E+01 volume  0.41100E+00 ppm1      0.739 ppm2      3.876
 ASSI (
   (( segid "    " and resid 110  and name HD23))
  OR 
   (( segid "    " and resid 110  and name HD22))
  OR 
   (( segid "    " and resid 110  and name HD21))
  OR 
   (( segid "    " and resid 110  and name HD13))
  OR 
   (( segid "    " and resid 110  and name HD12))
  OR 
   (( segid "    " and resid 110  and name HD11))
  OR 
   (( segid "    " and resid 77   and name HD13))
  OR 
   (( segid "    " and resid 77   and name HD12))
  OR 
   (( segid "    " and resid 77   and name HD11))
 )(
   (( segid "    " and resid 22   and name HB  ))
 )
      3.400     1.400     1.400 peak   949 weight  0.10000E+01 volume  0.20300E+00 ppm1      0.738 ppm2      3.692
 ASSI (
   (( segid "    " and resid 110  and name HD23))
  OR 
   (( segid "    " and resid 110  and name HD22))
  OR 
   (( segid "    " and resid 110  and name HD21))
  OR 
   (( segid "    " and resid 110  and name HD13))
  OR 
   (( segid "    " and resid 110  and name HD12))
  OR 
   (( segid "    " and resid 110  and name HD11))
 )(
   (( segid "    " and resid 109  and name HA  ))
  OR 
   (( segid "    " and resid 20   and name HA  ))
  OR 
   (( segid "    " and resid 14   and name HA  ))
 )
      3.400     1.400     1.400 peak   950 weight  0.10000E+01 volume  0.32100E+00 ppm1      0.742 ppm2      4.524
 ASSI (
   (( segid "    " and resid 110  and name HD23))
  OR 
   (( segid "    " and resid 110  and name HD22))
  OR 
   (( segid "    " and resid 110  and name HD21))
  OR 
   (( segid "    " and resid 110  and name HD13))
  OR 
   (( segid "    " and resid 110  and name HD12))
  OR 
   (( segid "    " and resid 110  and name HD11))
 )(
   (( segid "    " and resid 112  and name H   ))
  OR 
   (( segid "    " and resid 86   and name H   ))
  OR 
   (( segid "    " and resid 17   and name H   ))
  OR 
   (( segid "    " and resid 14   and name H   ))
 )
      3.300     1.400     1.400 peak   953 weight  0.10000E+01 volume  0.26000E+00 ppm1      0.735 ppm2      8.796
 ASSI (
   (( segid "    " and resid 73   and name HG12))
 )(
   (( segid "    " and resid 73   and name HG23))
  OR 
   (( segid "    " and resid 73   and name HG22))
  OR 
   (( segid "    " and resid 73   and name HG21))
 )
      2.600     0.800     0.800 peak   955 weight  0.10000E+01 volume  0.94700E+00 ppm1      0.936 ppm2      0.682
 ASSI (
   (( segid "    " and resid 73   and name HG12))
  OR 
   (( segid "    " and resid 24   and name HG13))
 )(
   (( segid "    " and resid 73   and name HD13))
  OR 
   (( segid "    " and resid 73   and name HD12))
  OR 
   (( segid "    " and resid 73   and name HD11))
  OR 
   (( segid "    " and resid 24   and name HD13))
  OR 
   (( segid "    " and resid 24   and name HD12))
  OR 
   (( segid "    " and resid 24   and name HD11))
 )
      2.200     0.600     0.600 peak   956 weight  0.10000E+01 volume  0.29450E+01 ppm1      0.924 ppm2      0.516
 ASSI (
   (( segid "    " and resid 88   and name HD23))
  OR 
   (( segid "    " and resid 88   and name HD22))
  OR 
   (( segid "    " and resid 88   and name HD21))
  OR 
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
 )(
   (( segid "    " and resid 51   and name HG23))
  OR 
   (( segid "    " and resid 51   and name HG22))
  OR 
   (( segid "    " and resid 51   and name HG21))
  OR 
   (( segid "    " and resid 24   and name HG23))
  OR 
   (( segid "    " and resid 24   and name HG22))
  OR 
   (( segid "    " and resid 24   and name HG21))
 )
      3.400     1.400     1.400 peak   957 weight  0.10000E+01 volume  0.39300E+00 ppm1      0.744 ppm2      0.298
 ASSI (
   (( segid "    " and resid 24   and name HG13))
 )(
   (( segid "    " and resid 108  and name H   ))
  OR 
   (( segid "    " and resid 25   and name H   ))
  OR 
   (( segid "    " and resid 23   and name H   ))
 )
      3.300     1.400     1.400 peak   964 weight  0.10000E+01 volume  0.12100E+00 ppm1      0.924 ppm2      8.756
 ASSI (
   (( segid "    " and resid 24   and name HG12))
 )(
   (( segid "    " and resid 77   and name HB2 ))
  OR 
   (( segid "    " and resid 76   and name HB  ))
  OR 
   (( segid "    " and resid 12   and name HD3 ))
  OR 
   (( segid "    " and resid 12   and name HD2 ))
  OR 
   (( segid "    " and resid 12   and name HB3 ))
  OR 
   (( segid "    " and resid 12   and name HB2 ))
 )
      2.800     1.000     1.000 peak   968 weight  0.10000E+01 volume  0.34700E+00 ppm1      1.142 ppm2      1.717
 ASSI (
   (( segid "    " and resid 24   and name HG12))
 )(
   (( segid "    " and resid 24   and name HD13))
  OR 
   (( segid "    " and resid 24   and name HD12))
  OR 
   (( segid "    " and resid 24   and name HD11))
 )
      2.400     0.700     0.700 peak   971 weight  0.10000E+01 volume  0.15590E+01 ppm1      1.140 ppm2      0.532
 ASSI (
   (( segid "    " and resid 24   and name HG12))
 )(
   (( segid "    " and resid 24   and name HG23))
  OR 
   (( segid "    " and resid 24   and name HG22))
  OR 
   (( segid "    " and resid 24   and name HG21))
 )
      2.700     0.900     0.900 peak   972 weight  0.10000E+01 volume  0.81200E+00 ppm1      1.139 ppm2      0.321
 ASSI (
   (( segid "    " and resid 24   and name HG12))
 )(
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
  OR 
   (( segid "    " and resid 78   and name HG13))
  OR 
   (( segid "    " and resid 78   and name HG12))
  OR 
   (( segid "    " and resid 78   and name HG11))
  OR 
   (( segid "    " and resid 77   and name HD13))
  OR 
   (( segid "    " and resid 77   and name HD12))
  OR 
   (( segid "    " and resid 77   and name HD11))
  OR 
   (( segid "    " and resid 75   and name HG23))
  OR 
   (( segid "    " and resid 75   and name HG22))
  OR 
   (( segid "    " and resid 75   and name HG21))
 )
      3.100     1.200     1.200 peak   973 weight  0.10000E+01 volume  0.33000E+00 ppm1      1.141 ppm2      0.753
 ASSI (
   (( segid "    " and resid 73   and name HG13))
 )(
   (( segid "    " and resid 73   and name HG23))
  OR 
   (( segid "    " and resid 73   and name HG22))
  OR 
   (( segid "    " and resid 73   and name HG21))
 )
      2.600     0.800     0.800 peak   974 weight  0.10000E+01 volume  0.92800E+00 ppm1      1.193 ppm2      0.674
 ASSI (
   (( segid "    " and resid 73   and name HG13))
 )(
   (( segid "    " and resid 73   and name HD13))
  OR 
   (( segid "    " and resid 73   and name HD12))
  OR 
   (( segid "    " and resid 73   and name HD11))
 )
      2.300     0.700     0.700 peak   975 weight  0.10000E+01 volume  0.20030E+01 ppm1      1.194 ppm2      0.508
 ASSI (
   (( segid "    " and resid 47   and name HD23))
  OR 
   (( segid "    " and resid 47   and name HD22))
  OR 
   (( segid "    " and resid 47   and name HD21))
  OR 
   (( segid "    " and resid 47   and name HD13))
  OR 
   (( segid "    " and resid 47   and name HD12))
  OR 
   (( segid "    " and resid 47   and name HD11))
 )(
   (( segid "    " and resid 90   and name HD13))
  OR 
   (( segid "    " and resid 90   and name HD12))
  OR 
   (( segid "    " and resid 90   and name HD11))
  OR 
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
  OR 
   (( segid "    " and resid 76   and name HG13))
  OR 
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  OR 
   (( segid "    " and resid 76   and name HG11))
  OR 
   (( segid "    " and resid 54   and name HG13))
  OR 
   (( segid "    " and resid 54   and name HG12))
  OR 
   (( segid "    " and resid 54   and name HG11))
 )
      2.800     1.000     1.000 peak   980 weight  0.10000E+01 volume  0.12470E+01 ppm1      0.872 ppm2      0.544
 ASSI (
   (( segid "    " and resid 47   and name HD23))
  OR 
   (( segid "    " and resid 47   and name HD22))
  OR 
   (( segid "    " and resid 47   and name HD21))
  OR 
   (( segid "    " and resid 47   and name HD13))
  OR 
   (( segid "    " and resid 47   and name HD12))
  OR 
   (( segid "    " and resid 47   and name HD11))
 )(
   (( segid "    " and resid 47   and name HG  ))
  OR 
   (( segid "    " and resid 38   and name HB2 ))
 )
      2.300     0.700     0.700 peak   981 weight  0.10000E+01 volume  0.18780E+01 ppm1      0.875 ppm2      1.674
 ASSI (
   (( segid "    " and resid 47   and name HD23))
  OR 
   (( segid "    " and resid 47   and name HD22))
  OR 
   (( segid "    " and resid 47   and name HD21))
  OR 
   (( segid "    " and resid 47   and name HD13))
  OR 
   (( segid "    " and resid 47   and name HD12))
  OR 
   (( segid "    " and resid 47   and name HD11))
 )(
   (( segid "    " and resid 47   and name HB3 ))
 )
      2.400     0.700     0.700 peak   982 weight  0.10000E+01 volume  0.17670E+01 ppm1      0.876 ppm2      1.557
 ASSI (
   (( segid "    " and resid 47   and name HD23))
  OR 
   (( segid "    " and resid 47   and name HD22))
  OR 
   (( segid "    " and resid 47   and name HD21))
  OR 
   (( segid "    " and resid 47   and name HD13))
  OR 
   (( segid "    " and resid 47   and name HD12))
  OR 
   (( segid "    " and resid 47   and name HD11))
 )(
   (( segid "    " and resid 88   and name HG  ))
  OR 
   (( segid "    " and resid 57   and name HG3 ))
  OR 
   (( segid "    " and resid 57   and name HG2 ))
 )
      3.500     1.500     1.500 peak   983 weight  0.10000E+01 volume  0.15700E+00 ppm1      0.875 ppm2      1.377
 ASSI (
   (( segid "    " and resid 47   and name HD23))
  OR 
   (( segid "    " and resid 47   and name HD22))
  OR 
   (( segid "    " and resid 47   and name HD21))
  OR 
   (( segid "    " and resid 47   and name HD13))
  OR 
   (( segid "    " and resid 47   and name HD12))
  OR 
   (( segid "    " and resid 47   and name HD11))
 )(
   (( segid "    " and resid 38   and name HB3 ))
 )
      3.100     1.200     1.200 peak   984 weight  0.10000E+01 volume  0.32800E+00 ppm1      0.871 ppm2      1.189
 ASSI (
   (( segid "    " and resid 47   and name HD23))
  OR 
   (( segid "    " and resid 47   and name HD22))
  OR 
   (( segid "    " and resid 47   and name HD21))
  OR 
   (( segid "    " and resid 47   and name HD13))
  OR 
   (( segid "    " and resid 47   and name HD12))
  OR 
   (( segid "    " and resid 47   and name HD11))
 )(
   (( segid "    " and resid 47   and name HB2 ))
  OR 
   (( segid "    " and resid 37   and name HG23))
  OR 
   (( segid "    " and resid 37   and name HG22))
  OR 
   (( segid "    " and resid 37   and name HG21))
 )
      2.400     0.700     0.700 peak   985 weight  0.10000E+01 volume  0.17740E+01 ppm1      0.872 ppm2      1.055
 ASSI (
   (( segid "    " and resid 47   and name HD23))
  OR 
   (( segid "    " and resid 47   and name HD22))
  OR 
   (( segid "    " and resid 47   and name HD21))
  OR 
   (( segid "    " and resid 47   and name HD13))
  OR 
   (( segid "    " and resid 47   and name HD12))
  OR 
   (( segid "    " and resid 47   and name HD11))
 )(
   (( segid "    " and resid 89   and name HB2 ))
  OR 
   (( segid "    " and resid 38   and name HG2 ))
  OR 
   (( segid "    " and resid 36   and name HB3 ))
 )
      3.400     1.400     1.400 peak   986 weight  0.10000E+01 volume  0.20200E+00 ppm1      0.872 ppm2      1.973
 ASSI (
   (( segid "    " and resid 47   and name HD23))
  OR 
   (( segid "    " and resid 47   and name HD22))
  OR 
   (( segid "    " and resid 47   and name HD21))
  OR 
   (( segid "    " and resid 47   and name HD13))
  OR 
   (( segid "    " and resid 47   and name HD12))
  OR 
   (( segid "    " and resid 47   and name HD11))
 )(
   (( segid "    " and resid 48   and name HA  ))
  OR 
   (( segid "    " and resid 44   and name HA  ))
  OR 
   (( segid "    " and resid 37   and name HA  ))
 )
      3.000     1.100     1.100 peak   987 weight  0.10000E+01 volume  0.68500E+00 ppm1      0.874 ppm2      4.565
 ASSI (
   (( segid "    " and resid 47   and name HD23))
  OR 
   (( segid "    " and resid 47   and name HD22))
  OR 
   (( segid "    " and resid 47   and name HD21))
 )(
   (( segid "    " and resid 56   and name H   ))
 )
      3.000     1.100     1.100 peak   989 weight  0.10000E+01 volume  0.43100E+00 ppm1      0.874 ppm2      9.140
 ASSI (
   (( segid "    " and resid 47   and name HD23))
  OR 
   (( segid "    " and resid 47   and name HD22))
  OR 
   (( segid "    " and resid 47   and name HD21))
  OR 
   (( segid "    " and resid 47   and name HD13))
  OR 
   (( segid "    " and resid 47   and name HD12))
  OR 
   (( segid "    " and resid 47   and name HD11))
 )(
   (( segid "    " and resid 56   and name HB2 ))
  OR 
   (( segid "    " and resid 38   and name HD3 ))
 )
      2.700     0.900     0.900 peak   993 weight  0.10000E+01 volume  0.72700E+00 ppm1      0.874 ppm2      2.373
 ASSI (
   (( segid "    " and resid 77   and name HD23))
  OR 
   (( segid "    " and resid 77   and name HD22))
  OR 
   (( segid "    " and resid 77   and name HD21))
 )(
   (( segid "    " and resid 77   and name HB3 ))
 )
      2.400     0.700     0.700 peak   997 weight  0.10000E+01 volume  0.15530E+01 ppm1      0.797 ppm2      1.167
 ASSI (
   (( segid "    " and resid 77   and name HD23))
  OR 
   (( segid "    " and resid 77   and name HD22))
  OR 
   (( segid "    " and resid 77   and name HD21))
 )(
   (( segid "    " and resid 55   and name HB  ))
 )
      2.700     0.900     0.900 peak   999 weight  0.10000E+01 volume  0.72900E+00 ppm1      0.796 ppm2      1.902
 ASSI (
   (( segid "    " and resid 77   and name HD23))
  OR 
   (( segid "    " and resid 77   and name HD22))
  OR 
   (( segid "    " and resid 77   and name HD21))
 )(
   (( segid "    " and resid 77   and name HA  ))
 )
      3.600     1.600     1.600 peak  1001 weight  0.10000E+01 volume  0.23700E+00 ppm1      0.796 ppm2      5.027
 ASSI (
   (( segid "    " and resid 77   and name HD23))
  OR 
   (( segid "    " and resid 77   and name HD22))
  OR 
   (( segid "    " and resid 77   and name HD21))
 )(
   (( segid "    " and resid 77   and name H   ))
 )
      3.300     1.400     1.400 peak  1002 weight  0.10000E+01 volume  0.25300E+00 ppm1      0.799 ppm2      8.894
 ASSI (
   (( segid "    " and resid 79   and name HG3 ))
  OR 
   (( segid "    " and resid 79   and name HG2 ))
 )(
   (( segid "    " and resid 79   and name HB2 ))
 )
      2.100     0.600     0.600 peak  1003 weight  0.10000E+01 volume  0.17180E+01 ppm1      1.007 ppm2      1.609
 ASSI (
   (( segid "    " and resid 79   and name HG3 ))
  OR 
   (( segid "    " and resid 79   and name HG2 ))
 )(
   (( segid "    " and resid 79   and name HD3 ))
  OR 
   (( segid "    " and resid 79   and name HD2 ))
 )
      1.800     0.400     0.400 peak  1004 weight  0.10000E+01 volume  0.41390E+01 ppm1      1.006 ppm2      1.503
 ASSI (
   (( segid "    " and resid 79   and name HG3 ))
  OR 
   (( segid "    " and resid 79   and name HG2 ))
 )(
   (( segid "    " and resid 79   and name HE3 ))
  OR 
   (( segid "    " and resid 79   and name HE2 ))
 )
      2.500     0.800     0.800 peak  1005 weight  0.10000E+01 volume  0.64000E+00 ppm1      1.005 ppm2      2.785
 ASSI (
   (( segid "    " and resid 79   and name HG3 ))
  OR 
   (( segid "    " and resid 79   and name HG2 ))
 )(
   (( segid "    " and resid 80   and name HD2 ))
 )
      2.700     0.900     0.900 peak  1006 weight  0.10000E+01 volume  0.40500E+00 ppm1      1.004 ppm2      4.486
 ASSI (
   (( segid "    " and resid 79   and name HG3 ))
  OR 
   (( segid "    " and resid 79   and name HG2 ))
 )(
   (( segid "    " and resid 19   and name HA2 ))
 )
      2.600     0.800     0.800 peak  1007 weight  0.10000E+01 volume  0.76200E+00 ppm1      1.006 ppm2      3.592
 ASSI (
   (( segid "    " and resid 79   and name HG3 ))
  OR 
   (( segid "    " and resid 79   and name HG2 ))
 )(
   (( segid "    " and resid 79   and name H   ))
 )
      2.700     0.900     0.900 peak  1010 weight  0.10000E+01 volume  0.42700E+00 ppm1      1.005 ppm2      9.051
 ASSI (
   (( segid "    " and resid 47   and name HD13))
  OR 
   (( segid "    " and resid 47   and name HD12))
  OR 
   (( segid "    " and resid 47   and name HD11))
 )(
   (( segid "    " and resid 41   and name HB3 ))
 )
      2.500     0.800     0.800 peak  1012 weight  0.10000E+01 volume  0.11520E+01 ppm1      0.882 ppm2      3.472
 ASSI (
   (( segid "    " and resid 47   and name HD23))
  OR 
   (( segid "    " and resid 47   and name HD22))
  OR 
   (( segid "    " and resid 47   and name HD21))
  OR 
   (( segid "    " and resid 47   and name HD13))
  OR 
   (( segid "    " and resid 47   and name HD12))
  OR 
   (( segid "    " and resid 47   and name HD11))
 )(
   (( segid "    " and resid 56   and name HB3 ))
  OR 
   (( segid "    " and resid 41   and name HB2 ))
 )
      2.600     0.800     0.800 peak  1013 weight  0.10000E+01 volume  0.94800E+00 ppm1      0.884 ppm2      2.971
 ASSI (
   (( segid "    " and resid 47   and name HD23))
  OR 
   (( segid "    " and resid 47   and name HD22))
  OR 
   (( segid "    " and resid 47   and name HD21))
  OR 
   (( segid "    " and resid 47   and name HD13))
  OR 
   (( segid "    " and resid 47   and name HD12))
  OR 
   (( segid "    " and resid 47   and name HD11))
 )(
   (( segid "    " and resid 95   and name HG3 ))
  OR 
   (( segid "    " and resid 46   and name HB  ))
  OR 
   (( segid "    " and resid 44   and name HB2 ))
  OR 
   (( segid "    " and resid 35   and name HG2 ))
  OR 
   (( segid "    " and resid 35   and name HB3 ))
 )
      2.800     1.000     1.000 peak  1015 weight  0.10000E+01 volume  0.59200E+00 ppm1      0.883 ppm2      2.153
 ASSI (
   (( segid "    " and resid 47   and name HD23))
  OR 
   (( segid "    " and resid 47   and name HD22))
  OR 
   (( segid "    " and resid 47   and name HD21))
  OR 
   (( segid "    " and resid 47   and name HD13))
  OR 
   (( segid "    " and resid 47   and name HD12))
  OR 
   (( segid "    " and resid 47   and name HD11))
 )(
   (( segid "    " and resid 89   and name HB2 ))
  OR 
   (( segid "    " and resid 42   and name HB  ))
  OR 
   (( segid "    " and resid 39   and name HB  ))
  OR 
   (( segid "    " and resid 38   and name HG2 ))
 )
      3.000     1.100     1.100 peak  1016 weight  0.10000E+01 volume  0.39100E+00 ppm1      0.888 ppm2      2.021
 ASSI (
   (( segid "    " and resid 47   and name HD23))
  OR 
   (( segid "    " and resid 47   and name HD22))
  OR 
   (( segid "    " and resid 47   and name HD21))
  OR 
   (( segid "    " and resid 47   and name HD13))
  OR 
   (( segid "    " and resid 47   and name HD12))
  OR 
   (( segid "    " and resid 47   and name HD11))
 )(
   (( segid "    " and resid 47   and name HG  ))
  OR 
   (( segid "    " and resid 38   and name HB2 ))
 )
      2.200     0.600     0.600 peak  1017 weight  0.10000E+01 volume  0.26200E+01 ppm1      0.884 ppm2      1.648
 ASSI (
   (( segid "    " and resid 47   and name HD23))
  OR 
   (( segid "    " and resid 47   and name HD22))
  OR 
   (( segid "    " and resid 47   and name HD21))
  OR 
   (( segid "    " and resid 47   and name HD13))
  OR 
   (( segid "    " and resid 47   and name HD12))
  OR 
   (( segid "    " and resid 47   and name HD11))
 )(
   (( segid "    " and resid 48   and name HA  ))
  OR 
   (( segid "    " and resid 37   and name HA  ))
 )
      3.000     1.100     1.100 peak  1018 weight  0.10000E+01 volume  0.71800E+00 ppm1      0.887 ppm2      4.557
 ASSI (
   (( segid "    " and resid 47   and name HD23))
  OR 
   (( segid "    " and resid 47   and name HD22))
  OR 
   (( segid "    " and resid 47   and name HD21))
  OR 
   (( segid "    " and resid 47   and name HD13))
  OR 
   (( segid "    " and resid 47   and name HD12))
  OR 
   (( segid "    " and resid 47   and name HD11))
 )(
   (( segid "    " and resid 48   and name HB3 ))
  OR 
   (( segid "    " and resid 37   and name HB  ))
 )
      3.400     1.400     1.400 peak  1019 weight  0.10000E+01 volume  0.21500E+00 ppm1      0.880 ppm2      4.053
 ASSI (
   (( segid "    " and resid 47   and name HD23))
  OR 
   (( segid "    " and resid 47   and name HD22))
  OR 
   (( segid "    " and resid 47   and name HD21))
  OR 
   (( segid "    " and resid 47   and name HD13))
  OR 
   (( segid "    " and resid 47   and name HD12))
  OR 
   (( segid "    " and resid 47   and name HD11))
 )(
   (( segid "    " and resid 47   and name HA  ))
 )
      2.500     0.800     0.800 peak  1020 weight  0.10000E+01 volume  0.20590E+01 ppm1      0.884 ppm2      4.250
 ASSI (
   (( segid "    " and resid 47   and name HD23))
  OR 
   (( segid "    " and resid 47   and name HD22))
  OR 
   (( segid "    " and resid 47   and name HD21))
  OR 
   (( segid "    " and resid 47   and name HD13))
  OR 
   (( segid "    " and resid 47   and name HD12))
  OR 
   (( segid "    " and resid 47   and name HD11))
 )(
   (( segid "    " and resid 58   and name HD2 ))
  OR 
   (( segid "    " and resid 58   and name HD1 ))
 )
      3.300     1.400     1.400 peak  1021 weight  0.10000E+01 volume  0.47900E+00 ppm1      0.882 ppm2      6.171
 ASSI (
   (( segid "    " and resid 47   and name HD23))
  OR 
   (( segid "    " and resid 47   and name HD22))
  OR 
   (( segid "    " and resid 47   and name HD21))
  OR 
   (( segid "    " and resid 47   and name HD13))
  OR 
   (( segid "    " and resid 47   and name HD12))
  OR 
   (( segid "    " and resid 47   and name HD11))
 )(
   (( segid "    " and resid 41   and name HD2 ))
  OR 
   (( segid "    " and resid 41   and name HD1 ))
 )
      3.200     1.300     1.300 peak  1022 weight  0.10000E+01 volume  0.53400E+00 ppm1      0.884 ppm2      7.247
 ASSI (
   (( segid "    " and resid 47   and name HD23))
  OR 
   (( segid "    " and resid 47   and name HD22))
  OR 
   (( segid "    " and resid 47   and name HD21))
  OR 
   (( segid "    " and resid 47   and name HD13))
  OR 
   (( segid "    " and resid 47   and name HD12))
  OR 
   (( segid "    " and resid 47   and name HD11))
 )(
   (( segid "    " and resid 38   and name H   ))
 )
      2.600     0.800     0.800 peak  1023 weight  0.10000E+01 volume  0.10380E+01 ppm1      0.883 ppm2      8.025
 ASSI (
   (( segid "    " and resid 47   and name HD23))
  OR 
   (( segid "    " and resid 47   and name HD22))
  OR 
   (( segid "    " and resid 47   and name HD21))
  OR 
   (( segid "    " and resid 47   and name HD13))
  OR 
   (( segid "    " and resid 47   and name HD12))
  OR 
   (( segid "    " and resid 47   and name HD11))
 )(
   (( segid "    " and resid 46   and name H   ))
 )
      3.600     1.600     1.600 peak  1024 weight  0.10000E+01 volume  0.14200E+00 ppm1      0.878 ppm2      7.633
 ASSI (
   (( segid "    " and resid 47   and name HD23))
  OR 
   (( segid "    " and resid 47   and name HD22))
  OR 
   (( segid "    " and resid 47   and name HD21))
  OR 
   (( segid "    " and resid 47   and name HD13))
  OR 
   (( segid "    " and resid 47   and name HD12))
  OR 
   (( segid "    " and resid 47   and name HD11))
 )(
   (( segid "    " and resid 47   and name H   ))
  OR 
   (( segid "    " and resid 43   and name H   ))
 )
      3.000     1.100     1.100 peak  1025 weight  0.10000E+01 volume  0.42800E+00 ppm1      0.885 ppm2      8.855
 ASSI (
   (( segid "    " and resid 47   and name HD23))
  OR 
   (( segid "    " and resid 47   and name HD22))
  OR 
   (( segid "    " and resid 47   and name HD21))
  OR 
   (( segid "    " and resid 47   and name HD13))
  OR 
   (( segid "    " and resid 47   and name HD12))
  OR 
   (( segid "    " and resid 47   and name HD11))
 )(
   (( segid "    " and resid 41   and name H   ))
  OR 
   (( segid "    " and resid 39   and name H   ))
 )
      3.400     1.400     1.400 peak  1026 weight  0.10000E+01 volume  0.18900E+00 ppm1      0.882 ppm2      8.653
 ASSI (
   (( segid "    " and resid 108  and name HD23))
  OR 
   (( segid "    " and resid 108  and name HD22))
  OR 
   (( segid "    " and resid 108  and name HD21))
 )(
   (( segid "    " and resid 108  and name HA  ))
 )
      2.700     0.900     0.900 peak  1027 weight  0.10000E+01 volume  0.12090E+01 ppm1      0.868 ppm2      4.712
 ASSI (
   (( segid "    " and resid 108  and name HD23))
  OR 
   (( segid "    " and resid 108  and name HD22))
  OR 
   (( segid "    " and resid 108  and name HD21))
 )(
   (( segid "    " and resid 106  and name HE2 ))
  OR 
   (( segid "    " and resid 106  and name HE1 ))
 )
      3.300     1.400     1.400 peak  1028 weight  0.10000E+01 volume  0.42700E+00 ppm1      0.869 ppm2      6.477
 ASSI (
   (( segid "    " and resid 112  and name HG22))
  OR 
   (( segid "    " and resid 112  and name HG21))
  OR 
   (( segid "    " and resid 108  and name HD23))
  OR 
   (( segid "    " and resid 108  and name HD22))
  OR 
   (( segid "    " and resid 108  and name HD21))
 )(
   (( segid "    " and resid 109  and name H   ))
  OR 
   (( segid "    " and resid 87   and name H   ))
 )
      2.600     0.800     0.800 peak  1029 weight  0.10000E+01 volume  0.10670E+01 ppm1      0.867 ppm2      9.167
 ASSI (
   (( segid "    " and resid 108  and name HD23))
  OR 
   (( segid "    " and resid 108  and name HD22))
  OR 
   (( segid "    " and resid 108  and name HD21))
 )(
   (( segid "    " and resid 108  and name HG  ))
  OR 
   (( segid "    " and resid 108  and name HB3 ))
 )
      2.200     0.600     0.600 peak  1032 weight  0.10000E+01 volume  0.30660E+01 ppm1      0.868 ppm2      1.253
 ASSI (
   (( segid "    " and resid 52   and name HD23))
  OR 
   (( segid "    " and resid 52   and name HD22))
  OR 
   (( segid "    " and resid 52   and name HD21))
  OR 
   (( segid "    " and resid 52   and name HD13))
  OR 
   (( segid "    " and resid 52   and name HD12))
  OR 
   (( segid "    " and resid 52   and name HD11))
 )(
   (( segid "    " and resid 51   and name HG23))
  OR 
   (( segid "    " and resid 51   and name HG22))
  OR 
   (( segid "    " and resid 51   and name HG21))
 )
      2.800     1.000     1.000 peak  1033 weight  0.10000E+01 volume  0.12500E+01 ppm1      0.701 ppm2      0.298
 ASSI (
   (( segid "    " and resid 52   and name HD23))
  OR 
   (( segid "    " and resid 52   and name HD22))
  OR 
   (( segid "    " and resid 52   and name HD21))
  OR 
   (( segid "    " and resid 52   and name HD13))
  OR 
   (( segid "    " and resid 52   and name HD12))
  OR 
   (( segid "    " and resid 52   and name HD11))
 )(
   (( segid "    " and resid 90   and name HD13))
  OR 
   (( segid "    " and resid 90   and name HD12))
  OR 
   (( segid "    " and resid 90   and name HD11))
  OR 
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
  OR 
   (( segid "    " and resid 54   and name HG13))
  OR 
   (( segid "    " and resid 54   and name HG12))
  OR 
   (( segid "    " and resid 54   and name HG11))
  OR 
   (( segid "    " and resid 24   and name HD13))
  OR 
   (( segid "    " and resid 24   and name HD12))
  OR 
   (( segid "    " and resid 24   and name HD11))
 )
      3.000     1.100     1.100 peak  1034 weight  0.10000E+01 volume  0.89900E+00 ppm1      0.701 ppm2      0.531
 ASSI (
   (( segid "    " and resid 52   and name HD23))
  OR 
   (( segid "    " and resid 52   and name HD22))
  OR 
   (( segid "    " and resid 52   and name HD21))
  OR 
   (( segid "    " and resid 52   and name HD13))
  OR 
   (( segid "    " and resid 52   and name HD12))
  OR 
   (( segid "    " and resid 52   and name HD11))
 )(
   (( segid "    " and resid 112  and name HG23))
  OR 
   (( segid "    " and resid 112  and name HG22))
  OR 
   (( segid "    " and resid 112  and name HG21))
  OR 
   (( segid "    " and resid 108  and name HD13))
  OR 
   (( segid "    " and resid 108  and name HD12))
  OR 
   (( segid "    " and resid 108  and name HD11))
  OR 
   (( segid "    " and resid 52   and name HB3 ))
 )
      2.100     0.600     0.600 peak  1035 weight  0.10000E+01 volume  0.44180E+01 ppm1      0.701 ppm2      0.863
 ASSI (
   (( segid "    " and resid 52   and name HD23))
  OR 
   (( segid "    " and resid 52   and name HD21))
  OR 
   (( segid "    " and resid 52   and name HD13))
  OR 
   (( segid "    " and resid 52   and name HD12))
  OR 
   (( segid "    " and resid 52   and name HD11))
 )(
   (( segid "    " and resid 80   and name HB3 ))
 )
      2.600     0.800     0.800 peak  1036 weight  0.10000E+01 volume  0.10060E+01 ppm1      0.703 ppm2      2.178
 ASSI (
   (( segid "    " and resid 52   and name HD23))
  OR 
   (( segid "    " and resid 52   and name HD22))
  OR 
   (( segid "    " and resid 52   and name HD21))
  OR 
   (( segid "    " and resid 52   and name HD13))
  OR 
   (( segid "    " and resid 52   and name HD12))
  OR 
   (( segid "    " and resid 52   and name HD11))
 )(
   (( segid "    " and resid 108  and name HB2 ))
  OR 
   (( segid "    " and resid 80   and name HG2 ))
  OR 
   (( segid "    " and resid 51   and name HB  ))
 )
      2.800     1.000     1.000 peak  1038 weight  0.10000E+01 volume  0.71600E+00 ppm1      0.699 ppm2      1.783
 ASSI (
   (( segid "    " and resid 52   and name HD23))
  OR 
   (( segid "    " and resid 52   and name HD22))
  OR 
   (( segid "    " and resid 52   and name HD21))
  OR 
   (( segid "    " and resid 52   and name HD13))
  OR 
   (( segid "    " and resid 52   and name HD12))
  OR 
   (( segid "    " and resid 52   and name HD11))
 )(
   (( segid "    " and resid 51   and name HA  ))
 )
      3.700     1.700     1.700 peak  1041 weight  0.10000E+01 volume  0.20000E+00 ppm1      0.704 ppm2      3.828
 ASSI (
   (( segid "    " and resid 52   and name HD23))
  OR 
   (( segid "    " and resid 52   and name HD22))
  OR 
   (( segid "    " and resid 52   and name HD21))
  OR 
   (( segid "    " and resid 52   and name HD13))
  OR 
   (( segid "    " and resid 52   and name HD12))
  OR 
   (( segid "    " and resid 52   and name HD11))
 )(
   (( segid "    " and resid 86   and name HB3 ))
 )
      3.100     1.200     1.200 peak  1042 weight  0.10000E+01 volume  0.32900E+00 ppm1      0.702 ppm2      3.113
 ASSI (
   (( segid "    " and resid 52   and name HD23))
  OR 
   (( segid "    " and resid 52   and name HD22))
  OR 
   (( segid "    " and resid 52   and name HD21))
  OR 
   (( segid "    " and resid 52   and name HD13))
  OR 
   (( segid "    " and resid 52   and name HD12))
  OR 
   (( segid "    " and resid 52   and name HD11))
 )(
   (( segid "    " and resid 86   and name HB2 ))
 )
      3.000     1.100     1.100 peak  1043 weight  0.10000E+01 volume  0.45600E+00 ppm1      0.701 ppm2      2.515
 ASSI (
   (( segid "    " and resid 52   and name HD22))
  OR 
   (( segid "    " and resid 52   and name HD21))
  OR 
   (( segid "    " and resid 52   and name HD13))
  OR 
   (( segid "    " and resid 52   and name HD12))
  OR 
   (( segid "    " and resid 52   and name HD11))
 )(
   (( segid "    " and resid 52   and name HA  ))
 )
      2.600     0.800     0.800 peak  1044 weight  0.10000E+01 volume  0.14250E+01 ppm1      0.701 ppm2      4.632
 ASSI (
   (( segid "    " and resid 52   and name HD23))
  OR 
   (( segid "    " and resid 52   and name HD22))
  OR 
   (( segid "    " and resid 52   and name HD21))
  OR 
   (( segid "    " and resid 52   and name HD13))
  OR 
   (( segid "    " and resid 52   and name HD12))
  OR 
   (( segid "    " and resid 52   and name HD11))
 )(
   (( segid "    " and resid 54   and name H   ))
  OR 
   (( segid "    " and resid 53   and name H   ))
 )
      3.000     1.100     1.100 peak  1046 weight  0.10000E+01 volume  0.38800E+00 ppm1      0.704 ppm2      8.437
 ASSI (
   (( segid "    " and resid 52   and name HD23))
  OR 
   (( segid "    " and resid 52   and name HD22))
  OR 
   (( segid "    " and resid 52   and name HD21))
  OR 
   (( segid "    " and resid 52   and name HD13))
  OR 
   (( segid "    " and resid 52   and name HD12))
  OR 
   (( segid "    " and resid 52   and name HD11))
 )(
   (( segid "    " and resid 82   and name H   ))
  OR 
   (( segid "    " and resid 38   and name HE  ))
 )
      3.700     1.700     1.700 peak  1048 weight  0.10000E+01 volume  0.11500E+00 ppm1      0.703 ppm2      7.420
 ASSI (
   (( segid "    " and resid 52   and name HD23))
  OR 
   (( segid "    " and resid 52   and name HD22))
  OR 
   (( segid "    " and resid 52   and name HD21))
  OR 
   (( segid "    " and resid 52   and name HD13))
  OR 
   (( segid "    " and resid 52   and name HD12))
  OR 
   (( segid "    " and resid 52   and name HD11))
 )(
   (( segid "    " and resid 86   and name HD2 ))
 )
      3.700     1.700     1.700 peak  1049 weight  0.10000E+01 volume  0.23400E+00 ppm1      0.703 ppm2      6.580
 ASSI (
   (( segid "    " and resid 52   and name HD23))
  OR 
   (( segid "    " and resid 52   and name HD22))
  OR 
   (( segid "    " and resid 52   and name HD21))
  OR 
   (( segid "    " and resid 52   and name HD13))
  OR 
   (( segid "    " and resid 52   and name HD12))
  OR 
   (( segid "    " and resid 52   and name HD11))
 )(
   (( segid "    " and resid 81   and name H   ))
  OR 
   (( segid "    " and resid 78   and name H   ))
 )
      2.700     0.900     0.900 peak  1050 weight  0.10000E+01 volume  0.73100E+00 ppm1      0.699 ppm2      8.980
 ASSI (
   (( segid "    " and resid 77   and name HD13))
  OR 
   (( segid "    " and resid 77   and name HD12))
  OR 
   (( segid "    " and resid 77   and name HD11))
 )(
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
  OR 
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
  OR 
   (( segid "    " and resid 75   and name HG13))
  OR 
   (( segid "    " and resid 75   and name HG12))
  OR 
   (( segid "    " and resid 75   and name HG11))
  OR 
   (( segid "    " and resid 54   and name HG13))
  OR 
   (( segid "    " and resid 54   and name HG12))
  OR 
   (( segid "    " and resid 54   and name HG11))
  OR 
   (( segid "    " and resid 24   and name HD13))
  OR 
   (( segid "    " and resid 24   and name HD12))
  OR 
   (( segid "    " and resid 24   and name HD11))
 )
      3.000     1.100     1.100 peak  1051 weight  0.10000E+01 volume  0.89400E+00 ppm1      0.722 ppm2      0.550
 ASSI (
   (( segid "    " and resid 77   and name HD13))
  OR 
   (( segid "    " and resid 77   and name HD12))
  OR 
   (( segid "    " and resid 77   and name HD11))
 )(
   (( segid "    " and resid 77   and name HB3 ))
 )
      2.500     0.800     0.800 peak  1053 weight  0.10000E+01 volume  0.13740E+01 ppm1      0.722 ppm2      1.196
 ASSI (
   (( segid "    " and resid 77   and name HD13))
  OR 
   (( segid "    " and resid 77   and name HD12))
  OR 
   (( segid "    " and resid 77   and name HD11))
 )(
   (( segid "    " and resid 21   and name HG23))
  OR 
   (( segid "    " and resid 21   and name HG22))
  OR 
   (( segid "    " and resid 21   and name HG21))
 )
      2.500     0.800     0.800 peak  1054 weight  0.10000E+01 volume  0.24350E+01 ppm1      0.722 ppm2      1.042
 ASSI (
   (( segid "    " and resid 77   and name HD13))
  OR 
   (( segid "    " and resid 77   and name HD12))
  OR 
   (( segid "    " and resid 77   and name HD11))
 )(
   (( segid "    " and resid 77   and name HB2 ))
 )
      2.100     0.600     0.600 peak  1056 weight  0.10000E+01 volume  0.31580E+01 ppm1      0.722 ppm2      1.741
 ASSI (
   (( segid "    " and resid 77   and name HD13))
  OR 
   (( segid "    " and resid 77   and name HD12))
  OR 
   (( segid "    " and resid 77   and name HD11))
 )(
   (( segid "    " and resid 75   and name HA  ))
 )
      3.800     1.800     1.800 peak  1058 weight  0.10000E+01 volume  0.15600E+00 ppm1      0.728 ppm2      4.323
 ASSI (
   (( segid "    " and resid 77   and name HD13))
  OR 
   (( segid "    " and resid 77   and name HD12))
  OR 
   (( segid "    " and resid 77   and name HD11))
 )(
   (( segid "    " and resid 21   and name HB  ))
 )
      3.700     1.700     1.700 peak  1059 weight  0.10000E+01 volume  0.11600E+00 ppm1      0.721 ppm2      3.961
 ASSI (
   (( segid "    " and resid 77   and name HD13))
  OR 
   (( segid "    " and resid 77   and name HD12))
  OR 
   (( segid "    " and resid 77   and name HD11))
 )(
   (( segid "    " and resid 24   and name H   ))
 )
      3.000     1.100     1.100 peak  1062 weight  0.10000E+01 volume  0.39400E+00 ppm1      0.723 ppm2      9.281
 ASSI (
   (( segid "    " and resid 77   and name HD13))
  OR 
   (( segid "    " and resid 77   and name HD12))
  OR 
   (( segid "    " and resid 77   and name HD11))
 )(
   (( segid "    " and resid 78   and name H   ))
 )
      2.600     0.800     0.800 peak  1063 weight  0.10000E+01 volume  0.99800E+00 ppm1      0.721 ppm2      8.976
 ASSI (
   (( segid "    " and resid 78   and name HG13))
  OR 
   (( segid "    " and resid 78   and name HG12))
  OR 
   (( segid "    " and resid 78   and name HG11))
 )(
   (( segid "    " and resid 90   and name HD13))
  OR 
   (( segid "    " and resid 90   and name HD12))
  OR 
   (( segid "    " and resid 90   and name HD11))
  OR 
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
  OR 
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
  OR 
   (( segid "    " and resid 54   and name HG23))
  OR 
   (( segid "    " and resid 54   and name HG22))
  OR 
   (( segid "    " and resid 54   and name HG21))
 )
      2.400     0.700     0.700 peak  1064 weight  0.10000E+01 volume  0.34860E+01 ppm1      0.761 ppm2      0.582
 ASSI (
   (( segid "    " and resid 78   and name HG13))
  OR 
   (( segid "    " and resid 78   and name HG12))
  OR 
   (( segid "    " and resid 78   and name HG11))
 )(
   (( segid "    " and resid 22   and name HG23))
  OR 
   (( segid "    " and resid 22   and name HG22))
  OR 
   (( segid "    " and resid 22   and name HG21))
  OR 
   (( segid "    " and resid 21   and name HG23))
  OR 
   (( segid "    " and resid 21   and name HG22))
  OR 
   (( segid "    " and resid 21   and name HG21))
 )
      3.000     1.100     1.100 peak  1066 weight  0.10000E+01 volume  0.79000E+00 ppm1      0.763 ppm2      1.081
 ASSI (
   (( segid "    " and resid 91   and name HG13))
  OR 
   (( segid "    " and resid 91   and name HG12))
  OR 
   (( segid "    " and resid 91   and name HG11))
  OR 
   (( segid "    " and resid 78   and name HG13))
  OR 
   (( segid "    " and resid 78   and name HG12))
  OR 
   (( segid "    " and resid 78   and name HG11))
 )(
   (( segid "    " and resid 104  and name HB3 ))
  OR 
   (( segid "    " and resid 89   and name HG2 ))
  OR 
   (( segid "    " and resid 89   and name HB2 ))
  OR 
   (( segid "    " and resid 88   and name HB2 ))
  OR 
   (( segid "    " and resid 42   and name HB  ))
  OR 
   (( segid "    " and resid 39   and name HB  ))
  OR 
   (( segid "    " and resid 38   and name HG2 ))
 )
      3.300     1.400     1.400 peak  1067 weight  0.10000E+01 volume  0.22800E+00 ppm1      0.760 ppm2      2.008
 ASSI (
   (( segid "    " and resid 91   and name HG13))
  OR 
   (( segid "    " and resid 91   and name HG12))
  OR 
   (( segid "    " and resid 91   and name HG11))
  OR 
   (( segid "    " and resid 78   and name HG13))
  OR 
   (( segid "    " and resid 78   and name HG12))
  OR 
   (( segid "    " and resid 78   and name HG11))
 )(
   (( segid "    " and resid 91   and name HB  ))
  OR 
   (( segid "    " and resid 78   and name HB  ))
 )
      2.400     0.700     0.700 peak  1068 weight  0.10000E+01 volume  0.17070E+01 ppm1      0.761 ppm2      1.828
 ASSI (
   (( segid "    " and resid 91   and name HG13))
  OR 
   (( segid "    " and resid 91   and name HG12))
  OR 
   (( segid "    " and resid 91   and name HG11))
  OR 
   (( segid "    " and resid 78   and name HG13))
  OR 
   (( segid "    " and resid 78   and name HG12))
  OR 
   (( segid "    " and resid 78   and name HG11))
 )(
   (( segid "    " and resid 99   and name HB  ))
  OR 
   (( segid "    " and resid 90   and name HG  ))
  OR 
   (( segid "    " and resid 79   and name HB3 ))
  OR 
   (( segid "    " and resid 54   and name HB  ))
  OR 
   (( segid "    " and resid 52   and name HB2 ))
  OR 
   (( segid "    " and resid 47   and name HB3 ))
 )
      2.900     1.100     1.100 peak  1069 weight  0.10000E+01 volume  0.52400E+00 ppm1      0.762 ppm2      1.578
 ASSI (
   (( segid "    " and resid 78   and name HG13))
  OR 
   (( segid "    " and resid 78   and name HG12))
  OR 
   (( segid "    " and resid 78   and name HG11))
 )(
   (( segid "    " and resid 110  and name HG  ))
  OR 
   (( segid "    " and resid 88   and name HG  ))
  OR 
   (( segid "    " and resid 24   and name HB  ))
 )
      3.200     1.300     1.300 peak  1070 weight  0.10000E+01 volume  0.28400E+00 ppm1      0.764 ppm2      1.376
 ASSI (
   (( segid "    " and resid 91   and name HG13))
  OR 
   (( segid "    " and resid 91   and name HG12))
  OR 
   (( segid "    " and resid 91   and name HG11))
  OR 
   (( segid "    " and resid 78   and name HG13))
  OR 
   (( segid "    " and resid 78   and name HG12))
  OR 
   (( segid "    " and resid 78   and name HG11))
 )(
   (( segid "    " and resid 108  and name HG  ))
  OR 
   (( segid "    " and resid 108  and name HB3 ))
  OR 
   (( segid "    " and resid 38   and name HB3 ))
 )
      3.000     1.100     1.100 peak  1071 weight  0.10000E+01 volume  0.42300E+00 ppm1      0.762 ppm2      1.243
 ASSI (
   (( segid "    " and resid 78   and name HG13))
  OR 
   (( segid "    " and resid 78   and name HG12))
  OR 
   (( segid "    " and resid 78   and name HG11))
 )(
   (( segid "    " and resid 22   and name HB  ))
 )
      3.600     1.600     1.600 peak  1072 weight  0.10000E+01 volume  0.13500E+00 ppm1      0.760 ppm2      3.671
 ASSI (
   (( segid "    " and resid 78   and name HG13))
  OR 
   (( segid "    " and resid 78   and name HG12))
  OR 
   (( segid "    " and resid 78   and name HG11))
 )(
   (( segid "    " and resid 78   and name HA  ))
 )
      2.800     1.000     1.000 peak  1073 weight  0.10000E+01 volume  0.92100E+00 ppm1      0.761 ppm2      5.077
 ASSI (
   (( segid "    " and resid 91   and name HG13))
  OR 
   (( segid "    " and resid 91   and name HG12))
  OR 
   (( segid "    " and resid 91   and name HG11))
  OR 
   (( segid "    " and resid 78   and name HG13))
  OR 
   (( segid "    " and resid 78   and name HG12))
  OR 
   (( segid "    " and resid 78   and name HG11))
 )(
   (( segid "    " and resid 103  and name HA  ))
  OR 
   (( segid "    " and resid 54   and name HA  ))
 )
      3.100     1.200     1.200 peak  1074 weight  0.10000E+01 volume  0.50900E+00 ppm1      0.757 ppm2      4.840
 ASSI (
   (( segid "    " and resid 91   and name HG13))
  OR 
   (( segid "    " and resid 91   and name HG12))
  OR 
   (( segid "    " and resid 91   and name HG11))
  OR 
   (( segid "    " and resid 78   and name HG13))
  OR 
   (( segid "    " and resid 78   and name HG12))
  OR 
   (( segid "    " and resid 78   and name HG11))
 )(
   (( segid "    " and resid 104  and name H   ))
  OR 
   (( segid "    " and resid 88   and name H   ))
  OR 
   (( segid "    " and resid 24   and name H   ))
 )
      3.500     1.500     1.500 peak  1075 weight  0.10000E+01 volume  0.16400E+00 ppm1      0.762 ppm2      9.246
 ASSI (
   (( segid "    " and resid 78   and name HG13))
  OR 
   (( segid "    " and resid 78   and name HG12))
  OR 
   (( segid "    " and resid 78   and name HG11))
 )(
   (( segid "    " and resid 78   and name H   ))
 )
      2.500     0.800     0.800 peak  1076 weight  0.10000E+01 volume  0.11910E+01 ppm1      0.760 ppm2      9.028
 ASSI (
   (( segid "    " and resid 91   and name HG13))
  OR 
   (( segid "    " and resid 91   and name HG12))
  OR 
   (( segid "    " and resid 91   and name HG11))
  OR 
   (( segid "    " and resid 78   and name HG13))
  OR 
   (( segid "    " and resid 78   and name HG12))
  OR 
   (( segid "    " and resid 78   and name HG11))
 )(
   (( segid "    " and resid 55   and name H   ))
  OR 
   (( segid "    " and resid 41   and name H   ))
 )
      3.400     1.400     1.400 peak  1077 weight  0.10000E+01 volume  0.18600E+00 ppm1      0.765 ppm2      8.612
 ASSI (
   (( segid "    " and resid 90   and name HD23))
  OR 
   (( segid "    " and resid 90   and name HD22))
  OR 
   (( segid "    " and resid 90   and name HD21))
 )(
   (( segid "    " and resid 90   and name HB2 ))
  OR 
   (( segid "    " and resid 38   and name HG2 ))
 )
      2.500     0.800     0.800 peak  1078 weight  0.10000E+01 volume  0.11910E+01 ppm1      0.662 ppm2      1.759
 ASSI (
   (( segid "    " and resid 90   and name HD23))
  OR 
   (( segid "    " and resid 90   and name HD22))
  OR 
   (( segid "    " and resid 90   and name HD21))
 )(
   (( segid "    " and resid 88   and name HG  ))
 )
      2.600     0.800     0.800 peak  1079 weight  0.10000E+01 volume  0.93900E+00 ppm1      0.663 ppm2      1.334
 ASSI (
   (( segid "    " and resid 90   and name HD23))
  OR 
   (( segid "    " and resid 90   and name HD22))
  OR 
   (( segid "    " and resid 90   and name HD21))
  OR 
   (( segid "    " and resid 87   and name HG23))
 )(
   (( segid "    " and resid 110  and name HB3 ))
  OR 
   (( segid "    " and resid 38   and name HB3 ))
 )
      2.800     1.000     1.000 peak  1080 weight  0.10000E+01 volume  0.70300E+00 ppm1      0.667 ppm2      1.174
 ASSI (
   (( segid "    " and resid 90   and name HD23))
  OR 
   (( segid "    " and resid 90   and name HD22))
  OR 
   (( segid "    " and resid 90   and name HD21))
  OR 
   (( segid "    " and resid 87   and name HG23))
  OR 
   (( segid "    " and resid 87   and name HG22))
  OR 
   (( segid "    " and resid 87   and name HG21))
 )(
   (( segid "    " and resid 88   and name HB3 ))
  OR 
   (( segid "    " and resid 37   and name HG23))
  OR 
   (( segid "    " and resid 37   and name HG22))
  OR 
   (( segid "    " and resid 37   and name HG21))
 )
      2.600     0.800     0.800 peak  1081 weight  0.10000E+01 volume  0.10290E+01 ppm1      0.669 ppm2      0.998
 ASSI (
   (( segid "    " and resid 90   and name HD23))
  OR 
   (( segid "    " and resid 90   and name HD22))
  OR 
   (( segid "    " and resid 90   and name HD21))
  OR 
   (( segid "    " and resid 87   and name HG23))
  OR 
   (( segid "    " and resid 87   and name HG22))
 )(
   (( segid "    " and resid 109  and name HB3 ))
  OR 
   (( segid "    " and resid 90   and name HB3 ))
 )
      2.900     1.100     1.100 peak  1082 weight  0.10000E+01 volume  0.56000E+00 ppm1      0.663 ppm2      2.238
 ASSI (
   (( segid "    " and resid 90   and name HD23))
  OR 
   (( segid "    " and resid 90   and name HD22))
  OR 
   (( segid "    " and resid 90   and name HD21))
  OR 
   (( segid "    " and resid 87   and name HG23))
  OR 
   (( segid "    " and resid 87   and name HG22))
  OR 
   (( segid "    " and resid 87   and name HG21))
 )(
   (( segid "    " and resid 105  and name HB3 ))
  OR 
   (( segid "    " and resid 89   and name HG3 ))
 )
      2.700     0.900     0.900 peak  1083 weight  0.10000E+01 volume  0.87700E+00 ppm1      0.682 ppm2      2.138
 ASSI (
   (( segid "    " and resid 90   and name HD23))
  OR 
   (( segid "    " and resid 90   and name HD22))
  OR 
   (( segid "    " and resid 90   and name HD21))
  OR 
   (( segid "    " and resid 87   and name HG23))
  OR 
   (( segid "    " and resid 87   and name HG22))
  OR 
   (( segid "    " and resid 87   and name HG21))
 )(
   (( segid "    " and resid 109  and name HB2 ))
  OR 
   (( segid "    " and resid 89   and name HG2 ))
  OR 
   (( segid "    " and resid 89   and name HB2 ))
  OR 
   (( segid "    " and resid 88   and name HB2 ))
  OR 
   (( segid "    " and resid 38   and name HG2 ))
 )
      2.400     0.700     0.700 peak  1084 weight  0.10000E+01 volume  0.17220E+01 ppm1      0.676 ppm2      2.001
 ASSI (
   (( segid "    " and resid 90   and name HD22))
  OR 
   (( segid "    " and resid 87   and name HG23))
  OR 
   (( segid "    " and resid 87   and name HG22))
  OR 
   (( segid "    " and resid 87   and name HG21))
 )(
   (( segid "    " and resid 89   and name HA  ))
  OR 
   (( segid "    " and resid 87   and name HA  ))
 )
      2.700     0.900     0.900 peak  1086 weight  0.10000E+01 volume  0.11930E+01 ppm1      0.679 ppm2      4.855
 ASSI (
   (( segid "    " and resid 90   and name HD23))
  OR 
   (( segid "    " and resid 90   and name HD22))
  OR 
   (( segid "    " and resid 90   and name HD21))
  OR 
   (( segid "    " and resid 87   and name HG23))
  OR 
   (( segid "    " and resid 87   and name HG22))
  OR 
   (( segid "    " and resid 87   and name HG21))
 )(
   (( segid "    " and resid 109  and name HA  ))
  OR 
   (( segid "    " and resid 37   and name HA  ))
 )
      3.300     1.400     1.400 peak  1087 weight  0.10000E+01 volume  0.40400E+00 ppm1      0.677 ppm2      4.537
 ASSI (
   (( segid "    " and resid 90   and name HD23))
  OR 
   (( segid "    " and resid 90   and name HD22))
  OR 
   (( segid "    " and resid 90   and name HD21))
  OR 
   (( segid "    " and resid 87   and name HG23))
  OR 
   (( segid "    " and resid 87   and name HG22))
  OR 
   (( segid "    " and resid 87   and name HG21))
 )(
   (( segid "    " and resid 88   and name HA  ))
 )
      3.300     1.400     1.400 peak  1088 weight  0.10000E+01 volume  0.35600E+00 ppm1      0.668 ppm2      4.423
 ASSI (
   (( segid "    " and resid 87   and name HG23))
  OR 
   (( segid "    " and resid 87   and name HG22))
  OR 
   (( segid "    " and resid 87   and name HG21))
 )(
   (( segid "    " and resid 108  and name HA  ))
  OR 
   (( segid "    " and resid 106  and name HA  ))
 )
      3.300     1.400     1.400 peak  1089 weight  0.10000E+01 volume  0.34000E+00 ppm1      0.682 ppm2      4.715
 ASSI (
   (( segid "    " and resid 90   and name HD23))
  OR 
   (( segid "    " and resid 90   and name HD22))
  OR 
   (( segid "    " and resid 90   and name HD21))
 )(
   (( segid "    " and resid 91   and name H   ))
 )
      3.100     1.200     1.200 peak  1091 weight  0.10000E+01 volume  0.38600E+00 ppm1      0.661 ppm2      9.419
 ASSI (
   (( segid "    " and resid 90   and name HD23))
  OR 
   (( segid "    " and resid 90   and name HD22))
  OR 
   (( segid "    " and resid 90   and name HD21))
 )(
   (( segid "    " and resid 38   and name H   ))
 )
      3.700     1.700     1.700 peak  1092 weight  0.10000E+01 volume  0.12900E+00 ppm1      0.654 ppm2      8.011
 ASSI (
   (( segid "    " and resid 90   and name HD23))
  OR 
   (( segid "    " and resid 90   and name HD22))
  OR 
   (( segid "    " and resid 90   and name HD21))
  OR 
   (( segid "    " and resid 87   and name HG23))
  OR 
   (( segid "    " and resid 87   and name HG22))
  OR 
   (( segid "    " and resid 87   and name HG21))
 )(
   (( segid "    " and resid 90   and name H   ))
  OR 
   (( segid "    " and resid 88   and name H   ))
  OR 
   (( segid "    " and resid 87   and name H   ))
 )
      2.600     0.800     0.800 peak  1093 weight  0.10000E+01 volume  0.11070E+01 ppm1      0.678 ppm2      9.209
 ASSI (
   (( segid "    " and resid 90   and name HD23))
  OR 
   (( segid "    " and resid 90   and name HD22))
  OR 
   (( segid "    " and resid 90   and name HD21))
  OR 
   (( segid "    " and resid 87   and name HG23))
  OR 
   (( segid "    " and resid 87   and name HG22))
  OR 
   (( segid "    " and resid 87   and name HG21))
 )(
   (( segid "    " and resid 111  and name H   ))
  OR 
   (( segid "    " and resid 110  and name H   ))
  OR 
   (( segid "    " and resid 37   and name H   ))
 )
      3.300     1.400     1.400 peak  1094 weight  0.10000E+01 volume  0.23700E+00 ppm1      0.672 ppm2      9.079
 ASSI (
   (( segid "    " and resid 90   and name HD23))
  OR 
   (( segid "    " and resid 90   and name HD22))
  OR 
   (( segid "    " and resid 90   and name HD21))
  OR 
   (( segid "    " and resid 87   and name HG23))
  OR 
   (( segid "    " and resid 87   and name HG21))
 )(
   (( segid "    " and resid 89   and name H   ))
  OR 
   (( segid "    " and resid 39   and name H   ))
 )
      2.800     1.000     1.000 peak  1095 weight  0.10000E+01 volume  0.67000E+00 ppm1      0.669 ppm2      8.683
 ASSI (
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 88   and name HD23))
  OR 
   (( segid "    " and resid 88   and name HD22))
  OR 
   (( segid "    " and resid 88   and name HD21))
  OR 
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
  OR 
   (( segid "    " and resid 18   and name HG23))
  OR 
   (( segid "    " and resid 18   and name HG13))
  OR 
   (( segid "    " and resid 18   and name HG12))
  OR 
   (( segid "    " and resid 18   and name HG11))
 )(
   (( segid "    " and resid 88   and name HA  ))
  OR 
   (( segid "    " and resid 81   and name HA  ))
  OR 
   (( segid "    " and resid 80   and name HD2 ))
 )
      2.500     0.800     0.800 peak  1098 weight  0.10000E+01 volume  0.20390E+01 ppm1      0.787 ppm2      4.440
 ASSI (
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 77   and name HD23))
  OR 
   (( segid "    " and resid 77   and name HD22))
  OR 
   (( segid "    " and resid 77   and name HD21))
  OR 
   (( segid "    " and resid 18   and name HG23))
  OR 
   (( segid "    " and resid 18   and name HG22))
  OR 
   (( segid "    " and resid 18   and name HG21))
  OR 
   (( segid "    " and resid 18   and name HG13))
  OR 
   (( segid "    " and resid 18   and name HG12))
  OR 
   (( segid "    " and resid 18   and name HG11))
 )(
   (( segid "    " and resid 113  and name HA  ))
  OR 
   (( segid "    " and resid 75   and name HA  ))
  OR 
   (( segid "    " and resid 55   and name HA  ))
  OR 
   (( segid "    " and resid 19   and name HA3 ))
 )
      3.200     1.300     1.300 peak  1099 weight  0.10000E+01 volume  0.43700E+00 ppm1      0.802 ppm2      4.271
 ASSI (
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 77   and name HD21))
  OR 
   (( segid "    " and resid 18   and name HG23))
  OR 
   (( segid "    " and resid 18   and name HG22))
  OR 
   (( segid "    " and resid 18   and name HG21))
  OR 
   (( segid "    " and resid 18   and name HG13))
  OR 
   (( segid "    " and resid 18   and name HG12))
  OR 
   (( segid "    " and resid 18   and name HG11))
 )(
   (( segid "    " and resid 83   and name HA  ))
  OR 
   (( segid "    " and resid 21   and name HB  ))
 )
      2.500     0.800     0.800 peak  1100 weight  0.10000E+01 volume  0.18640E+01 ppm1      0.813 ppm2      3.945
 ASSI (
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 18   and name HG23))
  OR 
   (( segid "    " and resid 18   and name HG22))
  OR 
   (( segid "    " and resid 18   and name HG21))
  OR 
   (( segid "    " and resid 18   and name HG13))
  OR 
   (( segid "    " and resid 18   and name HG12))
  OR 
   (( segid "    " and resid 18   and name HG11))
 )(
   (( segid "    " and resid 83   and name HD3 ))
  OR 
   (( segid "    " and resid 83   and name HD2 ))
  OR 
   (( segid "    " and resid 18   and name HA  ))
 )
      2.400     0.700     0.700 peak  1102 weight  0.10000E+01 volume  0.25900E+01 ppm1      0.798 ppm2      3.251
 ASSI (
   (( segid "    " and resid 88   and name HD23))
  OR 
   (( segid "    " and resid 88   and name HD22))
  OR 
   (( segid "    " and resid 88   and name HD21))
  OR 
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
 )(
   (( segid "    " and resid 38   and name HD2 ))
 )
      2.500     0.800     0.800 peak  1103 weight  0.10000E+01 volume  0.11340E+01 ppm1      0.788 ppm2      2.392
 ASSI (
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 108  and name HD13))
  OR 
   (( segid "    " and resid 108  and name HD12))
  OR 
   (( segid "    " and resid 108  and name HD11))
  OR 
   (( segid "    " and resid 88   and name HD23))
  OR 
   (( segid "    " and resid 88   and name HD22))
  OR 
   (( segid "    " and resid 88   and name HD21))
  OR 
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
  OR 
   (( segid "    " and resid 18   and name HG23))
  OR 
   (( segid "    " and resid 18   and name HG22))
  OR 
   (( segid "    " and resid 18   and name HG21))
  OR 
   (( segid "    " and resid 18   and name HG13))
  OR 
   (( segid "    " and resid 18   and name HG12))
  OR 
   (( segid "    " and resid 18   and name HG11))
 )(
   (( segid "    " and resid 88   and name HB2 ))
  OR 
   (( segid "    " and resid 80   and name HB2 ))
  OR 
   (( segid "    " and resid 38   and name HG2 ))
 )
      2.200     0.600     0.600 peak  1104 weight  0.10000E+01 volume  0.25850E+01 ppm1      0.790 ppm2      1.991
 ASSI (
   (( segid "    " and resid 108  and name HD23))
  OR 
   (( segid "    " and resid 108  and name HD22))
  OR 
   (( segid "    " and resid 108  and name HD13))
  OR 
   (( segid "    " and resid 108  and name HD12))
  OR 
   (( segid "    " and resid 108  and name HD11))
  OR 
   (( segid "    " and resid 77   and name HD23))
  OR 
   (( segid "    " and resid 77   and name HD22))
  OR 
   (( segid "    " and resid 77   and name HD21))
 )(
   (( segid "    " and resid 88   and name HB3 ))
  OR 
   (( segid "    " and resid 21   and name HG23))
  OR 
   (( segid "    " and resid 21   and name HG22))
  OR 
   (( segid "    " and resid 21   and name HG21))
 )
      3.300     1.400     1.400 peak  1106 weight  0.10000E+01 volume  0.38700E+00 ppm1      0.824 ppm2      1.025
 ASSI (
   (( segid "    " and resid 108  and name HD13))
  OR 
   (( segid "    " and resid 108  and name HD12))
  OR 
   (( segid "    " and resid 108  and name HD11))
  OR 
   (( segid "    " and resid 88   and name HD23))
  OR 
   (( segid "    " and resid 88   and name HD22))
  OR 
   (( segid "    " and resid 88   and name HD21))
  OR 
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
  OR 
   (( segid "    " and resid 77   and name HD23))
  OR 
   (( segid "    " and resid 77   and name HD22))
  OR 
   (( segid "    " and resid 77   and name HD21))
 )(
   (( segid "    " and resid 88   and name HB3 ))
  OR 
   (( segid "    " and resid 55   and name HG23))
  OR 
   (( segid "    " and resid 55   and name HG22))
  OR 
   (( segid "    " and resid 55   and name HG13))
  OR 
   (( segid "    " and resid 55   and name HG12))
  OR 
   (( segid "    " and resid 55   and name HG11))
 )
      2.300     0.700     0.700 peak  1107 weight  0.10000E+01 volume  0.25120E+01 ppm1      0.788 ppm2      0.976
 ASSI (
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
 )(
   (( segid "    " and resid 112  and name HB  ))
 )
      2.400     0.700     0.700 peak  1108 weight  0.10000E+01 volume  0.17020E+01 ppm1      0.817 ppm2      2.657
 ASSI (
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 18   and name HG22))
  OR 
   (( segid "    " and resid 18   and name HG13))
  OR 
   (( segid "    " and resid 18   and name HG12))
  OR 
   (( segid "    " and resid 18   and name HG11))
 )(
   (( segid "    " and resid 80   and name HG3 ))
  OR 
   (( segid "    " and resid 80   and name HB3 ))
 )
      2.500     0.800     0.800 peak  1109 weight  0.10000E+01 volume  0.14050E+01 ppm1      0.813 ppm2      2.216
 ASSI (
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 108  and name HD13))
  OR 
   (( segid "    " and resid 108  and name HD12))
  OR 
   (( segid "    " and resid 108  and name HD11))
  OR 
   (( segid "    " and resid 77   and name HD23))
  OR 
   (( segid "    " and resid 77   and name HD22))
  OR 
   (( segid "    " and resid 77   and name HD21))
  OR 
   (( segid "    " and resid 18   and name HG23))
  OR 
   (( segid "    " and resid 18   and name HG22))
  OR 
   (( segid "    " and resid 18   and name HG21))
  OR 
   (( segid "    " and resid 18   and name HG13))
  OR 
   (( segid "    " and resid 18   and name HG12))
  OR 
   (( segid "    " and resid 18   and name HG11))
 )(
   (( segid "    " and resid 83   and name HG2 ))
  OR 
   (( segid "    " and resid 83   and name HB3 ))
  OR 
   (( segid "    " and resid 81   and name HB2 ))
  OR 
   (( segid "    " and resid 77   and name HB2 ))
  OR 
   (( segid "    " and resid 76   and name HB  ))
  OR 
   (( segid "    " and resid 12   and name HB3 ))
  OR 
   (( segid "    " and resid 12   and name HB2 ))
 )
      2.200     0.600     0.600 peak  1111 weight  0.10000E+01 volume  0.30460E+01 ppm1      0.797 ppm2      1.732
 ASSI (
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 77   and name HD23))
  OR 
   (( segid "    " and resid 77   and name HD22))
  OR 
   (( segid "    " and resid 77   and name HD21))
  OR 
   (( segid "    " and resid 18   and name HG23))
  OR 
   (( segid "    " and resid 18   and name HG22))
  OR 
   (( segid "    " and resid 18   and name HG21))
  OR 
   (( segid "    " and resid 18   and name HG13))
  OR 
   (( segid "    " and resid 18   and name HG12))
  OR 
   (( segid "    " and resid 18   and name HG11))
 )(
   (( segid "    " and resid 83   and name HG3 ))
  OR 
   (( segid "    " and resid 77   and name HG  ))
 )
      2.200     0.600     0.600 peak  1112 weight  0.10000E+01 volume  0.25680E+01 ppm1      0.798 ppm2      1.507
 ASSI (
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 108  and name HD13))
  OR 
   (( segid "    " and resid 108  and name HD12))
  OR 
   (( segid "    " and resid 108  and name HD11))
 )(
   (( segid "    " and resid 24   and name HG12))
  OR 
   (( segid "    " and resid 22   and name HG23))
  OR 
   (( segid "    " and resid 22   and name HG22))
  OR 
   (( segid "    " and resid 22   and name HG21))
  OR 
   (( segid "    " and resid 16   and name HG23))
  OR 
   (( segid "    " and resid 16   and name HG22))
  OR 
   (( segid "    " and resid 16   and name HG21))
 )
      2.800     1.000     1.000 peak  1113 weight  0.10000E+01 volume  0.12040E+01 ppm1      0.810 ppm2      1.102
 ASSI (
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 108  and name HD13))
  OR 
   (( segid "    " and resid 108  and name HD12))
  OR 
   (( segid "    " and resid 108  and name HD11))
  OR 
   (( segid "    " and resid 18   and name HG23))
  OR 
   (( segid "    " and resid 18   and name HG22))
  OR 
   (( segid "    " and resid 18   and name HG21))
  OR 
   (( segid "    " and resid 18   and name HG13))
  OR 
   (( segid "    " and resid 18   and name HG12))
  OR 
   (( segid "    " and resid 18   and name HG11))
 )(
   (( segid "    " and resid 108  and name HA  ))
  OR 
   (( segid "    " and resid 82   and name HA  ))
  OR 
   (( segid "    " and resid 16   and name HA  ))
 )
      2.900     1.100     1.100 peak  1115 weight  0.10000E+01 volume  0.76100E+00 ppm1      0.797 ppm2      4.726
 ASSI (
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 18   and name HG23))
  OR 
   (( segid "    " and resid 18   and name HG22))
  OR 
   (( segid "    " and resid 18   and name HG21))
  OR 
   (( segid "    " and resid 18   and name HG13))
  OR 
   (( segid "    " and resid 18   and name HG12))
  OR 
   (( segid "    " and resid 18   and name HG11))
 )(
   (( segid "    " and resid 79   and name HA  ))
  OR 
   (( segid "    " and resid 17   and name HA  ))
 )
      2.800     1.000     1.000 peak  1116 weight  0.10000E+01 volume  0.10550E+01 ppm1      0.808 ppm2      5.509
 ASSI (
   (( segid "    " and resid 88   and name HD23))
  OR 
   (( segid "    " and resid 88   and name HD22))
  OR 
   (( segid "    " and resid 88   and name HD21))
  OR 
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
 )(
   (( segid "    " and resid 90   and name H   ))
  OR 
   (( segid "    " and resid 88   and name H   ))
  OR 
   (( segid "    " and resid 87   and name H   ))
  OR 
   (( segid "    " and resid 76   and name H   ))
 )
      3.400     1.400     1.400 peak  1117 weight  0.10000E+01 volume  0.19400E+00 ppm1      0.788 ppm2      9.209
 ASSI (
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 88   and name HD23))
  OR 
   (( segid "    " and resid 88   and name HD22))
  OR 
   (( segid "    " and resid 88   and name HD21))
  OR 
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
  OR 
   (( segid "    " and resid 18   and name HG23))
  OR 
   (( segid "    " and resid 18   and name HG22))
  OR 
   (( segid "    " and resid 18   and name HG13))
  OR 
   (( segid "    " and resid 18   and name HG12))
  OR 
   (( segid "    " and resid 18   and name HG11))
 )(
   (( segid "    " and resid 82   and name H   ))
  OR 
   (( segid "    " and resid 38   and name HE  ))
 )
      2.700     0.900     0.900 peak  1118 weight  0.10000E+01 volume  0.84400E+00 ppm1      0.789 ppm2      7.431
 ASSI (
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 108  and name HD13))
  OR 
   (( segid "    " and resid 108  and name HD12))
  OR 
   (( segid "    " and resid 108  and name HD11))
  OR 
   (( segid "    " and resid 77   and name HD23))
  OR 
   (( segid "    " and resid 77   and name HD22))
  OR 
   (( segid "    " and resid 77   and name HD21))
  OR 
   (( segid "    " and resid 18   and name HG22))
  OR 
   (( segid "    " and resid 18   and name HG13))
  OR 
   (( segid "    " and resid 18   and name HG12))
  OR 
   (( segid "    " and resid 18   and name HG11))
 )(
   (( segid "    " and resid 84   and name H   ))
  OR 
   (( segid "    " and resid 81   and name H   ))
  OR 
   (( segid "    " and resid 78   and name H   ))
 )
      2.700     0.900     0.900 peak  1119 weight  0.10000E+01 volume  0.73100E+00 ppm1      0.813 ppm2      8.994
 ASSI (
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 108  and name HD12))
  OR 
   (( segid "    " and resid 108  and name HD11))
  OR 
   (( segid "    " and resid 18   and name HG23))
  OR 
   (( segid "    " and resid 18   and name HG22))
  OR 
   (( segid "    " and resid 18   and name HG21))
  OR 
   (( segid "    " and resid 18   and name HG13))
  OR 
   (( segid "    " and resid 18   and name HG12))
  OR 
   (( segid "    " and resid 18   and name HG11))
 )(
   (( segid "    " and resid 108  and name H   ))
  OR 
   (( segid "    " and resid 83   and name H   ))
  OR 
   (( segid "    " and resid 18   and name H   ))
 )
      2.100     0.600     0.600 peak  1120 weight  0.10000E+01 volume  0.37470E+01 ppm1      0.796 ppm2      8.697
 ASSI (
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 18   and name HG23))
  OR 
   (( segid "    " and resid 18   and name HG22))
  OR 
   (( segid "    " and resid 18   and name HG21))
  OR 
   (( segid "    " and resid 18   and name HG13))
  OR 
   (( segid "    " and resid 18   and name HG12))
  OR 
   (( segid "    " and resid 18   and name HG11))
 )(
   (( segid "    " and resid 113  and name H   ))
  OR 
   (( segid "    " and resid 19   and name H   ))
 )
      2.500     0.800     0.800 peak  1121 weight  0.10000E+01 volume  0.12890E+01 ppm1      0.808 ppm2      8.362
 ASSI (
   (( segid "    " and resid 39   and name HG23))
  OR 
   (( segid "    " and resid 39   and name HG22))
  OR 
   (( segid "    " and resid 39   and name HG21))
 )(
   (( segid "    " and resid 91   and name H   ))
 )
      3.000     1.100     1.100 peak  1122 weight  0.10000E+01 volume  0.41100E+00 ppm1      0.894 ppm2      9.419
 ASSI (
   (( segid "    " and resid 91   and name HG23))
  OR 
   (( segid "    " and resid 91   and name HG22))
  OR 
   (( segid "    " and resid 91   and name HG21))
 )(
   (( segid "    " and resid 91   and name HA  ))
 )
      2.700     0.900     0.900 peak  1123 weight  0.10000E+01 volume  0.13160E+01 ppm1      0.892 ppm2      5.191
 ASSI (
   (( segid "    " and resid 39   and name HG23))
  OR 
   (( segid "    " and resid 39   and name HG22))
  OR 
   (( segid "    " and resid 39   and name HG21))
 )(
   (( segid "    " and resid 39   and name HA  ))
 )
      2.400     0.700     0.700 peak  1124 weight  0.10000E+01 volume  0.24160E+01 ppm1      0.897 ppm2      3.464
 ASSI (
   (( segid "    " and resid 39   and name HG23))
  OR 
   (( segid "    " and resid 39   and name HG22))
  OR 
   (( segid "    " and resid 39   and name HG21))
 )(
   (( segid "    " and resid 39   and name H   ))
 )
      2.400     0.700     0.700 peak  1125 weight  0.10000E+01 volume  0.17560E+01 ppm1      0.902 ppm2      8.664
 ASSI (
   (( segid "    " and resid 39   and name HG23))
  OR 
   (( segid "    " and resid 39   and name HG22))
  OR 
   (( segid "    " and resid 39   and name HG21))
 )(
   (( segid "    " and resid 40   and name H   ))
 )
      3.000     1.100     1.100 peak  1126 weight  0.10000E+01 volume  0.38800E+00 ppm1      0.902 ppm2      8.412
 ASSI (
   (( segid "    " and resid 91   and name HG23))
  OR 
   (( segid "    " and resid 91   and name HG22))
  OR 
   (( segid "    " and resid 91   and name HG21))
 )(
   (( segid "    " and resid 92   and name H   ))
 )
      2.600     0.800     0.800 peak  1127 weight  0.10000E+01 volume  0.10580E+01 ppm1      0.894 ppm2      8.119
 ASSI (
   (( segid "    " and resid 91   and name HG23))
  OR 
   (( segid "    " and resid 91   and name HG22))
  OR 
   (( segid "    " and resid 91   and name HG21))
 )(
   (( segid "    " and resid 103  and name HD22))
  OR 
   (( segid "    " and resid 103  and name H   ))
  OR 
   (( segid "    " and resid 100  and name H   ))
 )
      3.300     1.400     1.400 peak  1128 weight  0.10000E+01 volume  0.26500E+00 ppm1      0.891 ppm2      7.770
 ASSI (
   (( segid "    " and resid 91   and name HG23))
  OR 
   (( segid "    " and resid 91   and name HG22))
  OR 
   (( segid "    " and resid 91   and name HG21))
  OR 
   (( segid "    " and resid 39   and name HG23))
  OR 
   (( segid "    " and resid 39   and name HG22))
  OR 
   (( segid "    " and resid 39   and name HG21))
 )(
   (( segid "    " and resid 105  and name HE  ))
 )
      3.200     1.300     1.300 peak  1129 weight  0.10000E+01 volume  0.28600E+00 ppm1      0.905 ppm2      7.189
 ASSI (
   (( segid "    " and resid 39   and name HG23))
  OR 
   (( segid "    " and resid 39   and name HG22))
  OR 
   (( segid "    " and resid 39   and name HG21))
 )(
   (( segid "    " and resid 90   and name HA  ))
 )
      3.600     1.600     1.600 peak  1131 weight  0.10000E+01 volume  0.20300E+00 ppm1      0.903 ppm2      5.660
 ASSI (
   (( segid "    " and resid 91   and name HG23))
  OR 
   (( segid "    " and resid 91   and name HG22))
  OR 
   (( segid "    " and resid 91   and name HG21))
 )(
   (( segid "    " and resid 105  and name HA  ))
 )
      3.400     1.400     1.400 peak  1132 weight  0.10000E+01 volume  0.31000E+00 ppm1      0.895 ppm2      5.371
 ASSI (
   (( segid "    " and resid 39   and name HG23))
  OR 
   (( segid "    " and resid 39   and name HG22))
  OR 
   (( segid "    " and resid 39   and name HG21))
 )(
   (( segid "    " and resid 91   and name HA  ))
  OR 
   (( segid "    " and resid 38   and name HA  ))
 )
      2.500     0.800     0.800 peak  1133 weight  0.10000E+01 volume  0.17750E+01 ppm1      0.898 ppm2      5.165
 ASSI (
   (( segid "    " and resid 91   and name HG23))
  OR 
   (( segid "    " and resid 91   and name HG22))
  OR 
   (( segid "    " and resid 91   and name HG21))
 )(
   (( segid "    " and resid 103  and name HA  ))
 )
      3.300     1.400     1.400 peak  1134 weight  0.10000E+01 volume  0.39400E+00 ppm1      0.891 ppm2      4.841
 ASSI (
   (( segid "    " and resid 91   and name HG23))
  OR 
   (( segid "    " and resid 91   and name HG22))
  OR 
   (( segid "    " and resid 91   and name HG21))
 )(
   (( segid "    " and resid 103  and name HB3 ))
 )
      2.300     0.700     0.700 peak  1135 weight  0.10000E+01 volume  0.21780E+01 ppm1      0.892 ppm2      3.100
 ASSI (
   (( segid "    " and resid 91   and name HG23))
  OR 
   (( segid "    " and resid 91   and name HG22))
  OR 
   (( segid "    " and resid 91   and name HG21))
 )(
   (( segid "    " and resid 103  and name HB2 ))
 )
      2.600     0.800     0.800 peak  1136 weight  0.10000E+01 volume  0.10930E+01 ppm1      0.893 ppm2      2.579
 ASSI (
   (( segid "    " and resid 39   and name HG23))
  OR 
   (( segid "    " and resid 39   and name HG22))
  OR 
   (( segid "    " and resid 39   and name HG21))
 )(
   (( segid "    " and resid 89   and name HB2 ))
  OR 
   (( segid "    " and resid 39   and name HB  ))
 )
      2.100     0.600     0.600 peak  1137 weight  0.10000E+01 volume  0.41440E+01 ppm1      0.903 ppm2      2.025
 ASSI (
   (( segid "    " and resid 91   and name HG23))
  OR 
   (( segid "    " and resid 91   and name HG22))
  OR 
   (( segid "    " and resid 91   and name HG21))
 )(
   (( segid "    " and resid 105  and name HB2 ))
  OR 
   (( segid "    " and resid 91   and name HB  ))
 )
      2.100     0.600     0.600 peak  1138 weight  0.10000E+01 volume  0.41440E+01 ppm1      0.892 ppm2      1.786
 ASSI (
   (( segid "    " and resid 39   and name HG23))
  OR 
   (( segid "    " and resid 39   and name HG22))
  OR 
   (( segid "    " and resid 39   and name HG21))
 )(
   (( segid "    " and resid 105  and name HB3 ))
  OR 
   (( segid "    " and resid 89   and name HG3 ))
 )
      2.500     0.800     0.800 peak  1139 weight  0.10000E+01 volume  0.12970E+01 ppm1      0.898 ppm2      2.132
 ASSI (
   (( segid "    " and resid 21   and name HG23))
  OR 
   (( segid "    " and resid 21   and name HG22))
  OR 
   (( segid "    " and resid 21   and name HG21))
 )(
   (( segid "    " and resid 79   and name HA  ))
 )
      4.100     2.100     1.900 peak  1140 weight  0.10000E+01 volume  0.10000E+00 ppm1      1.049 ppm2      5.497
 ASSI (
   (( segid "    " and resid 21   and name HG23))
  OR 
   (( segid "    " and resid 21   and name HG22))
  OR 
   (( segid "    " and resid 21   and name HG21))
 )(
   (( segid "    " and resid 23   and name HA  ))
 )
      3.800     1.800     1.800 peak  1141 weight  0.10000E+01 volume  0.15300E+00 ppm1      1.044 ppm2      5.289
 ASSI (
   (( segid "    " and resid 21   and name HG23))
  OR 
   (( segid "    " and resid 21   and name HG22))
  OR 
   (( segid "    " and resid 21   and name HG21))
 )(
   (( segid "    " and resid 22   and name HA  ))
 )
      3.900     1.900     1.900 peak  1142 weight  0.10000E+01 volume  0.13800E+00 ppm1      1.050 ppm2      4.364
 ASSI (
   (( segid "    " and resid 21   and name HG23))
  OR 
   (( segid "    " and resid 21   and name HG22))
  OR 
   (( segid "    " and resid 21   and name HG21))
 )(
   (( segid "    " and resid 77   and name HA  ))
 )
      3.100     1.200     1.200 peak  1143 weight  0.10000E+01 volume  0.52500E+00 ppm1      1.043 ppm2      5.029
 ASSI (
   (( segid "    " and resid 21   and name HG23))
  OR 
   (( segid "    " and resid 21   and name HG22))
  OR 
   (( segid "    " and resid 21   and name HG21))
 )(
   (( segid "    " and resid 21   and name HA  ))
 )
      2.700     0.900     0.900 peak  1144 weight  0.10000E+01 volume  0.11170E+01 ppm1      1.047 ppm2      4.797
 ASSI (
   (( segid "    " and resid 21   and name HG23))
  OR 
   (( segid "    " and resid 21   and name HG22))
  OR 
   (( segid "    " and resid 21   and name HG21))
 )(
   (( segid "    " and resid 21   and name HB  ))
 )
      2.400     0.700     0.700 peak  1145 weight  0.10000E+01 volume  0.15980E+01 ppm1      1.047 ppm2      3.977
 ASSI (
   (( segid "    " and resid 21   and name HG23))
  OR 
   (( segid "    " and resid 21   and name HG22))
  OR 
   (( segid "    " and resid 21   and name HG21))
 )(
   (( segid "    " and resid 77   and name HB2 ))
 )
      2.600     0.800     0.800 peak  1147 weight  0.10000E+01 volume  0.91200E+00 ppm1      1.047 ppm2      1.727
 ASSI (
   (( segid "    " and resid 21   and name HG23))
  OR 
   (( segid "    " and resid 21   and name HG22))
  OR 
   (( segid "    " and resid 21   and name HG21))
 )(
   (( segid "    " and resid 79   and name HD3 ))
  OR 
   (( segid "    " and resid 79   and name HD2 ))
  OR 
   (( segid "    " and resid 79   and name HB3 ))
  OR 
   (( segid "    " and resid 77   and name HG  ))
 )
      2.900     1.100     1.100 peak  1148 weight  0.10000E+01 volume  0.49400E+00 ppm1      1.046 ppm2      1.532
 ASSI (
   (( segid "    " and resid 21   and name HG23))
  OR 
   (( segid "    " and resid 21   and name HG22))
  OR 
   (( segid "    " and resid 21   and name HG21))
 )(
   (( segid "    " and resid 77   and name HB3 ))
 )
      2.600     0.800     0.800 peak  1149 weight  0.10000E+01 volume  0.10220E+01 ppm1      1.048 ppm2      1.211
 ASSI (
   (( segid "    " and resid 21   and name HG23))
  OR 
   (( segid "    " and resid 21   and name HG22))
  OR 
   (( segid "    " and resid 21   and name HG21))
 )(
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
  OR 
   (( segid "    " and resid 54   and name HG13))
  OR 
   (( segid "    " and resid 54   and name HG12))
  OR 
   (( segid "    " and resid 54   and name HG11))
  OR 
   (( segid "    " and resid 24   and name HD13))
  OR 
   (( segid "    " and resid 24   and name HD12))
  OR 
   (( segid "    " and resid 24   and name HD11))
 )
      3.600     1.600     1.600 peak  1150 weight  0.10000E+01 volume  0.26100E+00 ppm1      1.049 ppm2      0.559
 ASSI (
   (( segid "    " and resid 21   and name HG23))
  OR 
   (( segid "    " and resid 21   and name HG22))
  OR 
   (( segid "    " and resid 21   and name HG21))
 )(
   (( segid "    " and resid 78   and name H   ))
 )
      2.800     1.000     1.000 peak  1153 weight  0.10000E+01 volume  0.63000E+00 ppm1      1.046 ppm2      8.992
 ASSI (
   (( segid "    " and resid 21   and name HG23))
  OR 
   (( segid "    " and resid 21   and name HG22))
  OR 
   (( segid "    " and resid 21   and name HG21))
 )(
   (( segid "    " and resid 22   and name H   ))
 )
      2.700     0.900     0.900 peak  1154 weight  0.10000E+01 volume  0.76600E+00 ppm1      1.047 ppm2      9.519
 ASSI (
   (( segid "    " and resid 21   and name HG23))
  OR 
   (( segid "    " and resid 21   and name HG22))
  OR 
   (( segid "    " and resid 21   and name HG21))
 )(
   (( segid "    " and resid 21   and name H   ))
 )
      2.800     1.000     1.000 peak  1155 weight  0.10000E+01 volume  0.67100E+00 ppm1      1.048 ppm2      8.798
 ASSI (
   (( segid "    " and resid 42   and name HG23))
  OR 
   (( segid "    " and resid 42   and name HG22))
  OR 
   (( segid "    " and resid 42   and name HG21))
 )(
   (( segid "    " and resid 42   and name HA  ))
 )
      2.700     0.900     0.900 peak  1156 weight  0.10000E+01 volume  0.11520E+01 ppm1      1.020 ppm2      3.717
 ASSI (
   (( segid "    " and resid 42   and name HG23))
  OR 
   (( segid "    " and resid 42   and name HG22))
  OR 
   (( segid "    " and resid 42   and name HG21))
 )(
   (( segid "    " and resid 93   and name HB  ))
  OR 
   (( segid "    " and resid 39   and name HA  ))
 )
      3.000     1.100     1.100 peak  1157 weight  0.10000E+01 volume  0.61500E+00 ppm1      1.019 ppm2      3.466
 ASSI (
   (( segid "    " and resid 42   and name HG23))
  OR 
   (( segid "    " and resid 42   and name HG22))
  OR 
   (( segid "    " and resid 42   and name HG21))
 )(
   (( segid "    " and resid 42   and name HB  ))
 )
      2.300     0.700     0.700 peak  1158 weight  0.10000E+01 volume  0.19460E+01 ppm1      1.019 ppm2      2.033
 ASSI (
   (( segid "    " and resid 42   and name HG23))
  OR 
   (( segid "    " and resid 42   and name HG22))
  OR 
   (( segid "    " and resid 42   and name HG21))
 )(
   (( segid "    " and resid 99   and name HG13))
  OR 
   (( segid "    " and resid 38   and name HB2 ))
 )
      2.800     1.000     1.000 peak  1159 weight  0.10000E+01 volume  0.60400E+00 ppm1      1.018 ppm2      1.684
 ASSI (
   (( segid "    " and resid 42   and name HG23))
  OR 
   (( segid "    " and resid 42   and name HG22))
  OR 
   (( segid "    " and resid 42   and name HG21))
 )(
   (( segid "    " and resid 42   and name HG13))
  OR 
   (( segid "    " and resid 42   and name HG12))
  OR 
   (( segid "    " and resid 42   and name HG11))
 )
      2.200     0.600     0.600 peak  1160 weight  0.10000E+01 volume  0.50440E+01 ppm1      1.019 ppm2      0.860
 ASSI (
   (( segid "    " and resid 42   and name HG23))
  OR 
   (( segid "    " and resid 42   and name HG22))
  OR 
   (( segid "    " and resid 42   and name HG21))
 )(
   (( segid "    " and resid 93   and name HG23))
  OR 
   (( segid "    " and resid 93   and name HG22))
  OR 
   (( segid "    " and resid 93   and name HG21))
 )
      2.800     1.000     1.000 peak  1161 weight  0.10000E+01 volume  0.13880E+01 ppm1      1.021 ppm2      0.679
 ASSI (
   (( segid "    " and resid 42   and name HG23))
  OR 
   (( segid "    " and resid 42   and name HG22))
  OR 
   (( segid "    " and resid 42   and name HG21))
 )(
   (( segid "    " and resid 43   and name H   ))
 )
      3.300     1.400     1.400 peak  1162 weight  0.10000E+01 volume  0.22500E+00 ppm1      1.019 ppm2      8.877
 ASSI (
   (( segid "    " and resid 42   and name HG23))
  OR 
   (( segid "    " and resid 42   and name HG22))
  OR 
   (( segid "    " and resid 42   and name HG21))
 )(
   (( segid "    " and resid 42   and name H   ))
 )
      2.400     0.700     0.700 peak  1163 weight  0.10000E+01 volume  0.16010E+01 ppm1      1.018 ppm2      7.788
 ASSI (
   (( segid "    " and resid 42   and name HG23))
  OR 
   (( segid "    " and resid 42   and name HG22))
  OR 
   (( segid "    " and resid 42   and name HG21))
 )(
   (( segid "    " and resid 41   and name H   ))
  OR 
   (( segid "    " and resid 39   and name H   ))
 )
      3.100     1.200     1.200 peak  1164 weight  0.10000E+01 volume  0.37900E+00 ppm1      1.019 ppm2      8.626
 ASSI (
   (( segid "    " and resid 42   and name HG23))
  OR 
   (( segid "    " and resid 42   and name HG22))
  OR 
   (( segid "    " and resid 42   and name HG21))
 )(
   (( segid "    " and resid 40   and name H   ))
 )
      3.100     1.200     1.200 peak  1165 weight  0.10000E+01 volume  0.35200E+00 ppm1      1.020 ppm2      8.403
 ASSI (
   (( segid "    " and resid 42   and name HG23))
  OR 
   (( segid "    " and resid 42   and name HG22))
  OR 
   (( segid "    " and resid 42   and name HG21))
 )(
   (( segid "    " and resid 99   and name H   ))
  OR 
   (( segid "    " and resid 38   and name H   ))
 )
      3.400     1.400     1.400 peak  1166 weight  0.10000E+01 volume  0.20000E+00 ppm1      1.017 ppm2      7.977
 ASSI (
   (( segid "    " and resid 94   and name HB2 ))
 )(
   (( segid "    " and resid 97   and name HG3 ))
  OR 
   (( segid "    " and resid 97   and name HG2 ))
  OR 
   (( segid "    " and resid 95   and name HB3 ))
  OR 
   (( segid "    " and resid 34   and name HB2 ))
 )
      2.600     0.800     0.800 peak  1177 weight  0.10000E+01 volume  0.55400E+00 ppm1      1.192 ppm2      2.071
 ASSI (
   (( segid "    " and resid 94   and name HB3 ))
 )(
   (( segid "    " and resid 97   and name HG3 ))
  OR 
   (( segid "    " and resid 97   and name HG2 ))
  OR 
   (( segid "    " and resid 95   and name HB3 ))
  OR 
   (( segid "    " and resid 34   and name HB2 ))
 )
      2.900     1.100     1.100 peak  1179 weight  0.10000E+01 volume  0.25200E+00 ppm1      0.947 ppm2      2.062
 ASSI (
   (( segid "    " and resid 94   and name HB3 ))
 )(
   (( segid "    " and resid 97   and name HB3 ))
  OR 
   (( segid "    " and resid 97   and name HB2 ))
  OR 
   (( segid "    " and resid 95   and name HG2 ))
 )
      2.800     1.000     1.000 peak  1181 weight  0.10000E+01 volume  0.33900E+00 ppm1      0.933 ppm2      1.731
 ASSI (
   (( segid "    " and resid 94   and name HB3 ))
 )(
   (( segid "    " and resid 95   and name HD2 ))
  OR 
   (( segid "    " and resid 95   and name HA  ))
 )
      3.400     1.400     1.400 peak  1186 weight  0.10000E+01 volume  0.11300E+00 ppm1      0.929 ppm2      3.802
 ASSI (
   (( segid "    " and resid 99   and name HG13))
  OR 
   (( segid "    " and resid 44   and name HD3 ))
 )(
   (( segid "    " and resid 98   and name HA3 ))
  OR 
   (( segid "    " and resid 93   and name HB  ))
  OR 
   (( segid "    " and resid 41   and name HB3 ))
  OR 
   (( segid "    " and resid 39   and name HA  ))
 )
      2.900     1.100     1.100 peak  1196 weight  0.10000E+01 volume  0.34700E+00 ppm1      1.681 ppm2      3.500
 ASSI (
   (( segid "    " and resid 99   and name HG12))
 )(
   (( segid "    " and resid 98   and name HA3 ))
  OR 
   (( segid "    " and resid 93   and name HB  ))
 )
      3.300     1.400     1.400 peak  1197 weight  0.10000E+01 volume  0.13800E+00 ppm1      1.028 ppm2      3.473
 ASSI (
   (( segid "    " and resid 51   and name HG12))
 )(
   (( segid "    " and resid 51   and name HG23))
  OR 
   (( segid "    " and resid 51   and name HG22))
  OR 
   (( segid "    " and resid 51   and name HG21))
 )
      2.700     0.900     0.900 peak  1201 weight  0.10000E+01 volume  0.80300E+00 ppm1      1.068 ppm2      0.292
 ASSI (
   (( segid "    " and resid 51   and name HG12))
 )(
   (( segid "    " and resid 82   and name HE3 ))
  OR 
   (( segid "    " and resid 82   and name HE2 ))
 )
      3.200     1.300     1.300 peak  1204 weight  0.10000E+01 volume  0.15300E+00 ppm1      1.074 ppm2      2.949
 ASSI (
   (( segid "    " and resid 51   and name HG12))
 )(
   (( segid "    " and resid 50   and name HG3 ))
  OR 
   (( segid "    " and resid 50   and name HG2 ))
 )
      3.200     1.300     1.300 peak  1205 weight  0.10000E+01 volume  0.16400E+00 ppm1      1.065 ppm2      2.298
 ASSI (
   (( segid "    " and resid 110  and name HG  ))
  OR 
   (( segid "    " and resid 88   and name HG  ))
 )(
   (( segid "    " and resid 90   and name H   ))
  OR 
   (( segid "    " and resid 88   and name H   ))
 )
      3.000     1.100     1.100 peak  1211 weight  0.10000E+01 volume  0.22500E+00 ppm1      1.347 ppm2      9.223
 ASSI (
   (( segid "    " and resid 108  and name HG  ))
 )(
   (( segid "    " and resid 90   and name H   ))
  OR 
   (( segid "    " and resid 88   and name H   ))
 )
      3.100     1.200     1.200 peak  1212 weight  0.10000E+01 volume  0.18900E+00 ppm1      1.267 ppm2      9.223
 ASSI (
   (( segid "    " and resid 110  and name HG  ))
 )(
   (( segid "    " and resid 111  and name H   ))
  OR 
   (( segid "    " and resid 110  and name H   ))
 )
      2.800     1.000     1.000 peak  1213 weight  0.10000E+01 volume  0.37100E+00 ppm1      1.373 ppm2      9.101
 ASSI (
   (( segid "    " and resid 88   and name HG  ))
 )(
   (( segid "    " and resid 89   and name HG2 ))
  OR 
   (( segid "    " and resid 89   and name HB2 ))
  OR 
   (( segid "    " and resid 88   and name HB2 ))
  OR 
   (( segid "    " and resid 38   and name HG2 ))
 )
      2.600     0.800     0.800 peak  1216 weight  0.10000E+01 volume  0.52400E+00 ppm1      1.356 ppm2      2.021
 ASSI (
   (( segid "    " and resid 77   and name HG  ))
  OR 
   (( segid "    " and resid 30   and name HG3 ))
 )(
   (( segid "    " and resid 55   and name HB  ))
  OR 
   (( segid "    " and resid 30   and name HB2 ))
 )
      2.400     0.700     0.700 peak  1224 weight  0.10000E+01 volume  0.82300E+00 ppm1      1.500 ppm2      1.924
 ASSI (
   (( segid "    " and resid 2    and name HG13))
 )(
   (( segid "    " and resid 2    and name HD13))
  OR 
   (( segid "    " and resid 2    and name HD12))
  OR 
   (( segid "    " and resid 2    and name HD11))
 )
      3.800     1.800     1.800 peak  1226 weight  0.10000E+01 volume  0.10400E+00 ppm1      1.454 ppm2      0.832
 ASSI (
   (( segid "    " and resid 77   and name HG  ))
 )(
   (( segid "    " and resid 77   and name HD13))
  OR 
   (( segid "    " and resid 77   and name HD12))
  OR 
   (( segid "    " and resid 77   and name HD11))
 )
      2.200     0.600     0.600 peak  1227 weight  0.10000E+01 volume  0.29900E+01 ppm1      1.513 ppm2      0.754
 ASSI (
   (( segid "    " and resid 52   and name HG  ))
 )(
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 108  and name HD12))
  OR 
   (( segid "    " and resid 108  and name HD11))
  OR 
   (( segid "    " and resid 78   and name HG23))
  OR 
   (( segid "    " and resid 78   and name HG22))
  OR 
   (( segid "    " and resid 78   and name HG21))
 )
      2.800     1.000     1.000 peak  1228 weight  0.10000E+01 volume  0.64500E+00 ppm1      1.479 ppm2      0.833
 ASSI (
   (( segid "    " and resid 52   and name HG  ))
 )(
   (( segid "    " and resid 112  and name HG23))
  OR 
   (( segid "    " and resid 112  and name HG21))
  OR 
   (( segid "    " and resid 78   and name HG23))
  OR 
   (( segid "    " and resid 78   and name HG22))
  OR 
   (( segid "    " and resid 78   and name HG21))
  OR 
   (( segid "    " and resid 52   and name HB3 ))
 )
      2.900     1.100     1.100 peak  1229 weight  0.10000E+01 volume  0.32300E+00 ppm1      1.497 ppm2      0.852
 ASSI (
   (( segid "    " and resid 52   and name HG  ))
 )(
   (( segid "    " and resid 52   and name HD23))
  OR 
   (( segid "    " and resid 52   and name HD22))
  OR 
   (( segid "    " and resid 52   and name HD21))
  OR 
   (( segid "    " and resid 52   and name HD13))
  OR 
   (( segid "    " and resid 52   and name HD12))
  OR 
   (( segid "    " and resid 52   and name HD11))
 )
      2.200     0.600     0.600 peak  1230 weight  0.10000E+01 volume  0.25430E+01 ppm1      1.480 ppm2      0.687
 ASSI (
   (( segid "    " and resid 52   and name HG  ))
 )(
   (( segid "    " and resid 51   and name HG23))
  OR 
   (( segid "    " and resid 51   and name HG22))
  OR 
   (( segid "    " and resid 51   and name HG21))
 )
      2.700     0.900     0.900 peak  1231 weight  0.10000E+01 volume  0.88500E+00 ppm1      1.481 ppm2      0.294
 ASSI (
   (( segid "    " and resid 52   and name HG  ))
  OR 
   (( segid "    " and resid 30   and name HG3 ))
 )(
   (( segid "    " and resid 86   and name HA  ))
  OR 
   (( segid "    " and resid 29   and name HA  ))
 )
      3.300     1.400     1.400 peak  1233 weight  0.10000E+01 volume  0.18500E+00 ppm1      1.493 ppm2      5.265
 ASSI (
   (( segid "    " and resid 38   and name HB2 ))
 )(
   (( segid "    " and resid 41   and name H   ))
  OR 
   (( segid "    " and resid 39   and name H   ))
 )
      3.400     1.400     1.400 peak  1243 weight  0.10000E+01 volume  0.99000E-01 ppm1      1.658 ppm2      8.662
 ASSI (
   (( segid "    " and resid 38   and name HB3 ))
 )(
   (( segid "    " and resid 41   and name H   ))
  OR 
   (( segid "    " and resid 39   and name H   ))
 )
      3.100     1.200     1.200 peak  1244 weight  0.10000E+01 volume  0.17600E+00 ppm1      1.211 ppm2      8.663
 ASSI (
   (( segid "    " and resid 38   and name HB3 ))
 )(
   (( segid "    " and resid 47   and name HD23))
  OR 
   (( segid "    " and resid 47   and name HD22))
  OR 
   (( segid "    " and resid 47   and name HD21))
  OR 
   (( segid "    " and resid 47   and name HD13))
  OR 
   (( segid "    " and resid 47   and name HD12))
  OR 
   (( segid "    " and resid 47   and name HD11))
  OR 
   (( segid "    " and resid 39   and name HG22))
  OR 
   (( segid "    " and resid 39   and name HG21))
 )
      2.700     0.900     0.900 peak  1251 weight  0.10000E+01 volume  0.82000E+00 ppm1      1.199 ppm2      0.884
 ASSI (
   (( segid "    " and resid 38   and name HB3 ))
 )(
   (( segid "    " and resid 90   and name HD23))
  OR 
   (( segid "    " and resid 90   and name HD22))
  OR 
   (( segid "    " and resid 90   and name HD21))
 )
      3.000     1.100     1.100 peak  1252 weight  0.10000E+01 volume  0.45900E+00 ppm1      1.212 ppm2      0.662
 ASSI (
   (( segid "    " and resid 38   and name HB2 ))
 )(
   (( segid "    " and resid 47   and name HD23))
  OR 
   (( segid "    " and resid 47   and name HD22))
  OR 
   (( segid "    " and resid 47   and name HD21))
  OR 
   (( segid "    " and resid 47   and name HD13))
  OR 
   (( segid "    " and resid 47   and name HD12))
  OR 
   (( segid "    " and resid 47   and name HD11))
 )
      2.700     0.900     0.900 peak  1255 weight  0.10000E+01 volume  0.73200E+00 ppm1      1.645 ppm2      0.891
 ASSI (
   (( segid "    " and resid 38   and name HB2 ))
 )(
   (( segid "    " and resid 90   and name HD23))
  OR 
   (( segid "    " and resid 90   and name HD22))
  OR 
   (( segid "    " and resid 90   and name HD21))
  OR 
   (( segid "    " and resid 54   and name HG23))
  OR 
   (( segid "    " and resid 54   and name HG22))
  OR 
   (( segid "    " and resid 54   and name HG21))
 )
      2.900     1.100     1.100 peak  1256 weight  0.10000E+01 volume  0.49900E+00 ppm1      1.635 ppm2      0.636
 ASSI (
   (( segid "    " and resid 18   and name HA  ))
 )(
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 18   and name HG23))
  OR 
   (( segid "    " and resid 18   and name HG22))
  OR 
   (( segid "    " and resid 18   and name HG21))
  OR 
   (( segid "    " and resid 18   and name HG13))
  OR 
   (( segid "    " and resid 18   and name HG12))
  OR 
   (( segid "    " and resid 18   and name HG11))
 )
      2.300     0.700     0.700 peak  1264 weight  0.10000E+01 volume  0.31050E+01 ppm1      3.260 ppm2      0.806
 ASSI (
   (( segid "    " and resid 39   and name HA  ))
 )(
   (( segid "    " and resid 42   and name HB  ))
  OR 
   (( segid "    " and resid 39   and name HB  ))
 )
      2.600     0.800     0.800 peak  1268 weight  0.10000E+01 volume  0.85900E+00 ppm1      3.463 ppm2      2.032
 ASSI (
   (( segid "    " and resid 39   and name HA  ))
 )(
   (( segid "    " and resid 99   and name HD13))
  OR 
   (( segid "    " and resid 99   and name HD12))
  OR 
   (( segid "    " and resid 99   and name HD11))
  OR 
   (( segid "    " and resid 39   and name HG23))
  OR 
   (( segid "    " and resid 39   and name HG22))
  OR 
   (( segid "    " and resid 39   and name HG21))
  OR 
   (( segid "    " and resid 39   and name HG13))
  OR 
   (( segid "    " and resid 39   and name HG12))
  OR 
   (( segid "    " and resid 39   and name HG11))
 )
      2.300     0.700     0.700 peak  1269 weight  0.10000E+01 volume  0.34650E+01 ppm1      3.463 ppm2      0.927
 ASSI (
   (( segid "    " and resid 39   and name HA  ))
 )(
   (( segid "    " and resid 91   and name HG13))
  OR 
   (( segid "    " and resid 91   and name HG12))
  OR 
   (( segid "    " and resid 91   and name HG11))
 )
      3.000     1.100     1.100 peak  1270 weight  0.10000E+01 volume  0.62600E+00 ppm1      3.463 ppm2      0.744
 ASSI (
   (( segid "    " and resid 39   and name HA  ))
 )(
   (( segid "    " and resid 41   and name H   ))
  OR 
   (( segid "    " and resid 39   and name H   ))
 )
      2.800     1.000     1.000 peak  1273 weight  0.10000E+01 volume  0.54700E+00 ppm1      3.466 ppm2      8.644
 ASSI (
   (( segid "    " and resid 93   and name HB  ))
 )(
   (( segid "    " and resid 94   and name H   ))
  OR 
   (( segid "    " and resid 93   and name H   ))
 )
      2.700     0.900     0.900 peak  1277 weight  0.10000E+01 volume  0.42300E+00 ppm1      3.461 ppm2      8.215
 ASSI (
   (( segid "    " and resid 93   and name HB  ))
 )(
   (( segid "    " and resid 99   and name HD13))
  OR 
   (( segid "    " and resid 99   and name HD12))
  OR 
   (( segid "    " and resid 99   and name HD11))
  OR 
   (( segid "    " and resid 91   and name HG23))
  OR 
   (( segid "    " and resid 91   and name HG22))
  OR 
   (( segid "    " and resid 91   and name HG21))
 )
      2.500     0.800     0.800 peak  1278 weight  0.10000E+01 volume  0.11440E+01 ppm1      3.463 ppm2      0.902
 ASSI (
   (( segid "    " and resid 93   and name HB  ))
 )(
   (( segid "    " and resid 93   and name HG23))
  OR 
   (( segid "    " and resid 93   and name HG22))
  OR 
   (( segid "    " and resid 93   and name HG21))
 )
      2.200     0.600     0.600 peak  1279 weight  0.10000E+01 volume  0.25480E+01 ppm1      3.465 ppm2      0.652
 ASSI (
   (( segid "    " and resid 93   and name HB  ))
 )(
   (( segid "    " and resid 99   and name HG12))
  OR 
   (( segid "    " and resid 42   and name HG23))
 )
      3.000     1.100     1.100 peak  1280 weight  0.10000E+01 volume  0.20300E+00 ppm1      3.463 ppm2      1.041
 ASSI (
   (( segid "    " and resid 96   and name HB2 ))
 )(
   (( segid "    " and resid 96   and name HD2 ))
  OR 
   (( segid "    " and resid 96   and name HD1 ))
 )
      2.700     0.900     0.900 peak  1289 weight  0.10000E+01 volume  0.74000E+00 ppm1      3.156 ppm2      7.170
 ASSI (
   (( segid "    " and resid 96   and name HB3 ))
 )(
   (( segid "    " and resid 96   and name HD2 ))
  OR 
   (( segid "    " and resid 96   and name HD1 ))
 )
      2.600     0.800     0.800 peak  1290 weight  0.10000E+01 volume  0.10220E+01 ppm1      3.041 ppm2      7.177
 ASSI (
   (( segid "    " and resid 17   and name HB3 ))
 )(
   (( segid "    " and resid 20   and name HG2 ))
  OR 
   (( segid "    " and resid 20   and name HB3 ))
 )
      2.900     1.100     1.100 peak  1303 weight  0.10000E+01 volume  0.28300E+00 ppm1      2.755 ppm2      1.693
 ASSI (
   (( segid "    " and resid 17   and name HB3 ))
 )(
   (( segid "    " and resid 113  and name HB3 ))
  OR 
   (( segid "    " and resid 20   and name HD3 ))
 )
      2.800     1.000     1.000 peak  1304 weight  0.10000E+01 volume  0.36800E+00 ppm1      2.759 ppm2      1.455
 ASSI (
   (( segid "    " and resid 17   and name HB3 ))
 )(
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 18   and name HG23))
  OR 
   (( segid "    " and resid 18   and name HG22))
  OR 
   (( segid "    " and resid 18   and name HG21))
  OR 
   (( segid "    " and resid 18   and name HG13))
  OR 
   (( segid "    " and resid 18   and name HG12))
  OR 
   (( segid "    " and resid 18   and name HG11))
 )
      3.700     1.700     1.700 peak  1306 weight  0.10000E+01 volume  0.12100E+00 ppm1      2.784 ppm2      0.810
 ASSI (
   (( segid "    " and resid 17   and name HB2 ))
 )(
   (( segid "    " and resid 113  and name HB2 ))
  OR 
   (( segid "    " and resid 20   and name HB2 ))
  OR 
   (( segid "    " and resid 18   and name HB  ))
 )
      3.300     1.400     1.400 peak  1307 weight  0.10000E+01 volume  0.12600E+00 ppm1      3.354 ppm2      1.901
 ASSI (
   (( segid "    " and resid 17   and name HB2 ))
 )(
   (( segid "    " and resid 20   and name HG3 ))
  OR 
   (( segid "    " and resid 20   and name HG2 ))
  OR 
   (( segid "    " and resid 20   and name HB3 ))
 )
      3.100     1.200     1.200 peak  1308 weight  0.10000E+01 volume  0.17800E+00 ppm1      3.354 ppm2      1.692
 ASSI (
   (( segid "    " and resid 17   and name HB2 ))
 )(
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 18   and name HG23))
  OR 
   (( segid "    " and resid 18   and name HG22))
  OR 
   (( segid "    " and resid 18   and name HG21))
  OR 
   (( segid "    " and resid 18   and name HG13))
  OR 
   (( segid "    " and resid 18   and name HG12))
  OR 
   (( segid "    " and resid 18   and name HG11))
 )
      3.000     1.100     1.100 peak  1310 weight  0.10000E+01 volume  0.42600E+00 ppm1      3.351 ppm2      0.826
 ASSI (
   (( segid "    " and resid 17   and name HB2 ))
 )(
   (( segid "    " and resid 113  and name HB3 ))
  OR 
   (( segid "    " and resid 83   and name HG3 ))
  OR 
   (( segid "    " and resid 20   and name HD3 ))
 )
      2.800     1.000     1.000 peak  1311 weight  0.10000E+01 volume  0.31800E+00 ppm1      3.360 ppm2      1.472
 ASSI (
   (( segid "    " and resid 25   and name HB3 ))
  OR 
   (( segid "    " and resid 13   and name HB2 ))
 )(
   (( segid "    " and resid 26   and name H   ))
  OR 
   (( segid "    " and resid 13   and name H   ))
 )
      2.300     0.700     0.700 peak  1312 weight  0.10000E+01 volume  0.11100E+01 ppm1      3.172 ppm2      8.939
 ASSI (
   (( segid "    " and resid 25   and name HB3 ))
 )(
   (( segid "    " and resid 73   and name HG23))
  OR 
   (( segid "    " and resid 73   and name HG22))
  OR 
   (( segid "    " and resid 73   and name HG21))
 )
      3.300     1.400     1.400 peak  1322 weight  0.10000E+01 volume  0.23400E+00 ppm1      3.146 ppm2      0.651
 ASSI (
   (( segid "    " and resid 25   and name HB2 ))
 )(
   (( segid "    " and resid 73   and name HG23))
  OR 
   (( segid "    " and resid 73   and name HG22))
  OR 
   (( segid "    " and resid 73   and name HG21))
 )
      2.900     1.100     1.100 peak  1323 weight  0.10000E+01 volume  0.47500E+00 ppm1      2.752 ppm2      0.664
 ASSI (
   (( segid "    " and resid 25   and name HB3 ))
 )(
   (( segid "    " and resid 73   and name HD13))
  OR 
   (( segid "    " and resid 73   and name HD12))
  OR 
   (( segid "    " and resid 73   and name HD11))
  OR 
   (( segid "    " and resid 26   and name HB2 ))
 )
      2.900     1.100     1.100 peak  1324 weight  0.10000E+01 volume  0.46400E+00 ppm1      3.148 ppm2      0.505
 ASSI (
   (( segid "    " and resid 85   and name HB3 ))
  OR 
   (( segid "    " and resid 85   and name HB2 ))
 )(
   (( segid "    " and resid 85   and name HA  ))
 )
      2.400     0.700     0.700 peak  1333 weight  0.10000E+01 volume  0.12390E+01 ppm1      3.017 ppm2      5.250
 ASSI (
   (( segid "    " and resid 56   and name HB3 ))
 )(
   (( segid "    " and resid 47   and name HD23))
  OR 
   (( segid "    " and resid 47   and name HD22))
  OR 
   (( segid "    " and resid 47   and name HD21))
 )
      2.700     0.900     0.900 peak  1336 weight  0.10000E+01 volume  0.76600E+00 ppm1      2.988 ppm2      0.877
 ASSI (
   (( segid "    " and resid 56   and name HB3 ))
 )(
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
  OR 
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
  OR 
   (( segid "    " and resid 54   and name HG13))
  OR 
   (( segid "    " and resid 54   and name HG12))
  OR 
   (( segid "    " and resid 54   and name HG11))
 )
      2.900     1.100     1.100 peak  1337 weight  0.10000E+01 volume  0.50300E+00 ppm1      2.988 ppm2      0.558
 ASSI (
   (( segid "    " and resid 85   and name HB3 ))
  OR 
   (( segid "    " and resid 85   and name HB2 ))
 )(
   (( segid "    " and resid 85   and name HD2 ))
 )
      3.400     1.400     1.400 peak  1338 weight  0.10000E+01 volume  0.18500E+00 ppm1      2.998 ppm2      7.007
 ASSI (
   (( segid "    " and resid 85   and name HB3 ))
  OR 
   (( segid "    " and resid 85   and name HB2 ))
 )(
   (( segid "    " and resid 112  and name H   ))
  OR 
   (( segid "    " and resid 86   and name H   ))
 )
      2.800     1.000     1.000 peak  1341 weight  0.10000E+01 volume  0.32600E+00 ppm1      3.016 ppm2      8.787
 ASSI (
   (( segid "    " and resid 85   and name HB3 ))
  OR 
   (( segid "    " and resid 85   and name HB2 ))
 )(
   (( segid "    " and resid 85   and name H   ))
 )
      2.300     0.700     0.700 peak  1342 weight  0.10000E+01 volume  0.12100E+01 ppm1      3.009 ppm2      8.295
 ASSI (
   (( segid "    " and resid 56   and name HB2 ))
 )(
   (( segid "    " and resid 47   and name HD23))
  OR 
   (( segid "    " and resid 47   and name HD22))
  OR 
   (( segid "    " and resid 47   and name HD21))
 )
      2.900     1.100     1.100 peak  1346 weight  0.10000E+01 volume  0.57400E+00 ppm1      2.376 ppm2      0.877
 ASSI (
   (( segid "    " and resid 56   and name HB2 ))
 )(
   (( segid "    " and resid 90   and name HD13))
  OR 
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
  OR 
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
  OR 
   (( segid "    " and resid 54   and name HG13))
  OR 
   (( segid "    " and resid 54   and name HG12))
  OR 
   (( segid "    " and resid 54   and name HG11))
 )
      2.700     0.900     0.900 peak  1347 weight  0.10000E+01 volume  0.82700E+00 ppm1      2.375 ppm2      0.559
 ASSI (
   (( segid "    " and resid 35   and name HG3 ))
 )(
   (( segid "    " and resid 37   and name HA  ))
  OR 
   (( segid "    " and resid 35   and name HA  ))
 )
      3.300     1.400     1.400 peak  1350 weight  0.10000E+01 volume  0.18600E+00 ppm1      2.410 ppm2      4.543
 ASSI (
   (( segid "    " and resid 35   and name HG3 ))
 )(
   (( segid "    " and resid 43   and name HA3 ))
  OR 
   (( segid "    " and resid 42   and name HA  ))
 )
      3.500     1.500     1.500 peak  1354 weight  0.10000E+01 volume  0.12900E+00 ppm1      2.419 ppm2      3.722
 ASSI (
   (( segid "    " and resid 35   and name HG3 ))
 )(
   (( segid "    " and resid 58   and name HB2 ))
  OR 
   (( segid "    " and resid 36   and name HB2 ))
 )
      3.100     1.200     1.200 peak  1357 weight  0.10000E+01 volume  0.19900E+00 ppm1      2.411 ppm2      2.609
 ASSI (
   (( segid "    " and resid 53   and name HB3 ))
 )(
   (( segid "    " and resid 53   and name HG3 ))
  OR 
   (( segid "    " and resid 53   and name HB2 ))
 )
      1.800     0.400     0.400 peak  1358 weight  0.10000E+01 volume  0.51070E+01 ppm1      2.171 ppm2      1.933
 ASSI (
   (( segid "    " and resid 35   and name HG2 ))
 )(
   (( segid "    " and resid 93   and name HG23))
  OR 
   (( segid "    " and resid 93   and name HG22))
  OR 
   (( segid "    " and resid 93   and name HG21))
 )
      3.400     1.400     1.400 peak  1363 weight  0.10000E+01 volume  0.18500E+00 ppm1      2.159 ppm2      0.659
 ASSI (
   (( segid "    " and resid 35   and name HG3 ))
 )(
   (( segid "    " and resid 93   and name HG23))
  OR 
   (( segid "    " and resid 93   and name HG22))
  OR 
   (( segid "    " and resid 93   and name HG21))
  OR 
   (( segid "    " and resid 90   and name HD23))
 )
      3.400     1.400     1.400 peak  1364 weight  0.10000E+01 volume  0.18700E+00 ppm1      2.415 ppm2      0.641
 ASSI (
   (( segid "    " and resid 35   and name HG3 ))
 )(
   (( segid "    " and resid 37   and name HG23))
  OR 
   (( segid "    " and resid 37   and name HG22))
  OR 
   (( segid "    " and resid 37   and name HG21))
 )
      3.600     1.600     1.600 peak  1365 weight  0.10000E+01 volume  0.15500E+00 ppm1      2.411 ppm2      1.023
 ASSI (
   (( segid "    " and resid 35   and name HG2 ))
 )(
   (( segid "    " and resid 37   and name HG23))
  OR 
   (( segid "    " and resid 37   and name HG22))
  OR 
   (( segid "    " and resid 37   and name HG21))
 )
      3.300     1.400     1.400 peak  1366 weight  0.10000E+01 volume  0.22500E+00 ppm1      2.159 ppm2      1.024
 ASSI (
   (( segid "    " and resid 36   and name HB2 ))
 )(
   (( segid "    " and resid 74   and name HD2 ))
  OR 
   (( segid "    " and resid 74   and name HD1 ))
  OR 
   (( segid "    " and resid 36   and name HE3 ))
 )
      3.200     1.300     1.300 peak  1371 weight  0.10000E+01 volume  0.26400E+00 ppm1      2.591 ppm2      7.191
 ASSI (
   (( segid "    " and resid 36   and name HB2 ))
 )(
   (( segid "    " and resid 90   and name HD13))
  OR 
   (( segid "    " and resid 90   and name HD12))
  OR 
   (( segid "    " and resid 90   and name HD11))
  OR 
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
  OR 
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG11))
  OR 
   (( segid "    " and resid 34   and name HB3 ))
 )
      2.900     1.100     1.100 peak  1374 weight  0.10000E+01 volume  0.49100E+00 ppm1      2.590 ppm2      0.560
 ASSI (
   (( segid "    " and resid 36   and name HB3 ))
 )(
   (( segid "    " and resid 74   and name HD2 ))
  OR 
   (( segid "    " and resid 74   and name HD1 ))
  OR 
   (( segid "    " and resid 36   and name HE3 ))
 )
      3.200     1.300     1.300 peak  1375 weight  0.10000E+01 volume  0.28700E+00 ppm1      1.996 ppm2      7.179
 ASSI (
   (( segid "    " and resid 112  and name HB  ))
 )(
   (( segid "    " and resid 112  and name HG23))
  OR 
   (( segid "    " and resid 112  and name HG22))
  OR 
   (( segid "    " and resid 112  and name HG21))
  OR 
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
 )
      1.900     0.500     0.500 peak  1379 weight  0.10000E+01 volume  0.68620E+01 ppm1      2.655 ppm2      0.853
 ASSI (
   (( segid "    " and resid 112  and name HB  ))
 )(
   (( segid "    " and resid 112  and name H   ))
  OR 
   (( segid "    " and resid 86   and name H   ))
 )
      2.500     0.800     0.800 peak  1382 weight  0.10000E+01 volume  0.66000E+00 ppm1      2.650 ppm2      8.777
 ASSI (
   (( segid "    " and resid 86   and name HB2 ))
 )(
   (( segid "    " and resid 88   and name H   ))
  OR 
   (( segid "    " and resid 87   and name H   ))
 )
      2.800     1.000     1.000 peak  1387 weight  0.10000E+01 volume  0.36100E+00 ppm1      2.521 ppm2      9.180
 ASSI (
   (( segid "    " and resid 86   and name HB3 ))
 )(
   (( segid "    " and resid 112  and name H   ))
  OR 
   (( segid "    " and resid 86   and name H   ))
 )
      3.000     1.100     1.100 peak  1388 weight  0.10000E+01 volume  0.21300E+00 ppm1      3.128 ppm2      8.805
 ASSI (
   (( segid "    " and resid 86   and name HB3 ))
 )(
   (( segid "    " and resid 110  and name HB2 ))
  OR 
   (( segid "    " and resid 82   and name HD3 ))
 )
      3.200     1.300     1.300 peak  1392 weight  0.10000E+01 volume  0.14000E+00 ppm1      3.110 ppm2      1.653
 ASSI (
   (( segid "    " and resid 86   and name HB2 ))
 )(
   (( segid "    " and resid 112  and name HG23))
  OR 
   (( segid "    " and resid 112  and name HG22))
  OR 
   (( segid "    " and resid 112  and name HG21))
 )
      3.400     1.400     1.400 peak  1393 weight  0.10000E+01 volume  0.19100E+00 ppm1      2.537 ppm2      0.877
 ASSI (
   (( segid "    " and resid 86   and name HB2 ))
 )(
   (( segid "    " and resid 110  and name HB2 ))
  OR 
   (( segid "    " and resid 82   and name HD3 ))
 )
      2.800     1.000     1.000 peak  1394 weight  0.10000E+01 volume  0.30300E+00 ppm1      2.534 ppm2      1.678
 ASSI (
   (( segid "    " and resid 86   and name HB3 ))
 )(
   (( segid "    " and resid 110  and name HD21))
  OR 
   (( segid "    " and resid 110  and name HD13))
  OR 
   (( segid "    " and resid 110  and name HD12))
  OR 
   (( segid "    " and resid 110  and name HD11))
  OR 
   (( segid "    " and resid 88   and name HD22))
  OR 
   (( segid "    " and resid 88   and name HD21))
  OR 
   (( segid "    " and resid 87   and name HG23))
  OR 
   (( segid "    " and resid 87   and name HG22))
  OR 
   (( segid "    " and resid 87   and name HG21))
  OR 
   (( segid "    " and resid 52   and name HD23))
  OR 
   (( segid "    " and resid 52   and name HD22))
  OR 
   (( segid "    " and resid 52   and name HD21))
  OR 
   (( segid "    " and resid 52   and name HD13))
  OR 
   (( segid "    " and resid 52   and name HD12))
  OR 
   (( segid "    " and resid 52   and name HD11))
  OR 
   (( segid "    " and resid 51   and name HD12))
 )
      2.700     0.900     0.900 peak  1396 weight  0.10000E+01 volume  0.88100E+00 ppm1      3.122 ppm2      0.716
 ASSI (
   (( segid "    " and resid 86   and name HB2 ))
 )(
   (( segid "    " and resid 110  and name HD23))
  OR 
   (( segid "    " and resid 110  and name HD22))
  OR 
   (( segid "    " and resid 110  and name HD21))
  OR 
   (( segid "    " and resid 110  and name HD13))
  OR 
   (( segid "    " and resid 110  and name HD12))
  OR 
   (( segid "    " and resid 110  and name HD11))
  OR 
   (( segid "    " and resid 87   and name HG23))
  OR 
   (( segid "    " and resid 52   and name HD23))
  OR 
   (( segid "    " and resid 52   and name HD22))
  OR 
   (( segid "    " and resid 52   and name HD21))
  OR 
   (( segid "    " and resid 52   and name HD13))
  OR 
   (( segid "    " and resid 52   and name HD12))
  OR 
   (( segid "    " and resid 52   and name HD11))
 )
      2.500     0.800     0.800 peak  1397 weight  0.10000E+01 volume  0.12640E+01 ppm1      2.526 ppm2      0.716
 ASSI (
   (( segid "    " and resid 86   and name HB3 ))
 )(
   (( segid "    " and resid 51   and name HG23))
  OR 
   (( segid "    " and resid 51   and name HG22))
  OR 
   (( segid "    " and resid 51   and name HG21))
 )
      3.100     1.200     1.200 peak  1398 weight  0.10000E+01 volume  0.34600E+00 ppm1      3.121 ppm2      0.299
 ASSI (
   (( segid "    " and resid 86   and name HB2 ))
 )(
   (( segid "    " and resid 51   and name HG23))
  OR 
   (( segid "    " and resid 51   and name HG22))
  OR 
   (( segid "    " and resid 51   and name HG21))
 )
      3.500     1.500     1.500 peak  1399 weight  0.10000E+01 volume  0.17500E+00 ppm1      2.530 ppm2      0.300
 ASSI (
   (( segid "    " and resid 104  and name HG2 ))
 )(
   (( segid "    " and resid 104  and name H   ))
  OR 
   (( segid "    " and resid 36   and name HE1 ))
 )
      2.800     1.000     1.000 peak  1406 weight  0.10000E+01 volume  0.35400E+00 ppm1      2.444 ppm2      9.220
 ASSI (
   (( segid "    " and resid 104  and name HG3 ))
 )(
   (( segid "    " and resid 104  and name H   ))
  OR 
   (( segid "    " and resid 36   and name HE1 ))
 )
      2.900     1.100     1.100 peak  1407 weight  0.10000E+01 volume  0.29300E+00 ppm1      2.493 ppm2      9.207
 ASSI (
   (( segid "    " and resid 102  and name HG3 ))
  OR 
   (( segid "    " and resid 102  and name HG2 ))
 )(
   (( segid "    " and resid 102  and name HA  ))
  OR 
   (( segid "    " and resid 101  and name HA  ))
 )
      2.400     0.700     0.700 peak  1410 weight  0.10000E+01 volume  0.14060E+01 ppm1      2.281 ppm2      4.217
 ASSI (
   (( segid "    " and resid 50   and name HG3 ))
  OR 
   (( segid "    " and resid 50   and name HG2 ))
 )(
   (( segid "    " and resid 50   and name HA  ))
 )
      2.600     0.800     0.800 peak  1411 weight  0.10000E+01 volume  0.77200E+00 ppm1      2.283 ppm2      4.016
 ASSI (
   (( segid "    " and resid 50   and name HG3 ))
  OR 
   (( segid "    " and resid 50   and name HG2 ))
 )(
   (( segid "    " and resid 49   and name HB2 ))
 )
      3.000     1.100     1.100 peak  1412 weight  0.10000E+01 volume  0.20900E+00 ppm1      2.285 ppm2      3.274
 ASSI (
   (( segid "    " and resid 102  and name HG3 ))
  OR 
   (( segid "    " and resid 102  and name HG2 ))
  OR 
   (( segid "    " and resid 50   and name HG3 ))
  OR 
   (( segid "    " and resid 50   and name HG2 ))
 )(
   (( segid "    " and resid 103  and name HB3 ))
  OR 
   (( segid "    " and resid 81   and name HD3 ))
 )
      3.100     1.200     1.200 peak  1413 weight  0.10000E+01 volume  0.18800E+00 ppm1      2.282 ppm2      3.069
 ASSI (
   (( segid "    " and resid 50   and name HG3 ))
  OR 
   (( segid "    " and resid 50   and name HG2 ))
 )(
   (( segid "    " and resid 82   and name HE3 ))
  OR 
   (( segid "    " and resid 82   and name HE2 ))
 )
      2.600     0.800     0.800 peak  1414 weight  0.10000E+01 volume  0.48700E+00 ppm1      2.286 ppm2      2.948
 ASSI (
   (( segid "    " and resid 102  and name HG3 ))
  OR 
   (( segid "    " and resid 102  and name HG2 ))
  OR 
   (( segid "    " and resid 50   and name HG3 ))
  OR 
   (( segid "    " and resid 50   and name HG2 ))
 )(
   (( segid "    " and resid 102  and name HB3 ))
  OR 
   (( segid "    " and resid 102  and name HB2 ))
  OR 
   (( segid "    " and resid 100  and name HB2 ))
  OR 
   (( segid "    " and resid 50   and name HB3 ))
  OR 
   (( segid "    " and resid 50   and name HB2 ))
 )
      1.300     0.200     0.900 peak  1418 weight  0.10000E+01 volume  0.27054E+02 ppm1      2.285 ppm2      2.052
 ASSI (
   (( segid "    " and resid 102  and name HG3 ))
  OR 
   (( segid "    " and resid 102  and name HG2 ))
  OR 
   (( segid "    " and resid 50   and name HG3 ))
  OR 
   (( segid "    " and resid 50   and name HG2 ))
 )(
   (( segid "    " and resid 100  and name HG3 ))
  OR 
   (( segid "    " and resid 100  and name HG2 ))
  OR 
   (( segid "    " and resid 100  and name HB3 ))
  OR 
   (( segid "    " and resid 82   and name HG3 ))
  OR 
   (( segid "    " and resid 82   and name HG2 ))
  OR 
   (( segid "    " and resid 51   and name HG13))
 )
      2.500     0.800     0.800 peak  1419 weight  0.10000E+01 volume  0.60900E+00 ppm1      2.284 ppm2      1.479
 ASSI (
   (( segid "    " and resid 50   and name HG3 ))
  OR 
   (( segid "    " and resid 50   and name HG2 ))
 )(
   (( segid "    " and resid 51   and name HG12))
 )
      3.100     1.200     1.200 peak  1420 weight  0.10000E+01 volume  0.19200E+00 ppm1      2.281 ppm2      1.073
 ASSI (
   (( segid "    " and resid 50   and name HG3 ))
  OR 
   (( segid "    " and resid 50   and name HG2 ))
 )(
   (( segid "    " and resid 51   and name HD13))
  OR 
   (( segid "    " and resid 51   and name HD12))
  OR 
   (( segid "    " and resid 51   and name HD11))
 )
      3.400     1.400     1.400 peak  1421 weight  0.10000E+01 volume  0.19700E+00 ppm1      2.286 ppm2      0.737
 ASSI (
   (( segid "    " and resid 50   and name HG3 ))
  OR 
   (( segid "    " and resid 50   and name HG2 ))
 )(
   (( segid "    " and resid 82   and name HA  ))
  OR 
   (( segid "    " and resid 49   and name HA  ))
 )
      3.400     1.400     1.400 peak  1422 weight  0.10000E+01 volume  0.16200E+00 ppm1      2.287 ppm2      4.704
 ASSI (
   (( segid "    " and resid 102  and name HG3 ))
  OR 
   (( segid "    " and resid 102  and name HG2 ))
 )(
   (( segid "    " and resid 103  and name H   ))
  OR 
   (( segid "    " and resid 100  and name H   ))
 )
      2.900     1.100     1.100 peak  1423 weight  0.10000E+01 volume  0.27000E+00 ppm1      2.286 ppm2      7.779
 ASSI (
   (( segid "    " and resid 50   and name HG3 ))
  OR 
   (( segid "    " and resid 50   and name HG2 ))
 )(
   (( segid "    " and resid 51   and name H   ))
 )
      3.000     1.100     1.100 peak  1424 weight  0.10000E+01 volume  0.21500E+00 ppm1      2.289 ppm2      7.592
 ASSI (
   (( segid "    " and resid 102  and name HG3 ))
  OR 
   (( segid "    " and resid 102  and name HG2 ))
 )(
   (( segid "    " and resid 102  and name H   ))
 )
      2.400     0.700     0.700 peak  1425 weight  0.10000E+01 volume  0.76900E+00 ppm1      2.282 ppm2      8.852
 ASSI (
   (( segid "    " and resid 50   and name HG3 ))
  OR 
   (( segid "    " and resid 50   and name HG2 ))
 )(
   (( segid "    " and resid 50   and name H   ))
 )
      2.600     0.800     0.800 peak  1426 weight  0.10000E+01 volume  0.58000E+00 ppm1      2.283 ppm2      8.597
 ASSI (
   (( segid "    " and resid 82   and name HB2 ))
 )(
   (( segid "    " and resid 82   and name HG2 ))
  OR 
   (( segid "    " and resid 82   and name HB3 ))
 )
      1.700     0.400     0.500 peak  1429 weight  0.10000E+01 volume  0.79180E+01 ppm1      1.954 ppm2      1.509
 ASSI (
   (( segid "    " and resid 82   and name HB2 ))
 )(
   (( segid "    " and resid 110  and name HD11))
  OR 
   (( segid "    " and resid 51   and name HD13))
  OR 
   (( segid "    " and resid 51   and name HD12))
  OR 
   (( segid "    " and resid 51   and name HD11))
  OR 
   (( segid "    " and resid 18   and name HG13))
  OR 
   (( segid "    " and resid 18   and name HG12))
  OR 
   (( segid "    " and resid 18   and name HG11))
 )
      3.200     1.300     1.300 peak  1430 weight  0.10000E+01 volume  0.27500E+00 ppm1      1.961 ppm2      0.780
 ASSI (
   (( segid "    " and resid 82   and name HB2 ))
 )(
   (( segid "    " and resid 51   and name HG23))
  OR 
   (( segid "    " and resid 51   and name HG22))
  OR 
   (( segid "    " and resid 51   and name HG21))
 )
      3.400     1.400     1.400 peak  1431 weight  0.10000E+01 volume  0.20300E+00 ppm1      1.964 ppm2      0.298
 ASSI (
   (( segid "    " and resid 82   and name HB3 ))
 )(
   (( segid "    " and resid 110  and name HD13))
  OR 
   (( segid "    " and resid 110  and name HD12))
  OR 
   (( segid "    " and resid 110  and name HD11))
  OR 
   (( segid "    " and resid 51   and name HD13))
  OR 
   (( segid "    " and resid 51   and name HD12))
  OR 
   (( segid "    " and resid 51   and name HD11))
 )
      3.300     1.400     1.400 peak  1443 weight  0.10000E+01 volume  0.23600E+00 ppm1      1.515 ppm2      0.742
 ASSI (
   (( segid "    " and resid 82   and name HB3 ))
 )(
   (( segid "    " and resid 51   and name HG23))
  OR 
   (( segid "    " and resid 51   and name HG22))
  OR 
   (( segid "    " and resid 51   and name HG21))
 )
      3.300     1.400     1.400 peak  1444 weight  0.10000E+01 volume  0.23500E+00 ppm1      1.511 ppm2      0.306
 ASSI (
   (( segid "    " and resid 99   and name HB  ))
 )(
   (( segid "    " and resid 99   and name HD13))
  OR 
   (( segid "    " and resid 99   and name HD12))
  OR 
   (( segid "    " and resid 99   and name HD11))
 )
      2.300     0.700     0.700 peak  1445 weight  0.10000E+01 volume  0.22470E+01 ppm1      1.613 ppm2      0.937
 ASSI (
   (( segid "    " and resid 51   and name HB  ))
 )(
   (( segid "    " and resid 52   and name HG  ))
  OR 
   (( segid "    " and resid 51   and name HG13))
 )
      2.200     0.600     0.600 peak  1451 weight  0.10000E+01 volume  0.12720E+01 ppm1      1.763 ppm2      1.468
 ASSI (
   (( segid "    " and resid 51   and name HB  ))
 )(
   (( segid "    " and resid 52   and name HD13))
  OR 
   (( segid "    " and resid 52   and name HD12))
  OR 
   (( segid "    " and resid 52   and name HD11))
  OR 
   (( segid "    " and resid 51   and name HD13))
  OR 
   (( segid "    " and resid 51   and name HD12))
  OR 
   (( segid "    " and resid 51   and name HD11))
 )
      2.500     0.800     0.800 peak  1453 weight  0.10000E+01 volume  0.12960E+01 ppm1      1.765 ppm2      0.723
 ASSI (
   (( segid "    " and resid 51   and name HB  ))
 )(
   (( segid "    " and resid 51   and name HG23))
  OR 
   (( segid "    " and resid 51   and name HG22))
  OR 
   (( segid "    " and resid 51   and name HG21))
 )
      2.300     0.700     0.700 peak  1454 weight  0.10000E+01 volume  0.21230E+01 ppm1      1.766 ppm2      0.297
 ASSI (
   (( segid "    " and resid 48   and name HB2 ))
 )(
   (( segid "    " and resid 53   and name HA  ))
  OR 
   (( segid "    " and resid 48   and name HA  ))
 )
      2.500     0.800     0.800 peak  1471 weight  0.10000E+01 volume  0.90200E+00 ppm1      3.640 ppm2      4.563
 ASSI (
   (( segid "    " and resid 48   and name HB3 ))
 )(
   (( segid "    " and resid 53   and name HA  ))
  OR 
   (( segid "    " and resid 48   and name HA  ))
 )
      2.400     0.700     0.700 peak  1472 weight  0.10000E+01 volume  0.13630E+01 ppm1      4.068 ppm2      4.563
 ASSI (
   (( segid "    " and resid 48   and name HB2 ))
 )(
   (( segid "    " and resid 46   and name HG23))
  OR 
   (( segid "    " and resid 46   and name HG22))
  OR 
   (( segid "    " and resid 46   and name HG21))
 )
      3.000     1.100     1.100 peak  1475 weight  0.10000E+01 volume  0.40900E+00 ppm1      3.639 ppm2      1.145
 ASSI (
   (( segid "    " and resid 48   and name HB3 ))
 )(
   (( segid "    " and resid 46   and name HG23))
  OR 
   (( segid "    " and resid 46   and name HG22))
  OR 
   (( segid "    " and resid 46   and name HG21))
 )
      3.400     1.400     1.400 peak  1476 weight  0.10000E+01 volume  0.21700E+00 ppm1      4.071 ppm2      1.147
 ASSI (
   (( segid "    " and resid 42   and name HA  ))
 )(
   (( segid "    " and resid 42   and name HG23))
  OR 
   (( segid "    " and resid 42   and name HG22))
  OR 
   (( segid "    " and resid 42   and name HG21))
  OR 
   (( segid "    " and resid 37   and name HG23))
  OR 
   (( segid "    " and resid 37   and name HG22))
  OR 
   (( segid "    " and resid 37   and name HG21))
 )
      2.500     0.800     0.800 peak  1483 weight  0.10000E+01 volume  0.20570E+01 ppm1      3.722 ppm2      1.020
 ASSI (
   (( segid "    " and resid 42   and name HA  ))
 )(
   (( segid "    " and resid 47   and name HD13))
  OR 
   (( segid "    " and resid 47   and name HD11))
  OR 
   (( segid "    " and resid 42   and name HG13))
  OR 
   (( segid "    " and resid 42   and name HG12))
  OR 
   (( segid "    " and resid 42   and name HG11))
 )
      2.600     0.800     0.800 peak  1484 weight  0.10000E+01 volume  0.17020E+01 ppm1      3.722 ppm2      0.857
 ASSI (
   (( segid "    " and resid 95   and name HA  ))
 )(
   (( segid "    " and resid 99   and name HG13))
  OR 
   (( segid "    " and resid 97   and name HB2 ))
  OR 
   (( segid "    " and resid 95   and name HG2 ))
 )
      2.900     1.100     1.100 peak  1488 weight  0.10000E+01 volume  0.45600E+00 ppm1      3.834 ppm2      1.715
 ASSI (
   (( segid "    " and resid 95   and name HA  ))
 )(
   (( segid "    " and resid 99   and name HG12))
  OR 
   (( segid "    " and resid 42   and name HG23))
  OR 
   (( segid "    " and resid 42   and name HG22))
  OR 
   (( segid "    " and resid 42   and name HG21))
  OR 
   (( segid "    " and resid 37   and name HG23))
  OR 
   (( segid "    " and resid 37   and name HG22))
  OR 
   (( segid "    " and resid 37   and name HG21))
 )
      3.600     1.600     1.600 peak  1489 weight  0.10000E+01 volume  0.21200E+00 ppm1      3.830 ppm2      1.025
 ASSI (
   (( segid "    " and resid 95   and name HA  ))
 )(
   (( segid "    " and resid 42   and name HG13))
  OR 
   (( segid "    " and resid 42   and name HG12))
  OR 
   (( segid "    " and resid 42   and name HG11))
 )
      2.800     1.000     1.000 peak  1490 weight  0.10000E+01 volume  0.10530E+01 ppm1      3.828 ppm2      0.858
 ASSI (
   (( segid "    " and resid 63   and name HB3 ))
 )(
   (( segid "    " and resid 70   and name HG23))
  OR 
   (( segid "    " and resid 70   and name HG22))
  OR 
   (( segid "    " and resid 70   and name HG21))
  OR 
   (( segid "    " and resid 70   and name HG13))
  OR 
   (( segid "    " and resid 70   and name HG12))
  OR 
   (( segid "    " and resid 70   and name HG11))
  OR 
   (( segid "    " and resid 68   and name HG13))
  OR 
   (( segid "    " and resid 68   and name HG12))
  OR 
   (( segid "    " and resid 68   and name HG11))
 )
      3.700     1.700     1.700 peak  1496 weight  0.10000E+01 volume  0.13000E+00 ppm1      3.930 ppm2      0.954
 ASSI (
   (( segid "    " and resid 63   and name HB2 ))
 )(
   (( segid "    " and resid 70   and name HG23))
  OR 
   (( segid "    " and resid 70   and name HG22))
  OR 
   (( segid "    " and resid 70   and name HG21))
  OR 
   (( segid "    " and resid 70   and name HG13))
  OR 
   (( segid "    " and resid 70   and name HG12))
  OR 
   (( segid "    " and resid 70   and name HG11))
  OR 
   (( segid "    " and resid 68   and name HG13))
  OR 
   (( segid "    " and resid 68   and name HG12))
 )
      3.400     1.400     1.400 peak  1497 weight  0.10000E+01 volume  0.19700E+00 ppm1      3.815 ppm2      0.951
 ASSI (
   (( segid "    " and resid 66   and name HA  ))
 )(
   (( segid "    " and resid 66   and name HG3 ))
  OR 
   (( segid "    " and resid 66   and name HB2 ))
 )
      2.500     0.800     0.800 peak  1507 weight  0.10000E+01 volume  0.96800E+00 ppm1      4.375 ppm2      1.947
 ASSI (
   (( segid "    " and resid 62   and name HA  ))
  OR 
   (( segid "    " and resid 4    and name HA  ))
 )(
   (( segid "    " and resid 62   and name HB3 ))
  OR 
   (( segid "    " and resid 4    and name HB3 ))
 )
      2.300     0.700     0.700 peak  1510 weight  0.10000E+01 volume  0.16330E+01 ppm1      4.415 ppm2      2.262
 ASSI (
   (( segid "    " and resid 62   and name HA  ))
  OR 
   (( segid "    " and resid 4    and name HA  ))
 )(
   (( segid "    " and resid 62   and name HB2 ))
  OR 
   (( segid "    " and resid 4    and name HB2 ))
 )
      2.200     0.600     0.600 peak  1511 weight  0.10000E+01 volume  0.19450E+01 ppm1      4.416 ppm2      1.921
 ASSI (
   (( segid "    " and resid 22   and name HA  ))
 )(
   (( segid "    " and resid 23   and name HG2 ))
  OR 
   (( segid "    " and resid 23   and name HB3 ))
  OR 
   (( segid "    " and resid 23   and name HB2 ))
 )
      2.800     1.000     1.000 peak  1515 weight  0.10000E+01 volume  0.47800E+00 ppm1      4.365 ppm2      1.778
 ASSI (
   (( segid "    " and resid 22   and name HA  ))
 )(
   (( segid "    " and resid 22   and name HG23))
  OR 
   (( segid "    " and resid 22   and name HG22))
  OR 
   (( segid "    " and resid 22   and name HG21))
 )
      2.600     0.800     0.800 peak  1516 weight  0.10000E+01 volume  0.14040E+01 ppm1      4.368 ppm2      1.082
 ASSI (
   (( segid "    " and resid 4    and name HA  ))
 )(
   (( segid "    " and resid 8    and name HD3 ))
  OR 
   (( segid "    " and resid 8    and name HD2 ))
 )
      3.200     1.300     1.300 peak  1517 weight  0.10000E+01 volume  0.22900E+00 ppm1      4.385 ppm2      1.739
 ASSI (
   (( segid "    " and resid 32   and name HA  ))
 )(
   (( segid "    " and resid 32   and name HG23))
  OR 
   (( segid "    " and resid 32   and name HG22))
  OR 
   (( segid "    " and resid 32   and name HG21))
 )
      2.600     0.800     0.800 peak  1518 weight  0.10000E+01 volume  0.16830E+01 ppm1      4.365 ppm2      1.398
 ASSI (
   (( segid "    " and resid 22   and name HA  ))
  OR 
   (( segid "    " and resid 4    and name HA  ))
 )(
   (( segid "    " and resid 22   and name HB  ))
  OR 
   (( segid "    " and resid 4    and name HD2 ))
 )
      3.200     1.300     1.300 peak  1520 weight  0.10000E+01 volume  0.21200E+00 ppm1      4.374 ppm2      3.669
 ASSI (
   (( segid "    " and resid 7    and name HA  ))
 )(
   (( segid "    " and resid 7    and name HG23))
  OR 
   (( segid "    " and resid 7    and name HG22))
  OR 
   (( segid "    " and resid 7    and name HG21))
  OR 
   (( segid "    " and resid 7    and name HG13))
  OR 
   (( segid "    " and resid 7    and name HG12))
  OR 
   (( segid "    " and resid 7    and name HG11))
 )
      2.900     1.100     1.100 peak  1524 weight  0.10000E+01 volume  0.85800E+00 ppm1      4.204 ppm2      0.983
 ASSI (
   (( segid "    " and resid 75   and name HA  ))
  OR 
   (( segid "    " and resid 60   and name HA  ))
 )(
   (( segid "    " and resid 75   and name HB  ))
  OR 
   (( segid "    " and resid 60   and name HB2 ))
 )
      2.400     0.700     0.700 peak  1527 weight  0.10000E+01 volume  0.11960E+01 ppm1      4.324 ppm2      1.851
 ASSI (
   (( segid "    " and resid 60   and name HA  ))
 )(
   (( segid "    " and resid 60   and name HG3 ))
  OR 
   (( segid "    " and resid 60   and name HG2 ))
 )
      2.900     1.100     1.100 peak  1528 weight  0.10000E+01 volume  0.44900E+00 ppm1      4.334 ppm2      2.005
 ASSI (
   (( segid "    " and resid 75   and name HA  ))
  OR 
   (( segid "    " and resid 46   and name HA  ))
 )(
   (( segid "    " and resid 75   and name H   ))
  OR 
   (( segid "    " and resid 47   and name H   ))
 )
      2.100     0.600     0.600 peak  1531 weight  0.10000E+01 volume  0.27860E+01 ppm1      4.303 ppm2      8.839
 ASSI (
   (( segid "    " and resid 70   and name HA  ))
  OR 
   (( segid "    " and resid 46   and name HA  ))
 )(
   (( segid "    " and resid 70   and name HB  ))
  OR 
   (( segid "    " and resid 46   and name HB  ))
 )
      2.500     0.800     0.800 peak  1539 weight  0.10000E+01 volume  0.10060E+01 ppm1      4.302 ppm2      2.177
 ASSI (
   (( segid "    " and resid 75   and name HA  ))
  OR 
   (( segid "    " and resid 46   and name HA  ))
 )(
   (( segid "    " and resid 57   and name HB3 ))
  OR 
   (( segid "    " and resid 47   and name HG  ))
 )
      2.600     0.800     0.800 peak  1540 weight  0.10000E+01 volume  0.80900E+00 ppm1      4.297 ppm2      1.680
 ASSI (
   (( segid "    " and resid 46   and name HA  ))
 )(
   (( segid "    " and resid 46   and name HG23))
  OR 
   (( segid "    " and resid 46   and name HG22))
  OR 
   (( segid "    " and resid 46   and name HG21))
 )
      2.200     0.600     0.600 peak  1541 weight  0.10000E+01 volume  0.41010E+01 ppm1      4.302 ppm2      1.116
 ASSI (
   (( segid "    " and resid 70   and name HA  ))
 )(
   (( segid "    " and resid 70   and name HG23))
  OR 
   (( segid "    " and resid 70   and name HG22))
  OR 
   (( segid "    " and resid 70   and name HG21))
  OR 
   (( segid "    " and resid 70   and name HG13))
  OR 
   (( segid "    " and resid 70   and name HG12))
  OR 
   (( segid "    " and resid 70   and name HG11))
 )
      2.600     0.800     0.800 peak  1542 weight  0.10000E+01 volume  0.16750E+01 ppm1      4.260 ppm2      0.961
 ASSI (
   (( segid "    " and resid 75   and name HA  ))
 )(
   (( segid "    " and resid 75   and name HG23))
  OR 
   (( segid "    " and resid 75   and name HG22))
  OR 
   (( segid "    " and resid 75   and name HG21))
 )
      2.700     0.900     0.900 peak  1543 weight  0.10000E+01 volume  0.12870E+01 ppm1      4.293 ppm2      0.762
 ASSI (
   (( segid "    " and resid 75   and name HA  ))
 )(
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
  OR 
   (( segid "    " and resid 75   and name HG13))
  OR 
   (( segid "    " and resid 75   and name HG12))
  OR 
   (( segid "    " and resid 75   and name HG11))
 )
      2.500     0.800     0.800 peak  1544 weight  0.10000E+01 volume  0.17940E+01 ppm1      4.293 ppm2      0.556
 ASSI (
   (( segid "    " and resid 6    and name HB3 ))
  OR 
   (( segid "    " and resid 6    and name HB2 ))
 )(
   (( segid "    " and resid 6    and name HA  ))
 )
      2.300     0.700     0.700 peak  1552 weight  0.10000E+01 volume  0.17320E+01 ppm1      4.018 ppm2      4.223
 ASSI (
   (( segid "    " and resid 99   and name HA  ))
 )(
   (( segid "    " and resid 100  and name HD3 ))
  OR 
   (( segid "    " and resid 99   and name HB  ))
 )
      2.300     0.700     0.700 peak  1557 weight  0.10000E+01 volume  0.16880E+01 ppm1      3.964 ppm2      1.627
 ASSI (
   (( segid "    " and resid 99   and name HA  ))
 )(
   (( segid "    " and resid 99   and name HG23))
  OR 
   (( segid "    " and resid 99   and name HG22))
  OR 
   (( segid "    " and resid 99   and name HG21))
 )
      2.600     0.800     0.800 peak  1559 weight  0.10000E+01 volume  0.16070E+01 ppm1      3.965 ppm2      0.810
 ASSI (
   (( segid "    " and resid 51   and name HA  ))
 )(
   (( segid "    " and resid 82   and name HB2 ))
  OR 
   (( segid "    " and resid 81   and name HB3 ))
  OR 
   (( segid "    " and resid 50   and name HB3 ))
  OR 
   (( segid "    " and resid 50   and name HB2 ))
 )
      2.600     0.800     0.800 peak  1566 weight  0.10000E+01 volume  0.71700E+00 ppm1      3.808 ppm2      1.988
 ASSI (
   (( segid "    " and resid 51   and name HA  ))
 )(
   (( segid "    " and resid 82   and name HD2 ))
  OR 
   (( segid "    " and resid 81   and name HB2 ))
  OR 
   (( segid "    " and resid 51   and name HB  ))
 )
      2.200     0.600     0.600 peak  1567 weight  0.10000E+01 volume  0.21390E+01 ppm1      3.810 ppm2      1.731
 ASSI (
   (( segid "    " and resid 51   and name HA  ))
 )(
   (( segid "    " and resid 82   and name HG3 ))
  OR 
   (( segid "    " and resid 82   and name HG2 ))
  OR 
   (( segid "    " and resid 82   and name HB3 ))
  OR 
   (( segid "    " and resid 51   and name HG13))
 )
      2.300     0.700     0.700 peak  1568 weight  0.10000E+01 volume  0.19000E+01 ppm1      3.812 ppm2      1.506
 ASSI (
   (( segid "    " and resid 51   and name HA  ))
 )(
   (( segid "    " and resid 51   and name HD13))
  OR 
   (( segid "    " and resid 51   and name HD12))
  OR 
   (( segid "    " and resid 51   and name HD11))
 )
      2.800     1.000     1.000 peak  1570 weight  0.10000E+01 volume  0.94100E+00 ppm1      3.808 ppm2      0.739
 ASSI (
   (( segid "    " and resid 51   and name HA  ))
 )(
   (( segid "    " and resid 51   and name HG23))
  OR 
   (( segid "    " and resid 51   and name HG22))
  OR 
   (( segid "    " and resid 51   and name HG21))
 )
      2.700     0.900     0.900 peak  1571 weight  0.10000E+01 volume  0.11650E+01 ppm1      3.813 ppm2      0.294
 ASSI (
   (( segid "    " and resid 112  and name HA  ))
 )(
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
 )
      2.500     0.800     0.800 peak  1575 weight  0.10000E+01 volume  0.21240E+01 ppm1      3.753 ppm2      0.848
 ASSI (
   (( segid "    " and resid 112  and name HA  ))
 )(
   (( segid "    " and resid 17   and name H   ))
  OR 
   (( segid "    " and resid 16   and name H   ))
 )
      2.800     1.000     1.000 peak  1576 weight  0.10000E+01 volume  0.55300E+00 ppm1      3.749 ppm2      8.839
 ASSI (
   (( segid "    " and resid 55   and name HA  ))
 )(
   (( segid "    " and resid 55   and name HG23))
  OR 
   (( segid "    " and resid 55   and name HG22))
  OR 
   (( segid "    " and resid 55   and name HG21))
  OR 
   (( segid "    " and resid 55   and name HG13))
  OR 
   (( segid "    " and resid 55   and name HG12))
  OR 
   (( segid "    " and resid 55   and name HG11))
 )
      2.300     0.700     0.700 peak  1583 weight  0.10000E+01 volume  0.28340E+01 ppm1      4.263 ppm2      0.929
 ASSI (
   (( segid "    " and resid 55   and name HA  ))
 )(
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
  OR 
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
  OR 
   (( segid "    " and resid 54   and name HG13))
  OR 
   (( segid "    " and resid 54   and name HG12))
  OR 
   (( segid "    " and resid 54   and name HG11))
 )
      2.900     1.100     1.100 peak  1584 weight  0.10000E+01 volume  0.84300E+00 ppm1      4.264 ppm2      0.547
 ASSI (
   (( segid "    " and resid 24   and name HA  ))
 )(
   (( segid "    " and resid 90   and name HB2 ))
  OR 
   (( segid "    " and resid 77   and name HB2 ))
  OR 
   (( segid "    " and resid 76   and name HB  ))
  OR 
   (( segid "    " and resid 12   and name HD3 ))
  OR 
   (( segid "    " and resid 12   and name HD2 ))
  OR 
   (( segid "    " and resid 12   and name HB3 ))
  OR 
   (( segid "    " and resid 12   and name HB2 ))
 )
      3.500     1.500     1.500 peak  1589 weight  0.10000E+01 volume  0.14100E+00 ppm1      4.182 ppm2      1.738
 ASSI (
   (( segid "    " and resid 24   and name HA  ))
 )(
   (( segid "    " and resid 75   and name HG13))
  OR 
   (( segid "    " and resid 75   and name HG11))
  OR 
   (( segid "    " and resid 26   and name HB2 ))
  OR 
   (( segid "    " and resid 24   and name HD13))
  OR 
   (( segid "    " and resid 24   and name HD12))
  OR 
   (( segid "    " and resid 24   and name HD11))
 )
      3.400     1.400     1.400 peak  1591 weight  0.10000E+01 volume  0.28600E+00 ppm1      4.183 ppm2      0.521
 ASSI (
   (( segid "    " and resid 50   and name HA  ))
 )(
   (( segid "    " and resid 82   and name HE3 ))
  OR 
   (( segid "    " and resid 82   and name HE2 ))
 )
      2.900     1.100     1.100 peak  1595 weight  0.10000E+01 volume  0.41800E+00 ppm1      4.008 ppm2      2.977
 ASSI (
   (( segid "    " and resid 50   and name HA  ))
 )(
   (( segid "    " and resid 50   and name HB3 ))
  OR 
   (( segid "    " and resid 50   and name HB2 ))
 )
      2.100     0.600     0.600 peak  1597 weight  0.10000E+01 volume  0.28800E+01 ppm1      4.014 ppm2      2.010
 ASSI (
   (( segid "    " and resid 61   and name HA  ))
 )(
   (( segid "    " and resid 62   and name HG2 ))
  OR 
   (( segid "    " and resid 60   and name HG3 ))
  OR 
   (( segid "    " and resid 60   and name HG2 ))
 )
      2.800     1.000     1.000 peak  1604 weight  0.10000E+01 volume  0.48000E+00 ppm1      4.449 ppm2      1.996
 ASSI (
   (( segid "    " and resid 93   and name HA  ))
  OR 
   (( segid "    " and resid 14   and name HA  ))
 )(
   (( segid "    " and resid 94   and name HB3 ))
  OR 
   (( segid "    " and resid 14   and name HG23))
  OR 
   (( segid "    " and resid 14   and name HG22))
  OR 
   (( segid "    " and resid 14   and name HG21))
  OR 
   (( segid "    " and resid 14   and name HG13))
  OR 
   (( segid "    " and resid 14   and name HG12))
  OR 
   (( segid "    " and resid 14   and name HG11))
 )
      2.500     0.800     0.800 peak  1612 weight  0.10000E+01 volume  0.17910E+01 ppm1      4.560 ppm2      0.893
 ASSI (
   (( segid "    " and resid 93   and name HA  ))
 )(
   (( segid "    " and resid 94   and name H   ))
  OR 
   (( segid "    " and resid 93   and name H   ))
 )
      2.500     0.800     0.800 peak  1615 weight  0.10000E+01 volume  0.96400E+00 ppm1      4.559 ppm2      8.204
 ASSI (
   (( segid "    " and resid 37   and name HA  ))
 )(
   (( segid "    " and resid 58   and name HD2 ))
  OR 
   (( segid "    " and resid 58   and name HD1 ))
 )
      3.300     1.400     1.400 peak  1620 weight  0.10000E+01 volume  0.37600E+00 ppm1      4.559 ppm2      6.178
 ASSI (
   (( segid "    " and resid 37   and name HA  ))
 )(
   (( segid "    " and resid 37   and name HG23))
  OR 
   (( segid "    " and resid 37   and name HG22))
  OR 
   (( segid "    " and resid 37   and name HG21))
 )
      3.000     1.100     1.100 peak  1622 weight  0.10000E+01 volume  0.59400E+00 ppm1      4.570 ppm2      1.023
 ASSI (
   (( segid "    " and resid 37   and name HA  ))
 )(
   (( segid "    " and resid 47   and name HD23))
  OR 
   (( segid "    " and resid 47   and name HD22))
  OR 
   (( segid "    " and resid 47   and name HD21))
  OR 
   (( segid "    " and resid 47   and name HD13))
  OR 
   (( segid "    " and resid 47   and name HD12))
  OR 
   (( segid "    " and resid 47   and name HD11))
  OR 
   (( segid "    " and resid 42   and name HG13))
  OR 
   (( segid "    " and resid 42   and name HG12))
  OR 
   (( segid "    " and resid 42   and name HG11))
 )
      2.800     1.000     1.000 peak  1623 weight  0.10000E+01 volume  0.95100E+00 ppm1      4.566 ppm2      0.881
 ASSI (
   (( segid "    " and resid 48   and name HA  ))
 )(
   (( segid "    " and resid 54   and name H   ))
  OR 
   (( segid "    " and resid 53   and name H   ))
 )
      3.100     1.200     1.200 peak  1625 weight  0.10000E+01 volume  0.29100E+00 ppm1      4.572 ppm2      8.469
 ASSI (
   (( segid "    " and resid 59   and name HA  ))
 )(
   (( segid "    " and resid 59   and name HG23))
  OR 
   (( segid "    " and resid 59   and name HG22))
  OR 
   (( segid "    " and resid 59   and name HG21))
 )
      2.700     0.900     0.900 peak  1635 weight  0.10000E+01 volume  0.11350E+01 ppm1      4.453 ppm2      0.988
 ASSI (
   (( segid "    " and resid 59   and name HA  ))
 )(
   (( segid "    " and resid 60   and name HG3 ))
  OR 
   (( segid "    " and resid 60   and name HG2 ))
 )
      2.800     1.000     1.000 peak  1636 weight  0.10000E+01 volume  0.51800E+00 ppm1      4.444 ppm2      1.997
 ASSI (
   (( segid "    " and resid 41   and name HA  ))
 )(
   (( segid "    " and resid 44   and name HE3 ))
  OR 
   (( segid "    " and resid 44   and name HE2 ))
  OR 
   (( segid "    " and resid 41   and name HB2 ))
 )
      2.700     0.900     0.900 peak  1645 weight  0.10000E+01 volume  0.60000E+00 ppm1      4.505 ppm2      2.978
 ASSI (
   (( segid "    " and resid 41   and name HA  ))
 )(
   (( segid "    " and resid 47   and name HG  ))
  OR 
   (( segid "    " and resid 44   and name HD3 ))
  OR 
   (( segid "    " and resid 38   and name HB2 ))
 )
      2.900     1.100     1.100 peak  1646 weight  0.10000E+01 volume  0.39900E+00 ppm1      4.490 ppm2      1.656
 ASSI (
   (( segid "    " and resid 41   and name HA  ))
 )(
   (( segid "    " and resid 41   and name HD2 ))
  OR 
   (( segid "    " and resid 41   and name HD1 ))
 )
      3.000     1.100     1.100 peak  1648 weight  0.10000E+01 volume  0.65600E+00 ppm1      4.504 ppm2      7.265
 ASSI (
   (( segid "    " and resid 58   and name HA  ))
 )(
   (( segid "    " and resid 74   and name HA  ))
  OR 
   (( segid "    " and resid 57   and name HA  ))
 )
      2.600     0.800     0.800 peak  1650 weight  0.10000E+01 volume  0.11230E+01 ppm1      4.377 ppm2      4.871
 ASSI (
   (( segid "    " and resid 113  and name HA  ))
 )(
   (( segid "    " and resid 113  and name HG3 ))
  OR 
   (( segid "    " and resid 113  and name HG2 ))
 )
      2.400     0.700     0.700 peak  1661 weight  0.10000E+01 volume  0.13350E+01 ppm1      4.266 ppm2      1.327
 ASSI (
   (( segid "    " and resid 113  and name HA  ))
 )(
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 18   and name HG23))
  OR 
   (( segid "    " and resid 18   and name HG22))
  OR 
   (( segid "    " and resid 18   and name HG21))
  OR 
   (( segid "    " and resid 18   and name HG13))
 )
      3.200     1.300     1.300 peak  1663 weight  0.10000E+01 volume  0.40700E+00 ppm1      4.271 ppm2      0.811
 ASSI (
   (( segid "    " and resid 113  and name HA  ))
 )(
   (( segid "    " and resid 112  and name H   ))
  OR 
   (( segid "    " and resid 83   and name H   ))
  OR 
   (( segid "    " and resid 18   and name H   ))
 )
      3.900     1.900     1.900 peak  1666 weight  0.10000E+01 volume  0.73000E-01 ppm1      4.268 ppm2      8.730
 ASSI (
   (( segid "    " and resid 104  and name HA  ))
  OR 
   (( segid "    " and resid 102  and name HA  ))
 )(
   (( segid "    " and resid 103  and name H   ))
 )
      3.300     1.400     1.400 peak  1672 weight  0.10000E+01 volume  0.20300E+00 ppm1      4.223 ppm2      7.782
 ASSI (
   (( segid "    " and resid 104  and name HA  ))
 )(
   (( segid "    " and resid 105  and name HG3 ))
  OR 
   (( segid "    " and resid 105  and name HG2 ))
  OR 
   (( segid "    " and resid 105  and name HB2 ))
 )
      3.200     1.300     1.300 peak  1674 weight  0.10000E+01 volume  0.23700E+00 ppm1      4.186 ppm2      1.747
 ASSI (
   (( segid "    " and resid 104  and name HA  ))
 )(
   (( segid "    " and resid 104  and name HG3 ))
  OR 
   (( segid "    " and resid 104  and name HG2 ))
 )
      2.700     0.900     0.900 peak  1675 weight  0.10000E+01 volume  0.62500E+00 ppm1      4.187 ppm2      2.462
 ASSI (
   (( segid "    " and resid 102  and name HA  ))
 )(
   (( segid "    " and resid 102  and name HG3 ))
  OR 
   (( segid "    " and resid 102  and name HG2 ))
 )
      2.300     0.700     0.700 peak  1676 weight  0.10000E+01 volume  0.16630E+01 ppm1      4.222 ppm2      2.280
 ASSI (
   (( segid "    " and resid 104  and name HA  ))
  OR 
   (( segid "    " and resid 102  and name HA  ))
 )(
   (( segid "    " and resid 104  and name HB3 ))
  OR 
   (( segid "    " and resid 102  and name HB3 ))
  OR 
   (( segid "    " and resid 102  and name HB2 ))
 )
      2.000     0.500     0.500 peak  1677 weight  0.10000E+01 volume  0.39970E+01 ppm1      4.219 ppm2      2.070
 ASSI (
   (( segid "    " and resid 81   and name HA  ))
 )(
   (( segid "    " and resid 18   and name HG23))
  OR 
   (( segid "    " and resid 18   and name HG22))
  OR 
   (( segid "    " and resid 18   and name HG13))
  OR 
   (( segid "    " and resid 18   and name HG12))
  OR 
   (( segid "    " and resid 18   and name HG11))
 )
      2.700     0.900     0.900 peak  1678 weight  0.10000E+01 volume  0.12610E+01 ppm1      4.410 ppm2      0.813
 ASSI (
   (( segid "    " and resid 67   and name HA  ))
  OR 
   (( segid "    " and resid 1    and name HA  ))
 )(
   (( segid "    " and resid 67   and name H   ))
  OR 
   (( segid "    " and resid 3    and name H   ))
 )
      2.700     0.900     0.900 peak  1690 weight  0.10000E+01 volume  0.63500E+00 ppm1      4.457 ppm2      8.342
 ASSI (
   (( segid "    " and resid 47   and name HA  ))
 )(
   (( segid "    " and resid 47   and name HG  ))
  OR 
   (( segid "    " and resid 38   and name HB2 ))
 )
      2.400     0.700     0.700 peak  1695 weight  0.10000E+01 volume  0.13600E+01 ppm1      4.251 ppm2      1.644
 ASSI (
   (( segid "    " and resid 47   and name HA  ))
 )(
   (( segid "    " and resid 47   and name HB2 ))
  OR 
   (( segid "    " and resid 46   and name HG13))
 )
      2.200     0.600     0.600 peak  1697 weight  0.10000E+01 volume  0.20800E+01 ppm1      4.247 ppm2      1.056
 ASSI (
   (( segid "    " and resid 47   and name HA  ))
 )(
   (( segid "    " and resid 47   and name HD23))
  OR 
   (( segid "    " and resid 47   and name HD21))
  OR 
   (( segid "    " and resid 47   and name HD13))
  OR 
   (( segid "    " and resid 47   and name HD12))
  OR 
   (( segid "    " and resid 47   and name HD11))
 )
      2.400     0.700     0.700 peak  1698 weight  0.10000E+01 volume  0.26880E+01 ppm1      4.248 ppm2      0.884
 ASSI (
   (( segid "    " and resid 47   and name HA  ))
 )(
   (( segid "    " and resid 41   and name HD2 ))
  OR 
   (( segid "    " and resid 41   and name HD1 ))
 )
      2.800     1.000     1.000 peak  1701 weight  0.10000E+01 volume  0.85000E+00 ppm1      4.249 ppm2      7.245
 ASSI (
   (( segid "    " and resid 35   and name HA  ))
 )(
   (( segid "    " and resid 35   and name HG2 ))
  OR 
   (( segid "    " and resid 35   and name HB3 ))
 )
      2.400     0.700     0.700 peak  1710 weight  0.10000E+01 volume  0.14580E+01 ppm1      4.549 ppm2      2.154
 ASSI (
   (( segid "    " and resid 35   and name HA  ))
  OR 
   (( segid "    " and resid 20   and name HA  ))
 )(
   (( segid "    " and resid 35   and name HB2 ))
  OR 
   (( segid "    " and resid 20   and name HB2 ))
 )
      2.000     0.500     0.500 peak  1711 weight  0.10000E+01 volume  0.33250E+01 ppm1      4.542 ppm2      1.889
 ASSI (
   (( segid "    " and resid 20   and name HA  ))
 )(
   (( segid "    " and resid 20   and name HG3 ))
  OR 
   (( segid "    " and resid 20   and name HG2 ))
  OR 
   (( segid "    " and resid 20   and name HB3 ))
 )
      2.300     0.700     0.700 peak  1712 weight  0.10000E+01 volume  0.16400E+01 ppm1      4.536 ppm2      1.681
 ASSI (
   (( segid "    " and resid 53   and name HA  ))
 )(
   (( segid "    " and resid 53   and name HG3 ))
  OR 
   (( segid "    " and resid 53   and name HB2 ))
 )
      2.800     1.000     1.000 peak  1721 weight  0.10000E+01 volume  0.55900E+00 ppm1      4.556 ppm2      1.940
 ASSI (
   (( segid "    " and resid 53   and name HA  ))
 )(
   (( segid "    " and resid 53   and name HG2 ))
  OR 
   (( segid "    " and resid 53   and name HB3 ))
 )
      2.600     0.800     0.800 peak  1722 weight  0.10000E+01 volume  0.79800E+00 ppm1      4.549 ppm2      2.191
 ASSI (
   (( segid "    " and resid 53   and name HA  ))
 )(
   (( segid "    " and resid 54   and name H   ))
  OR 
   (( segid "    " and resid 53   and name H   ))
 )
      2.300     0.700     0.700 peak  1723 weight  0.10000E+01 volume  0.18850E+01 ppm1      4.542 ppm2      8.461
 ASSI (
   (( segid "    " and resid 100  and name HG3 ))
  OR 
   (( segid "    " and resid 100  and name HG2 ))
 )(
   (( segid "    " and resid 100  and name HE3 ))
  OR 
   (( segid "    " and resid 100  and name HE2 ))
 )
      2.500     0.800     0.800 peak  1727 weight  0.10000E+01 volume  0.67600E+00 ppm1      1.438 ppm2      2.833
 ASSI (
   (( segid "    " and resid 100  and name HG3 ))
  OR 
   (( segid "    " and resid 100  and name HG2 ))
 )(
   (( segid "    " and resid 100  and name HD3 ))
  OR 
   (( segid "    " and resid 100  and name HD2 ))
 )
      1.900     0.500     0.500 peak  1728 weight  0.10000E+01 volume  0.36650E+01 ppm1      1.437 ppm2      1.608
 ASSI (
   (( segid "    " and resid 100  and name HG3 ))
  OR 
   (( segid "    " and resid 100  and name HG2 ))
 )(
   (( segid "    " and resid 101  and name HD2 ))
 )
      3.000     1.100     1.100 peak  1729 weight  0.10000E+01 volume  0.23500E+00 ppm1      1.438 ppm2      3.809
 ASSI (
   (( segid "    " and resid 100  and name HG3 ))
  OR 
   (( segid "    " and resid 100  and name HG2 ))
 )(
   (( segid "    " and resid 100  and name HA  ))
 )
      2.700     0.900     0.900 peak  1730 weight  0.10000E+01 volume  0.69400E+00 ppm1      1.438 ppm2      4.875
 ASSI (
   (( segid "    " and resid 100  and name HG3 ))
  OR 
   (( segid "    " and resid 100  and name HG2 ))
 )(
   (( segid "    " and resid 103  and name HD22))
  OR 
   (( segid "    " and resid 103  and name H   ))
  OR 
   (( segid "    " and resid 100  and name H   ))
 )
      2.500     0.800     0.800 peak  1731 weight  0.10000E+01 volume  0.63200E+00 ppm1      1.442 ppm2      7.755
 ASSI (
   (( segid "    " and resid 57   and name HG3 ))
  OR 
   (( segid "    " and resid 57   and name HG2 ))
 )(
   (( segid "    " and resid 57   and name H   ))
 )
      2.600     0.800     0.800 peak  1732 weight  0.10000E+01 volume  0.49000E+00 ppm1      1.345 ppm2      9.034
 ASSI (
   (( segid "    " and resid 57   and name HG3 ))
  OR 
   (( segid "    " and resid 57   and name HG2 ))
 )(
   (( segid "    " and resid 57   and name HA  ))
 )
      2.800     1.000     1.000 peak  1733 weight  0.10000E+01 volume  0.49400E+00 ppm1      1.343 ppm2      4.865
 ASSI (
   (( segid "    " and resid 57   and name HG3 ))
  OR 
   (( segid "    " and resid 57   and name HG2 ))
 )(
   (( segid "    " and resid 57   and name HE3 ))
  OR 
   (( segid "    " and resid 57   and name HE2 ))
 )
      2.500     0.800     0.800 peak  1734 weight  0.10000E+01 volume  0.63800E+00 ppm1      1.343 ppm2      2.873
 ASSI (
   (( segid "    " and resid 57   and name HG3 ))
  OR 
   (( segid "    " and resid 57   and name HG2 ))
 )(
   (( segid "    " and resid 57   and name HB2 ))
 )
      2.100     0.600     0.600 peak  1735 weight  0.10000E+01 volume  0.20870E+01 ppm1      1.344 ppm2      1.791
 ASSI (
   (( segid "    " and resid 57   and name HG3 ))
  OR 
   (( segid "    " and resid 57   and name HG2 ))
 )(
   (( segid "    " and resid 57   and name HD3 ))
  OR 
   (( segid "    " and resid 57   and name HD2 ))
 )
      1.900     0.500     0.500 peak  1736 weight  0.10000E+01 volume  0.34270E+01 ppm1      1.343 ppm2      1.631
 ASSI (
   (( segid "    " and resid 57   and name HG3 ))
  OR 
   (( segid "    " and resid 57   and name HG2 ))
 )(
   (( segid "    " and resid 55   and name HG23))
  OR 
   (( segid "    " and resid 55   and name HG22))
  OR 
   (( segid "    " and resid 55   and name HG21))
  OR 
   (( segid "    " and resid 55   and name HG13))
  OR 
   (( segid "    " and resid 55   and name HG12))
  OR 
   (( segid "    " and resid 55   and name HG11))
 )
      2.500     0.800     0.800 peak  1738 weight  0.10000E+01 volume  0.13460E+01 ppm1      1.344 ppm2      0.962
 ASSI (
   (( segid "    " and resid 57   and name HG3 ))
  OR 
   (( segid "    " and resid 57   and name HG2 ))
 )(
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
  OR 
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
  OR 
   (( segid "    " and resid 75   and name HG13))
  OR 
   (( segid "    " and resid 75   and name HG12))
  OR 
   (( segid "    " and resid 75   and name HG11))
 )
      3.200     1.300     1.300 peak  1739 weight  0.10000E+01 volume  0.30000E+00 ppm1      1.336 ppm2      0.559
 ASSI (
   (( segid "    " and resid 12   and name HG2 ))
 )(
   (( segid "    " and resid 12   and name HD3 ))
  OR 
   (( segid "    " and resid 12   and name HD2 ))
 )
      2.000     0.500     0.500 peak  1740 weight  0.10000E+01 volume  0.22230E+01 ppm1      1.226 ppm2      1.670
 ASSI (
   (( segid "    " and resid 12   and name HG2 ))
 )(
   (( segid "    " and resid 12   and name HE3 ))
  OR 
   (( segid "    " and resid 12   and name HE2 ))
 )
      2.800     1.000     1.000 peak  1742 weight  0.10000E+01 volume  0.36000E+00 ppm1      1.218 ppm2      2.933
 ASSI (
   (( segid "    " and resid 82   and name HG3 ))
  OR 
   (( segid "    " and resid 82   and name HG2 ))
 )(
   (( segid "    " and resid 83   and name H   ))
 )
      3.000     1.100     1.100 peak  1747 weight  0.10000E+01 volume  0.22100E+00 ppm1      1.513 ppm2      8.711
 ASSI (
   (( segid "    " and resid 82   and name HG3 ))
  OR 
   (( segid "    " and resid 82   and name HG2 ))
 )(
   (( segid "    " and resid 82   and name HA  ))
 )
      2.500     0.800     0.800 peak  1748 weight  0.10000E+01 volume  0.98300E+00 ppm1      1.511 ppm2      4.709
 ASSI (
   (( segid "    " and resid 82   and name HG3 ))
  OR 
   (( segid "    " and resid 82   and name HG2 ))
 )(
   (( segid "    " and resid 51   and name HA  ))
 )
      2.500     0.800     0.800 peak  1749 weight  0.10000E+01 volume  0.94400E+00 ppm1      1.515 ppm2      3.804
 ASSI (
   (( segid "    " and resid 82   and name HG3 ))
  OR 
   (( segid "    " and resid 82   and name HG2 ))
 )(
   (( segid "    " and resid 82   and name HE3 ))
  OR 
   (( segid "    " and resid 82   and name HE2 ))
 )
      2.400     0.700     0.700 peak  1750 weight  0.10000E+01 volume  0.94400E+00 ppm1      1.511 ppm2      2.953
 ASSI (
   (( segid "    " and resid 82   and name HG3 ))
  OR 
   (( segid "    " and resid 82   and name HG2 ))
 )(
   (( segid "    " and resid 82   and name HB2 ))
 )
      2.000     0.500     0.500 peak  1751 weight  0.10000E+01 volume  0.26700E+01 ppm1      1.513 ppm2      1.958
 ASSI (
   (( segid "    " and resid 82   and name HG3 ))
  OR 
   (( segid "    " and resid 82   and name HG2 ))
 )(
   (( segid "    " and resid 51   and name HG23))
  OR 
   (( segid "    " and resid 51   and name HG22))
  OR 
   (( segid "    " and resid 51   and name HG21))
 )
      2.900     1.100     1.100 peak  1753 weight  0.10000E+01 volume  0.53800E+00 ppm1      1.512 ppm2      0.299
 ASSI (
   (( segid "    " and resid 82   and name HG3 ))
  OR 
   (( segid "    " and resid 82   and name HG2 ))
 )(
   (( segid "    " and resid 51   and name HD13))
  OR 
   (( segid "    " and resid 51   and name HD12))
  OR 
   (( segid "    " and resid 51   and name HD11))
  OR 
   (( segid "    " and resid 18   and name HG13))
  OR 
   (( segid "    " and resid 18   and name HG12))
  OR 
   (( segid "    " and resid 18   and name HG11))
 )
      2.600     0.800     0.800 peak  1754 weight  0.10000E+01 volume  0.10750E+01 ppm1      1.512 ppm2      0.768
 ASSI (
   (( segid "    " and resid 44   and name HG3 ))
  OR 
   (( segid "    " and resid 20   and name HD3 ))
 )(
   (( segid "    " and resid 46   and name H   ))
  OR 
   (( segid "    " and resid 20   and name H   ))
 )
      3.000     1.100     1.100 peak  1756 weight  0.10000E+01 volume  0.23300E+00 ppm1      1.453 ppm2      7.612
 ASSI (
   (( segid "    " and resid 44   and name HG3 ))
  OR 
   (( segid "    " and resid 20   and name HD3 ))
 )(
   (( segid "    " and resid 41   and name HD2 ))
  OR 
   (( segid "    " and resid 41   and name HD1 ))
  OR 
   (( segid "    " and resid 17   and name HD2 ))
 )
      3.400     1.400     1.400 peak  1757 weight  0.10000E+01 volume  0.20800E+00 ppm1      1.449 ppm2      7.251
 ASSI (
   (( segid "    " and resid 27   and name HG3 ))
 )(
   (( segid "    " and resid 27   and name HD3 ))
  OR 
   (( segid "    " and resid 27   and name HD2 ))
 )
      1.900     0.500     0.500 peak  1761 weight  0.10000E+01 volume  0.38110E+01 ppm1      1.571 ppm2      1.735
 ASSI (
   (( segid "    " and resid 27   and name HG3 ))
 )(
   (( segid "    " and resid 27   and name HE3 ))
  OR 
   (( segid "    " and resid 27   and name HE2 ))
 )
      3.100     1.200     1.200 peak  1762 weight  0.10000E+01 volume  0.19700E+00 ppm1      1.571 ppm2      3.006
 ASSI (
   (( segid "    " and resid 105  and name HG2 ))
 )(
   (( segid "    " and resid 106  and name H   ))
  OR 
   (( segid "    " and resid 105  and name H   ))
 )
      2.800     1.000     1.000 peak  1763 weight  0.10000E+01 volume  0.30800E+00 ppm1      1.713 ppm2      8.489
 ASSI (
   (( segid "    " and resid 83   and name HG2 ))
  OR 
   (( segid "    " and resid 27   and name HD3 ))
  OR 
   (( segid "    " and resid 27   and name HD2 ))
 )(
   (( segid "    " and resid 83   and name H   ))
  OR 
   (( segid "    " and resid 27   and name H   ))
 )
      2.300     0.700     0.700 peak  1765 weight  0.10000E+01 volume  0.99500E+00 ppm1      1.729 ppm2      8.715
 ASSI (
   (( segid "    " and resid 105  and name HG3 ))
  OR 
   (( segid "    " and resid 105  and name HG2 ))
 )(
   (( segid "    " and resid 105  and name HE  ))
 )
      2.900     1.100     1.100 peak  1766 weight  0.10000E+01 volume  0.24700E+00 ppm1      1.718 ppm2      7.195
 ASSI (
   (( segid "    " and resid 44   and name HG2 ))
  OR 
   (( segid "    " and resid 20   and name HD2 ))
 )(
   (( segid "    " and resid 46   and name H   ))
  OR 
   (( segid "    " and resid 20   and name H   ))
 )
      2.700     0.900     0.900 peak  1768 weight  0.10000E+01 volume  0.39200E+00 ppm1      1.292 ppm2      7.616
 ASSI (
   (( segid "    " and resid 113  and name HG2 ))
  OR 
   (( segid "    " and resid 20   and name HD2 ))
 )(
   (( segid "    " and resid 113  and name H   ))
  OR 
   (( segid "    " and resid 19   and name H   ))
 )
      2.700     0.900     0.900 peak  1771 weight  0.10000E+01 volume  0.39100E+00 ppm1      1.314 ppm2      8.351
 ASSI (
   (( segid "    " and resid 113  and name HG2 ))
  OR 
   (( segid "    " and resid 44   and name HG2 ))
  OR 
   (( segid "    " and resid 20   and name HD2 ))
 )(
   (( segid "    " and resid 43   and name H   ))
  OR 
   (( segid "    " and resid 17   and name H   ))
  OR 
   (( segid "    " and resid 16   and name H   ))
 )
      2.700     0.900     0.900 peak  1772 weight  0.10000E+01 volume  0.41200E+00 ppm1      1.301 ppm2      8.842
 ASSI (
   (( segid "    " and resid 88   and name HB3 ))
 )(
   (( segid "    " and resid 88   and name HD23))
  OR 
   (( segid "    " and resid 88   and name HD22))
  OR 
   (( segid "    " and resid 88   and name HD21))
  OR 
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
  OR 
   (( segid "    " and resid 78   and name HG12))
 )
      2.200     0.600     0.600 peak  1777 weight  0.10000E+01 volume  0.31300E+01 ppm1      0.997 ppm2      0.760
 ASSI (
   (( segid "    " and resid 88   and name HB2 ))
 )(
   (( segid "    " and resid 88   and name HD23))
  OR 
   (( segid "    " and resid 88   and name HD22))
  OR 
   (( segid "    " and resid 88   and name HD21))
  OR 
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
  OR 
   (( segid "    " and resid 78   and name HG13))
  OR 
   (( segid "    " and resid 78   and name HG12))
  OR 
   (( segid "    " and resid 78   and name HG11))
 )
      2.300     0.700     0.700 peak  1782 weight  0.10000E+01 volume  0.18960E+01 ppm1      1.989 ppm2      0.762
 ASSI (
   (( segid "    " and resid 110  and name HB2 ))
 )(
   (( segid "    " and resid 111  and name H   ))
  OR 
   (( segid "    " and resid 110  and name H   ))
 )
      2.600     0.800     0.800 peak  1786 weight  0.10000E+01 volume  0.54000E+00 ppm1      1.671 ppm2      9.099
 ASSI (
   (( segid "    " and resid 110  and name HB3 ))
 )(
   (( segid "    " and resid 111  and name H   ))
  OR 
   (( segid "    " and resid 110  and name H   ))
 )
      2.600     0.800     0.800 peak  1787 weight  0.10000E+01 volume  0.50300E+00 ppm1      1.192 ppm2      9.100
 ASSI (
   (( segid "    " and resid 110  and name HB2 ))
 )(
   (( segid "    " and resid 112  and name HG23))
  OR 
   (( segid "    " and resid 112  and name HG22))
  OR 
   (( segid "    " and resid 112  and name HG21))
 )
      2.700     0.900     0.900 peak  1794 weight  0.10000E+01 volume  0.82300E+00 ppm1      1.671 ppm2      0.880
 ASSI (
   (( segid "    " and resid 110  and name HB3 ))
 )(
   (( segid "    " and resid 112  and name HG23))
  OR 
   (( segid "    " and resid 112  and name HG22))
  OR 
   (( segid "    " and resid 112  and name HG21))
  OR 
   (( segid "    " and resid 108  and name HD23))
 )
      2.500     0.800     0.800 peak  1796 weight  0.10000E+01 volume  0.11730E+01 ppm1      1.192 ppm2      0.881
 ASSI (
   (( segid "    " and resid 90   and name HB2 ))
 )(
   (( segid "    " and resid 90   and name HD23))
  OR 
   (( segid "    " and resid 90   and name HD22))
  OR 
   (( segid "    " and resid 90   and name HD21))
 )
      2.800     1.000     1.000 peak  1800 weight  0.10000E+01 volume  0.60400E+00 ppm1      1.757 ppm2      0.677
 ASSI (
   (( segid "    " and resid 90   and name HB2 ))
 )(
   (( segid "    " and resid 90   and name HD13))
  OR 
   (( segid "    " and resid 90   and name HD12))
  OR 
   (( segid "    " and resid 90   and name HD11))
 )
      2.600     0.800     0.800 peak  1801 weight  0.10000E+01 volume  0.11060E+01 ppm1      1.756 ppm2      0.561
 ASSI (
   (( segid "    " and resid 90   and name HB3 ))
 )(
   (( segid "    " and resid 90   and name HD13))
  OR 
   (( segid "    " and resid 90   and name HD12))
  OR 
   (( segid "    " and resid 90   and name HD11))
 )
      2.500     0.800     0.800 peak  1802 weight  0.10000E+01 volume  0.14250E+01 ppm1      2.257 ppm2      0.559
 ASSI (
   (( segid "    " and resid 90   and name HB2 ))
 )(
   (( segid "    " and resid 91   and name HA  ))
  OR 
   (( segid "    " and resid 38   and name HA  ))
  OR 
   (( segid "    " and resid 36   and name HA  ))
 )
      3.600     1.600     1.600 peak  1807 weight  0.10000E+01 volume  0.11200E+00 ppm1      1.765 ppm2      5.176
 ASSI (
   (( segid "    " and resid 38   and name HD3 ))
 )(
   (( segid "    " and resid 47   and name HG  ))
  OR 
   (( segid "    " and resid 38   and name HB2 ))
 )
      2.600     0.800     0.800 peak  1821 weight  0.10000E+01 volume  0.47600E+00 ppm1      2.357 ppm2      1.654
 ASSI (
   (( segid "    " and resid 38   and name HD2 ))
 )(
   (( segid "    " and resid 108  and name HD13))
  OR 
   (( segid "    " and resid 108  and name HD12))
  OR 
   (( segid "    " and resid 108  and name HD11))
  OR 
   (( segid "    " and resid 78   and name HG23))
  OR 
   (( segid "    " and resid 78   and name HG22))
  OR 
   (( segid "    " and resid 78   and name HG21))
 )
      3.000     1.100     1.100 peak  1825 weight  0.10000E+01 volume  0.42400E+00 ppm1      2.415 ppm2      0.827
 ASSI (
   (( segid "    " and resid 38   and name HD3 ))
 )(
   (( segid "    " and resid 108  and name HD13))
  OR 
   (( segid "    " and resid 108  and name HD12))
  OR 
   (( segid "    " and resid 108  and name HD11))
  OR 
   (( segid "    " and resid 78   and name HG23))
  OR 
   (( segid "    " and resid 78   and name HG22))
  OR 
   (( segid "    " and resid 78   and name HG21))
 )
      3.100     1.200     1.200 peak  1826 weight  0.10000E+01 volume  0.36600E+00 ppm1      2.353 ppm2      0.809
 ASSI (
   (( segid "    " and resid 38   and name HD2 ))
 )(
   (( segid "    " and resid 90   and name HD13))
  OR 
   (( segid "    " and resid 90   and name HD12))
  OR 
   (( segid "    " and resid 90   and name HD11))
  OR 
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG11))
  OR 
   (( segid "    " and resid 54   and name HG23))
  OR 
   (( segid "    " and resid 54   and name HG22))
  OR 
   (( segid "    " and resid 54   and name HG21))
 )
      2.800     1.000     1.000 peak  1828 weight  0.10000E+01 volume  0.65100E+00 ppm1      2.414 ppm2      0.586
 ASSI (
   (( segid "    " and resid 38   and name HD3 ))
 )(
   (( segid "    " and resid 90   and name HD13))
  OR 
   (( segid "    " and resid 90   and name HD12))
  OR 
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
  OR 
   (( segid "    " and resid 54   and name HG13))
  OR 
   (( segid "    " and resid 54   and name HG12))
  OR 
   (( segid "    " and resid 54   and name HG11))
 )
      2.900     1.100     1.100 peak  1830 weight  0.10000E+01 volume  0.51800E+00 ppm1      2.359 ppm2      0.565
 ASSI (
   (( segid "    " and resid 38   and name HD3 ))
 )(
   (( segid "    " and resid 41   and name HD2 ))
  OR 
   (( segid "    " and resid 41   and name HD1 ))
 )
      3.100     1.200     1.200 peak  1835 weight  0.10000E+01 volume  0.33400E+00 ppm1      2.341 ppm2      7.271
 ASSI (
   (( segid "    " and resid 38   and name HD2 ))
 )(
   (( segid "    " and resid 106  and name HD2 ))
  OR 
   (( segid "    " and resid 48   and name H   ))
 )
      3.200     1.300     1.300 peak  1836 weight  0.10000E+01 volume  0.15100E+00 ppm1      2.426 ppm2      6.738
 ASSI (
   (( segid "    " and resid 38   and name HD3 ))
 )(
   (( segid "    " and resid 106  and name HD2 ))
  OR 
   (( segid "    " and resid 48   and name H   ))
 )
      3.100     1.200     1.200 peak  1837 weight  0.10000E+01 volume  0.17400E+00 ppm1      2.362 ppm2      6.717
 ASSI (
   (( segid "    " and resid 94   and name HD3 ))
 )(
   (( segid "    " and resid 34   and name HE2 ))
  OR 
   (( segid "    " and resid 34   and name HE1 ))
 )
      3.000     1.100     1.100 peak  1850 weight  0.10000E+01 volume  0.43400E+00 ppm1      2.694 ppm2      6.621
 ASSI (
   (( segid "    " and resid 94   and name HD2 ))
 )(
   (( segid "    " and resid 34   and name HE2 ))
  OR 
   (( segid "    " and resid 34   and name HE1 ))
 )
      2.900     1.100     1.100 peak  1851 weight  0.10000E+01 volume  0.46000E+00 ppm1      2.572 ppm2      6.613
 ASSI (
   (( segid "    " and resid 11   and name HB3 ))
  OR 
   (( segid "    " and resid 11   and name HB2 ))
 )(
   (( segid "    " and resid 11   and name HA  ))
 )
      2.800     1.000     1.000 peak  1853 weight  0.10000E+01 volume  0.55600E+00 ppm1      2.498 ppm2      4.926
 ASSI (
   (( segid "    " and resid 11   and name HB3 ))
  OR 
   (( segid "    " and resid 11   and name HB2 ))
 )(
   (( segid "    " and resid 109  and name HD2 ))
 )
      3.400     1.400     1.400 peak  1856 weight  0.10000E+01 volume  0.18100E+00 ppm1      2.494 ppm2      5.982
 ASSI (
   (( segid "    " and resid 11   and name HB3 ))
  OR 
   (( segid "    " and resid 11   and name HB2 ))
 )(
   (( segid "    " and resid 107  and name H   ))
  OR 
   (( segid "    " and resid 11   and name H   ))
 )
      2.600     0.800     0.800 peak  1858 weight  0.10000E+01 volume  0.56000E+00 ppm1      2.496 ppm2      7.947
 ASSI (
   (( segid "    " and resid 11   and name HB3 ))
 )(
   (( segid "    " and resid 107  and name H   ))
  OR 
   (( segid "    " and resid 11   and name H   ))
 )
      2.500     0.800     0.800 peak  1859 weight  0.10000E+01 volume  0.59400E+00 ppm1      2.438 ppm2      7.950
 ASSI (
   (( segid "    " and resid 106  and name HB3 ))
 )(
   (( segid "    " and resid 106  and name HD2 ))
  OR 
   (( segid "    " and resid 106  and name HD1 ))
 )
      2.200     0.600     0.600 peak  1865 weight  0.10000E+01 volume  0.27320E+01 ppm1      2.538 ppm2      6.711
 ASSI (
   (( segid "    " and resid 106  and name HB2 ))
 )(
   (( segid "    " and resid 106  and name HE2 ))
  OR 
   (( segid "    " and resid 106  and name HE1 ))
 )
      3.600     1.600     1.600 peak  1866 weight  0.10000E+01 volume  0.13800E+00 ppm1      2.685 ppm2      6.525
 ASSI (
   (( segid "    " and resid 106  and name HB3 ))
 )(
   (( segid "    " and resid 106  and name HE2 ))
  OR 
   (( segid "    " and resid 106  and name HE1 ))
 )
      3.400     1.400     1.400 peak  1867 weight  0.10000E+01 volume  0.18100E+00 ppm1      2.543 ppm2      6.522
 ASSI (
   (( segid "    " and resid 106  and name HB3 ))
  OR 
   (( segid "    " and resid 11   and name HB2 ))
 )(
   (( segid "    " and resid 106  and name HA  ))
  OR 
   (( segid "    " and resid 12   and name HA  ))
 )
      3.100     1.200     1.200 peak  1868 weight  0.10000E+01 volume  0.28900E+00 ppm1      2.522 ppm2      4.709
 ASSI (
   (( segid "    " and resid 106  and name HB2 ))
 )(
   (( segid "    " and resid 92   and name HB2 ))
  OR 
   (( segid "    " and resid 90   and name HB3 ))
 )
      3.000     1.100     1.100 peak  1872 weight  0.10000E+01 volume  0.20100E+00 ppm1      2.696 ppm2      2.226
 ASSI (
   (( segid "    " and resid 106  and name HB3 ))
 )(
   (( segid "    " and resid 105  and name HG3 ))
  OR 
   (( segid "    " and resid 105  and name HB2 ))
  OR 
   (( segid "    " and resid 90   and name HB2 ))
 )
      3.100     1.200     1.200 peak  1873 weight  0.10000E+01 volume  0.16700E+00 ppm1      2.562 ppm2      1.757
 ASSI (
   (( segid "    " and resid 106  and name HB2 ))
 )(
   (( segid "    " and resid 105  and name HG3 ))
  OR 
   (( segid "    " and resid 105  and name HG2 ))
  OR 
   (( segid "    " and resid 105  and name HB2 ))
  OR 
   (( segid "    " and resid 90   and name HB2 ))
  OR 
   (( segid "    " and resid 12   and name HB3 ))
  OR 
   (( segid "    " and resid 12   and name HB2 ))
 )
      3.400     1.400     1.400 peak  1874 weight  0.10000E+01 volume  0.11000E+00 ppm1      2.668 ppm2      1.734
 ASSI (
   (( segid "    " and resid 106  and name HB3 ))
 )(
   (( segid "    " and resid 90   and name HD13))
  OR 
   (( segid "    " and resid 90   and name HD12))
  OR 
   (( segid "    " and resid 90   and name HD11))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
 )
      3.300     1.400     1.400 peak  1875 weight  0.10000E+01 volume  0.26200E+00 ppm1      2.532 ppm2      0.563
 ASSI (
   (( segid "    " and resid 106  and name HB2 ))
 )(
   (( segid "    " and resid 90   and name HD13))
  OR 
   (( segid "    " and resid 90   and name HD12))
  OR 
   (( segid "    " and resid 90   and name HD11))
  OR 
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
 )
      3.800     1.800     1.800 peak  1876 weight  0.10000E+01 volume  0.10100E+00 ppm1      2.663 ppm2      0.587
 ASSI (
   (( segid "    " and resid 106  and name HB2 ))
 )(
   (( segid "    " and resid 26   and name HD23))
  OR 
   (( segid "    " and resid 26   and name HD22))
  OR 
   (( segid "    " and resid 26   and name HD21))
 )
      3.400     1.400     1.400 peak  1878 weight  0.10000E+01 volume  0.20100E+00 ppm1      2.667 ppm2     -0.339
 ASSI (
   (( segid "    " and resid 106  and name HB2 ))
 )(
   (( segid "    " and resid 26   and name HD13))
  OR 
   (( segid "    " and resid 26   and name HD12))
  OR 
   (( segid "    " and resid 26   and name HD11))
 )
      3.600     1.600     1.600 peak  1880 weight  0.10000E+01 volume  0.13800E+00 ppm1      2.669 ppm2     -1.033
 ASSI (
   (( segid "    " and resid 106  and name HB3 ))
 )(
   (( segid "    " and resid 26   and name HD13))
  OR 
   (( segid "    " and resid 26   and name HD12))
  OR 
   (( segid "    " and resid 26   and name HD11))
 )
      3.400     1.400     1.400 peak  1881 weight  0.10000E+01 volume  0.19500E+00 ppm1      2.547 ppm2     -1.028
 ASSI (
   (( segid "    " and resid 44   and name HE3 ))
  OR 
   (( segid "    " and resid 44   and name HE2 ))
  OR 
   (( segid "    " and resid 27   and name HE3 ))
  OR 
   (( segid "    " and resid 27   and name HE2 ))
  OR 
   (( segid "    " and resid 20   and name HE3 ))
  OR 
   (( segid "    " and resid 20   and name HE2 ))
 )(
   (( segid "    " and resid 74   and name HD2 ))
  OR 
   (( segid "    " and resid 41   and name HD2 ))
  OR 
   (( segid "    " and resid 41   and name HD1 ))
  OR 
   (( segid "    " and resid 17   and name HD2 ))
 )
      3.600     1.600     1.600 peak  1886 weight  0.10000E+01 volume  0.14400E+00 ppm1      3.009 ppm2      7.229
 ASSI (
   (( segid "    " and resid 83   and name HD3 ))
  OR 
   (( segid "    " and resid 83   and name HD2 ))
 )(
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 18   and name HG23))
  OR 
   (( segid "    " and resid 18   and name HG22))
  OR 
   (( segid "    " and resid 18   and name HG21))
  OR 
   (( segid "    " and resid 18   and name HG13))
  OR 
   (( segid "    " and resid 18   and name HG12))
  OR 
   (( segid "    " and resid 18   and name HG11))
 )
      3.000     1.100     1.100 peak  1896 weight  0.10000E+01 volume  0.45400E+00 ppm1      3.227 ppm2      0.808
 ASSI (
   (( segid "    " and resid 83   and name HD3 ))
  OR 
   (( segid "    " and resid 83   and name HD2 ))
 )(
   (( segid "    " and resid 83   and name HB2 ))
 )
      2.200     0.600     0.600 peak  1897 weight  0.10000E+01 volume  0.16210E+01 ppm1      3.228 ppm2      1.846
 ASSI (
   (( segid "    " and resid 83   and name HD3 ))
  OR 
   (( segid "    " and resid 83   and name HD2 ))
 )(
   (( segid "    " and resid 83   and name HG2 ))
  OR 
   (( segid "    " and resid 83   and name HB3 ))
 )
      1.900     0.500     0.500 peak  1898 weight  0.10000E+01 volume  0.34260E+01 ppm1      3.227 ppm2      1.729
 ASSI (
   (( segid "    " and resid 83   and name HD3 ))
  OR 
   (( segid "    " and resid 83   and name HD2 ))
 )(
   (( segid "    " and resid 83   and name HG3 ))
 )
      2.200     0.600     0.600 peak  1899 weight  0.10000E+01 volume  0.14580E+01 ppm1      3.228 ppm2      1.505
 ASSI (
   (( segid "    " and resid 83   and name HD3 ))
  OR 
   (( segid "    " and resid 83   and name HD2 ))
 )(
   (( segid "    " and resid 83   and name HA  ))
 )
      3.200     1.300     1.300 peak  1900 weight  0.10000E+01 volume  0.24500E+00 ppm1      3.229 ppm2      3.920
 ASSI (
   (( segid "    " and resid 83   and name HD3 ))
  OR 
   (( segid "    " and resid 83   and name HD2 ))
 )(
   (( segid "    " and resid 83   and name HE  ))
 )
      2.700     0.900     0.900 peak  1902 weight  0.10000E+01 volume  0.46200E+00 ppm1      3.227 ppm2      7.349
 ASSI (
   (( segid "    " and resid 83   and name HD3 ))
  OR 
   (( segid "    " and resid 83   and name HD2 ))
 )(
   (( segid "    " and resid 83   and name H   ))
  OR 
   (( segid "    " and resid 18   and name H   ))
 )
      2.800     1.000     1.000 peak  1903 weight  0.10000E+01 volume  0.30700E+00 ppm1      3.229 ppm2      8.727
 ASSI (
   (( segid "    " and resid 105  and name HD3 ))
  OR 
   (( segid "    " and resid 105  and name HD2 ))
 )(
   (( segid "    " and resid 91   and name HG23))
  OR 
   (( segid "    " and resid 91   and name HG22))
  OR 
   (( segid "    " and resid 91   and name HG21))
  OR 
   (( segid "    " and resid 39   and name HG23))
  OR 
   (( segid "    " and resid 39   and name HG22))
  OR 
   (( segid "    " and resid 39   and name HG21))
 )
      2.600     0.800     0.800 peak  1905 weight  0.10000E+01 volume  0.10380E+01 ppm1      3.170 ppm2      0.899
 ASSI (
   (( segid "    " and resid 105  and name HD3 ))
  OR 
   (( segid "    " and resid 105  and name HD2 ))
 )(
   (( segid "    " and resid 105  and name HG3 ))
  OR 
   (( segid "    " and resid 105  and name HG2 ))
  OR 
   (( segid "    " and resid 105  and name HB2 ))
 )
      1.900     0.500     0.500 peak  1906 weight  0.10000E+01 volume  0.31700E+01 ppm1      3.168 ppm2      1.755
 ASSI (
   (( segid "    " and resid 105  and name HD3 ))
  OR 
   (( segid "    " and resid 105  and name HD2 ))
 )(
   (( segid "    " and resid 105  and name HB3 ))
 )
      2.400     0.700     0.700 peak  1907 weight  0.10000E+01 volume  0.85100E+00 ppm1      3.173 ppm2      2.120
 ASSI (
   (( segid "    " and resid 105  and name HD3 ))
  OR 
   (( segid "    " and resid 105  and name HD2 ))
 )(
   (( segid "    " and resid 91   and name HG13))
  OR 
   (( segid "    " and resid 91   and name HG12))
  OR 
   (( segid "    " and resid 91   and name HG11))
 )
      3.200     1.300     1.300 peak  1908 weight  0.10000E+01 volume  0.29800E+00 ppm1      3.150 ppm2      0.728
 ASSI (
   (( segid "    " and resid 105  and name HD3 ))
  OR 
   (( segid "    " and resid 105  and name HD2 ))
 )(
   (( segid "    " and resid 91   and name HA  ))
  OR 
   (( segid "    " and resid 38   and name HA  ))
 )
      3.100     1.200     1.200 peak  1910 weight  0.10000E+01 volume  0.29500E+00 ppm1      3.169 ppm2      5.187
 ASSI (
   (( segid "    " and resid 105  and name HD3 ))
  OR 
   (( segid "    " and resid 105  and name HD2 ))
 )(
   (( segid "    " and resid 105  and name HE  ))
 )
      2.200     0.600     0.600 peak  1912 weight  0.10000E+01 volume  0.16120E+01 ppm1      3.169 ppm2      7.178
 ASSI (
   (( segid "    " and resid 105  and name HD3 ))
  OR 
   (( segid "    " and resid 105  and name HD2 ))
 )(
   (( segid "    " and resid 106  and name H   ))
  OR 
   (( segid "    " and resid 105  and name H   ))
 )
      2.900     1.100     1.100 peak  1914 weight  0.10000E+01 volume  0.27000E+00 ppm1      3.166 ppm2      8.470
 ASSI (
   (( segid "    " and resid 81   and name HD2 ))
 )(
   (( segid "    " and resid 53   and name HG2 ))
  OR 
   (( segid "    " and resid 53   and name HB3 ))
 )
      2.800     1.000     1.000 peak  1915 weight  0.10000E+01 volume  0.30400E+00 ppm1      3.014 ppm2      2.189
 ASSI (
   (( segid "    " and resid 81   and name HD3 ))
 )(
   (( segid "    " and resid 81   and name HB3 ))
  OR 
   (( segid "    " and resid 53   and name HG3 ))
 )
      2.400     0.700     0.700 peak  1917 weight  0.10000E+01 volume  0.79900E+00 ppm1      3.096 ppm2      1.992
 ASSI (
   (( segid "    " and resid 81   and name HD2 ))
 )(
   (( segid "    " and resid 81   and name HB3 ))
  OR 
   (( segid "    " and resid 53   and name HG3 ))
 )
      2.300     0.700     0.700 peak  1918 weight  0.10000E+01 volume  0.11550E+01 ppm1      3.016 ppm2      1.998
 ASSI (
   (( segid "    " and resid 81   and name HD3 ))
 )(
   (( segid "    " and resid 81   and name HG3 ))
  OR 
   (( segid "    " and resid 81   and name HG2 ))
 )
      2.100     0.600     0.600 peak  1921 weight  0.10000E+01 volume  0.17160E+01 ppm1      3.096 ppm2      1.565
 ASSI (
   (( segid "    " and resid 74   and name HB3 ))
  OR 
   (( segid "    " and resid 58   and name HB3 ))
 )(
   (( segid "    " and resid 58   and name HA  ))
 )
      2.800     1.000     1.000 peak  1933 weight  0.10000E+01 volume  0.47700E+00 ppm1      2.443 ppm2      4.358
 ASSI (
   (( segid "    " and resid 74   and name HB3 ))
  OR 
   (( segid "    " and resid 58   and name HB3 ))
 )(
   (( segid "    " and resid 90   and name HD13))
  OR 
   (( segid "    " and resid 90   and name HD12))
  OR 
   (( segid "    " and resid 90   and name HD11))
  OR 
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
  OR 
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
  OR 
   (( segid "    " and resid 75   and name HG13))
  OR 
   (( segid "    " and resid 75   and name HG12))
  OR 
   (( segid "    " and resid 75   and name HG11))
 )
      3.000     1.100     1.100 peak  1940 weight  0.10000E+01 volume  0.45000E+00 ppm1      2.417 ppm2      0.556
 ASSI (
   (( segid "    " and resid 74   and name HB2 ))
 )(
   (( segid "    " and resid 26   and name HG  ))
  OR 
   (( segid "    " and resid 26   and name HB2 ))
 )
      2.500     0.800     0.800 peak  1941 weight  0.10000E+01 volume  0.63900E+00 ppm1      2.766 ppm2      0.473
 ASSI (
   (( segid "    " and resid 58   and name HB2 ))
 )(
   (( segid "    " and resid 58   and name HD2 ))
  OR 
   (( segid "    " and resid 58   and name HD1 ))
 )
      2.900     1.100     1.100 peak  1943 weight  0.10000E+01 volume  0.54600E+00 ppm1      2.605 ppm2      6.167
 ASSI (
   (( segid "    " and resid 58   and name HB3 ))
 )(
   (( segid "    " and resid 58   and name HD2 ))
  OR 
   (( segid "    " and resid 58   and name HD1 ))
 )
      2.800     1.000     1.000 peak  1944 weight  0.10000E+01 volume  0.59100E+00 ppm1      2.446 ppm2      6.171
 ASSI (
   (( segid "    " and resid 74   and name HB3 ))
 )(
   (( segid "    " and resid 74   and name HD2 ))
  OR 
   (( segid "    " and resid 74   and name HD1 ))
 )
      2.600     0.800     0.800 peak  1946 weight  0.10000E+01 volume  0.86800E+00 ppm1      2.427 ppm2      7.184
 ASSI (
   (( segid "    " and resid 10   and name HB3 ))
 )(
   (( segid "    " and resid 106  and name HB2 ))
  OR 
   (( segid "    " and resid 9    and name HB3 ))
 )
      2.400     0.700     0.700 peak  1955 weight  0.10000E+01 volume  0.75300E+00 ppm1      2.846 ppm2      2.688
 ASSI (
   (( segid "    " and resid 10   and name HB3 ))
 )(
   (( segid "    " and resid 107  and name H   ))
  OR 
   (( segid "    " and resid 11   and name H   ))
 )
      3.300     1.400     1.400 peak  1958 weight  0.10000E+01 volume  0.13300E+00 ppm1      2.860 ppm2      7.952
 ASSI (
   (( segid "    " and resid 10   and name HB2 ))
 )(
   (( segid "    " and resid 107  and name H   ))
  OR 
   (( segid "    " and resid 11   and name H   ))
 )
      3.200     1.300     1.300 peak  1959 weight  0.10000E+01 volume  0.15300E+00 ppm1      3.005 ppm2      7.980
 ASSI (
   (( segid "    " and resid 10   and name HB2 ))
 )(
   (( segid "    " and resid 106  and name HD2 ))
  OR 
   (( segid "    " and resid 106  and name HD1 ))
 )
      3.300     1.400     1.400 peak  1964 weight  0.10000E+01 volume  0.24200E+00 ppm1      3.005 ppm2      6.709
 ASSI (
   (( segid "    " and resid 41   and name HB3 ))
 )(
   (( segid "    " and resid 47   and name HD13))
  OR 
   (( segid "    " and resid 47   and name HD12))
  OR 
   (( segid "    " and resid 47   and name HD11))
 )
      2.500     0.800     0.800 peak  1970 weight  0.10000E+01 volume  0.13690E+01 ppm1      3.471 ppm2      0.878
 ASSI (
   (( segid "    " and resid 41   and name HB2 ))
 )(
   (( segid "    " and resid 47   and name HD13))
  OR 
   (( segid "    " and resid 47   and name HD12))
  OR 
   (( segid "    " and resid 47   and name HD11))
 )
      2.600     0.800     0.800 peak  1972 weight  0.10000E+01 volume  0.11110E+01 ppm1      2.972 ppm2      0.878
 ASSI (
   (( segid "    " and resid 41   and name HB3 ))
 )(
   (( segid "    " and resid 47   and name HG  ))
  OR 
   (( segid "    " and resid 44   and name HD3 ))
  OR 
   (( segid "    " and resid 38   and name HB2 ))
 )
      2.600     0.800     0.800 peak  1978 weight  0.10000E+01 volume  0.57800E+00 ppm1      3.474 ppm2      1.637
 ASSI (
   (( segid "    " and resid 41   and name HB3 ))
 )(
   (( segid "    " and resid 46   and name HB  ))
  OR 
   (( segid "    " and resid 44   and name HB2 ))
 )
      3.100     1.200     1.200 peak  1979 weight  0.10000E+01 volume  0.19800E+00 ppm1      3.472 ppm2      2.178
 ASSI (
   (( segid "    " and resid 41   and name HB2 ))
  OR 
   (( segid "    " and resid 29   and name HB2 ))
 )(
   (( segid "    " and resid 47   and name HA  ))
  OR 
   (( segid "    " and resid 28   and name HA3 ))
 )
      2.800     1.000     1.000 peak  1983 weight  0.10000E+01 volume  0.47000E+00 ppm1      2.968 ppm2      4.253
 ASSI (
   (( segid "    " and resid 41   and name HB3 ))
 )(
   (( segid "    " and resid 41   and name HD2 ))
  OR 
   (( segid "    " and resid 41   and name HD1 ))
 )
      2.300     0.700     0.700 peak  1989 weight  0.10000E+01 volume  0.20470E+01 ppm1      3.472 ppm2      7.254
 ASSI (
   (( segid "    " and resid 41   and name HB2 ))
  OR 
   (( segid "    " and resid 29   and name HB2 ))
 )(
   (( segid "    " and resid 42   and name H   ))
  OR 
   (( segid "    " and resid 29   and name HD21))
 )
      2.500     0.800     0.800 peak  1994 weight  0.10000E+01 volume  0.86100E+00 ppm1      2.985 ppm2      7.810
 ASSI (
   (( segid "    " and resid 103  and name HB3 ))
  OR 
   (( segid "    " and resid 29   and name HB2 ))
 )(
   (( segid "    " and resid 103  and name HD22))
  OR 
   (( segid "    " and resid 103  and name H   ))
  OR 
   (( segid "    " and resid 29   and name HD21))
 )
      2.300     0.700     0.700 peak  1995 weight  0.10000E+01 volume  0.15470E+01 ppm1      3.075 ppm2      7.783
 ASSI (
   (( segid "    " and resid 103  and name HB2 ))
 )(
   (( segid "    " and resid 103  and name HD22))
  OR 
   (( segid "    " and resid 103  and name H   ))
  OR 
   (( segid "    " and resid 100  and name H   ))
 )
      2.400     0.700     0.700 peak  2000 weight  0.10000E+01 volume  0.95700E+00 ppm1      2.583 ppm2      7.779
 ASSI (
   (( segid "    " and resid 79   and name HE3 ))
  OR 
   (( segid "    " and resid 79   and name HE2 ))
 )(
   (( segid "    " and resid 79   and name HG3 ))
  OR 
   (( segid "    " and resid 79   and name HG2 ))
  OR 
   (( segid "    " and resid 21   and name HG23))
  OR 
   (( segid "    " and resid 21   and name HG22))
 )
      2.300     0.700     0.700 peak  2005 weight  0.10000E+01 volume  0.12310E+01 ppm1      2.788 ppm2      1.012
 ASSI (
   (( segid "    " and resid 79   and name HE3 ))
  OR 
   (( segid "    " and resid 79   and name HE2 ))
 )(
   (( segid "    " and resid 79   and name HB2 ))
 )
      2.500     0.800     0.800 peak  2006 weight  0.10000E+01 volume  0.60200E+00 ppm1      2.788 ppm2      1.648
 ASSI (
   (( segid "    " and resid 79   and name HE3 ))
  OR 
   (( segid "    " and resid 79   and name HE2 ))
 )(
   (( segid "    " and resid 79   and name HD3 ))
  OR 
   (( segid "    " and resid 79   and name HD2 ))
 )
      1.900     0.500     0.500 peak  2007 weight  0.10000E+01 volume  0.30880E+01 ppm1      2.788 ppm2      1.508
 ASSI (
   (( segid "    " and resid 15   and name HB3 ))
  OR 
   (( segid "    " and resid 15   and name HB2 ))
 )(
   (( segid "    " and resid 15   and name H   ))
 )
      2.100     0.600     0.600 peak  2017 weight  0.10000E+01 volume  0.20460E+01 ppm1      2.664 ppm2      8.751
 ASSI (
   (( segid "    " and resid 113  and name HE3 ))
  OR 
   (( segid "    " and resid 113  and name HE2 ))
 )(
   (( segid "    " and resid 111  and name HD22))
 )
      3.200     1.300     1.300 peak  2026 weight  0.10000E+01 volume  0.21000E+00 ppm1      2.912 ppm2      6.687
 ASSI (
   (( segid "    " and resid 113  and name HE3 ))
  OR 
   (( segid "    " and resid 113  and name HE2 ))
 )(
   (( segid "    " and resid 111  and name HD21))
 )
      3.400     1.400     1.400 peak  2027 weight  0.10000E+01 volume  0.13600E+00 ppm1      2.922 ppm2      7.680
 ASSI (
   (( segid "    " and resid 100  and name HE3 ))
  OR 
   (( segid "    " and resid 100  and name HE2 ))
 )(
   (( segid "    " and resid 102  and name HB3 ))
  OR 
   (( segid "    " and resid 102  and name HB2 ))
  OR 
   (( segid "    " and resid 100  and name HB2 ))
 )
      2.400     0.700     0.700 peak  2028 weight  0.10000E+01 volume  0.78000E+00 ppm1      2.840 ppm2      2.071
 ASSI (
   (( segid "    " and resid 47   and name HB2 ))
 )(
   (( segid "    " and resid 56   and name HB2 ))
  OR 
   (( segid "    " and resid 38   and name HD3 ))
 )
      3.200     1.300     1.300 peak  2033 weight  0.10000E+01 volume  0.15800E+00 ppm1      1.078 ppm2      2.372
 ASSI (
   (( segid "    " and resid 47   and name HB2 ))
 )(
   (( segid "    " and resid 90   and name HD23))
  OR 
   (( segid "    " and resid 90   and name HD22))
  OR 
   (( segid "    " and resid 90   and name HD21))
  OR 
   (( segid "    " and resid 52   and name HD23))
  OR 
   (( segid "    " and resid 52   and name HD22))
  OR 
   (( segid "    " and resid 52   and name HD21))
 )
      3.500     1.500     1.500 peak  2035 weight  0.10000E+01 volume  0.16000E+00 ppm1      1.080 ppm2      0.684
 ASSI (
   (( segid "    " and resid 47   and name HB2 ))
 )(
   (( segid "    " and resid 47   and name HD23))
  OR 
   (( segid "    " and resid 47   and name HD22))
  OR 
   (( segid "    " and resid 47   and name HD21))
  OR 
   (( segid "    " and resid 47   and name HD13))
  OR 
   (( segid "    " and resid 47   and name HD12))
  OR 
   (( segid "    " and resid 47   and name HD11))
 )
      2.500     0.800     0.800 peak  2036 weight  0.10000E+01 volume  0.11880E+01 ppm1      1.077 ppm2      0.877
 ASSI (
   (( segid "    " and resid 47   and name HB2 ))
 )(
   (( segid "    " and resid 90   and name HD12))
  OR 
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
  OR 
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
  OR 
   (( segid "    " and resid 54   and name HG13))
  OR 
   (( segid "    " and resid 54   and name HG12))
  OR 
   (( segid "    " and resid 54   and name HG11))
 )
      3.100     1.200     1.200 peak  2037 weight  0.10000E+01 volume  0.33500E+00 ppm1      1.077 ppm2      0.541
 ASSI (
   (( segid "    " and resid 73   and name HB  ))
 )(
   (( segid "    " and resid 73   and name HG23))
  OR 
   (( segid "    " and resid 73   and name HG22))
  OR 
   (( segid "    " and resid 73   and name HG21))
 )
      2.400     0.700     0.700 peak  2038 weight  0.10000E+01 volume  0.17390E+01 ppm1      1.575 ppm2      0.660
 ASSI (
   (( segid "    " and resid 73   and name HB  ))
 )(
   (( segid "    " and resid 73   and name HD13))
  OR 
   (( segid "    " and resid 73   and name HD12))
  OR 
   (( segid "    " and resid 73   and name HD11))
 )
      2.700     0.900     0.900 peak  2039 weight  0.10000E+01 volume  0.78700E+00 ppm1      1.576 ppm2      0.495
 ASSI (
   (( segid "    " and resid 24   and name HB  ))
 )(
   (( segid "    " and resid 88   and name HD23))
  OR 
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
  OR 
   (( segid "    " and resid 78   and name HG13))
  OR 
   (( segid "    " and resid 78   and name HG12))
  OR 
   (( segid "    " and resid 78   and name HG11))
  OR 
   (( segid "    " and resid 77   and name HD22))
  OR 
   (( segid "    " and resid 77   and name HD13))
  OR 
   (( segid "    " and resid 77   and name HD12))
  OR 
   (( segid "    " and resid 77   and name HD11))
  OR 
   (( segid "    " and resid 75   and name HG23))
  OR 
   (( segid "    " and resid 75   and name HG22))
  OR 
   (( segid "    " and resid 75   and name HG21))
 )
      3.300     1.400     1.400 peak  2046 weight  0.10000E+01 volume  0.22600E+00 ppm1      1.373 ppm2      0.762
 ASSI (
   (( segid "    " and resid 24   and name HB  ))
 )(
   (( segid "    " and resid 90   and name HD12))
  OR 
   (( segid "    " and resid 90   and name HD11))
  OR 
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
  OR 
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 24   and name HD13))
  OR 
   (( segid "    " and resid 24   and name HD12))
  OR 
   (( segid "    " and resid 24   and name HD11))
 )
      2.200     0.600     0.600 peak  2047 weight  0.10000E+01 volume  0.26270E+01 ppm1      1.364 ppm2      0.537
 ASSI (
   (( segid "    " and resid 24   and name HB  ))
 )(
   (( segid "    " and resid 25   and name H   ))
  OR 
   (( segid "    " and resid 23   and name H   ))
 )
      3.000     1.100     1.100 peak  2054 weight  0.10000E+01 volume  0.21300E+00 ppm1      1.358 ppm2      8.743
 ASSI (
   (( segid "    " and resid 77   and name HB2 ))
 )(
   (( segid "    " and resid 79   and name HG3 ))
  OR 
   (( segid "    " and resid 79   and name HG2 ))
 )
      2.400     0.700     0.700 peak  2056 weight  0.10000E+01 volume  0.77800E+00 ppm1      1.714 ppm2      1.001
 ASSI (
   (( segid "    " and resid 77   and name HB2 ))
 )(
   (( segid "    " and resid 77   and name HD23))
  OR 
   (( segid "    " and resid 77   and name HD22))
  OR 
   (( segid "    " and resid 77   and name HD21))
 )
      2.500     0.800     0.800 peak  2057 weight  0.10000E+01 volume  0.14320E+01 ppm1      1.716 ppm2      0.776
 ASSI (
   (( segid "    " and resid 77   and name HB3 ))
 )(
   (( segid "    " and resid 79   and name HG2 ))
  OR 
   (( segid "    " and resid 21   and name HG23))
  OR 
   (( segid "    " and resid 21   and name HG22))
  OR 
   (( segid "    " and resid 21   and name HG21))
 )
      2.700     0.900     0.900 peak  2058 weight  0.10000E+01 volume  0.82600E+00 ppm1      1.199 ppm2      1.026
 ASSI (
   (( segid "    " and resid 77   and name HB3 ))
 )(
   (( segid "    " and resid 77   and name HD23))
  OR 
   (( segid "    " and resid 77   and name HD22))
  OR 
   (( segid "    " and resid 77   and name HD21))
  OR 
   (( segid "    " and resid 77   and name HD13))
  OR 
   (( segid "    " and resid 77   and name HD12))
  OR 
   (( segid "    " and resid 77   and name HD11))
 )
      2.300     0.700     0.700 peak  2059 weight  0.10000E+01 volume  0.20110E+01 ppm1      1.196 ppm2      0.761
 ASSI (
   (( segid "    " and resid 77   and name HB2 ))
 )(
   (( segid "    " and resid 79   and name HD3 ))
  OR 
   (( segid "    " and resid 79   and name HD2 ))
  OR 
   (( segid "    " and resid 77   and name HG  ))
 )
      2.400     0.700     0.700 peak  2063 weight  0.10000E+01 volume  0.78800E+00 ppm1      1.711 ppm2      1.520
 ASSI (
   (( segid "    " and resid 79   and name HB3 ))
 )(
   (( segid "    " and resid 79   and name HG3 ))
  OR 
   (( segid "    " and resid 79   and name HG2 ))
 )
      2.400     0.700     0.700 peak  2077 weight  0.10000E+01 volume  0.93500E+00 ppm1      1.550 ppm2      1.002
 ASSI (
   (( segid "    " and resid 79   and name HB3 ))
 )(
   (( segid "    " and resid 80   and name HB2 ))
  OR 
   (( segid "    " and resid 53   and name HG3 ))
 )
      3.000     1.100     1.100 peak  2079 weight  0.10000E+01 volume  0.21600E+00 ppm1      1.551 ppm2      1.967
 ASSI (
   (( segid "    " and resid 79   and name HB3 ))
 )(
   (( segid "    " and resid 79   and name HE3 ))
  OR 
   (( segid "    " and resid 79   and name HE2 ))
 )
      3.000     1.100     1.100 peak  2085 weight  0.10000E+01 volume  0.22200E+00 ppm1      1.551 ppm2      2.788
 ASSI (
   (( segid "    " and resid 79   and name HB3 ))
 )(
   (( segid "    " and resid 54   and name H   ))
  OR 
   (( segid "    " and resid 53   and name H   ))
 )
      3.200     1.300     1.300 peak  2091 weight  0.10000E+01 volume  0.16400E+00 ppm1      1.543 ppm2      8.421
 ASSI (
   (( segid "    " and resid 57   and name HB3 ))
 )(
   (( segid "    " and resid 57   and name HG3 ))
  OR 
   (( segid "    " and resid 57   and name HG2 ))
 )
      2.300     0.700     0.700 peak  2093 weight  0.10000E+01 volume  0.10690E+01 ppm1      1.698 ppm2      1.341
 ASSI (
   (( segid "    " and resid 57   and name HB3 ))
 )(
   (( segid "    " and resid 74   and name HA  ))
  OR 
   (( segid "    " and resid 57   and name HA  ))
 )
      2.600     0.800     0.800 peak  2095 weight  0.10000E+01 volume  0.86300E+00 ppm1      1.698 ppm2      4.875
 ASSI (
   (( segid "    " and resid 23   and name HG2 ))
 )(
   (( segid "    " and resid 25   and name H   ))
  OR 
   (( segid "    " and resid 23   and name H   ))
 )
      2.600     0.800     0.800 peak  2097 weight  0.10000E+01 volume  0.55300E+00 ppm1      1.801 ppm2      8.754
 ASSI (
   (( segid "    " and resid 57   and name HB2 ))
 )(
   (( segid "    " and resid 58   and name H   ))
  OR 
   (( segid "    " and resid 57   and name H   ))
 )
      2.500     0.800     0.800 peak  2098 weight  0.10000E+01 volume  0.73900E+00 ppm1      1.789 ppm2      9.048
 ASSI (
   (( segid "    " and resid 89   and name HG2 ))
 )(
   (( segid "    " and resid 90   and name HD23))
  OR 
   (( segid "    " and resid 90   and name HD22))
  OR 
   (( segid "    " and resid 90   and name HD21))
  OR 
   (( segid "    " and resid 87   and name HG23))
  OR 
   (( segid "    " and resid 87   and name HG22))
  OR 
   (( segid "    " and resid 87   and name HG21))
 )
      2.900     1.100     1.100 peak  2102 weight  0.10000E+01 volume  0.54100E+00 ppm1      2.009 ppm2      0.681
 ASSI (
   (( segid "    " and resid 23   and name HG3 ))
 )(
   (( segid "    " and resid 77   and name HD13))
  OR 
   (( segid "    " and resid 77   and name HD12))
  OR 
   (( segid "    " and resid 77   and name HD11))
 )
      2.400     0.700     0.700 peak  2103 weight  0.10000E+01 volume  0.17300E+01 ppm1      2.058 ppm2      0.741
 ASSI (
   (( segid "    " and resid 91   and name HB  ))
 )(
   (( segid "    " and resid 91   and name HG23))
  OR 
   (( segid "    " and resid 91   and name HG22))
  OR 
   (( segid "    " and resid 91   and name HG21))
  OR 
   (( segid "    " and resid 39   and name HG23))
  OR 
   (( segid "    " and resid 39   and name HG22))
 )
      2.100     0.600     0.600 peak  2105 weight  0.10000E+01 volume  0.34770E+01 ppm1      1.795 ppm2      0.897
 ASSI (
   (( segid "    " and resid 105  and name HB2 ))
 )(
   (( segid "    " and resid 105  and name HD3 ))
  OR 
   (( segid "    " and resid 105  and name HD2 ))
 )
      2.500     0.800     0.800 peak  2108 weight  0.10000E+01 volume  0.68500E+00 ppm1      1.766 ppm2      3.169
 ASSI (
   (( segid "    " and resid 12   and name HB3 ))
  OR 
   (( segid "    " and resid 12   and name HB2 ))
 )(
   (( segid "    " and resid 12   and name H   ))
 )
      2.100     0.600     0.600 peak  2109 weight  0.10000E+01 volume  0.17270E+01 ppm1      1.760 ppm2      8.138
 ASSI (
   (( segid "    " and resid 55   and name HB  ))
 )(
   (( segid "    " and resid 55   and name HG23))
  OR 
   (( segid "    " and resid 55   and name HG22))
  OR 
   (( segid "    " and resid 55   and name HG21))
  OR 
   (( segid "    " and resid 55   and name HG13))
  OR 
   (( segid "    " and resid 55   and name HG12))
  OR 
   (( segid "    " and resid 55   and name HG11))
 )
      2.100     0.600     0.600 peak  2111 weight  0.10000E+01 volume  0.33730E+01 ppm1      1.916 ppm2      0.936
 ASSI (
   (( segid "    " and resid 55   and name HB  ))
 )(
   (( segid "    " and resid 77   and name HD23))
  OR 
   (( segid "    " and resid 77   and name HD22))
  OR 
   (( segid "    " and resid 77   and name HD21))
  OR 
   (( segid "    " and resid 75   and name HG23))
  OR 
   (( segid "    " and resid 75   and name HG22))
  OR 
   (( segid "    " and resid 75   and name HG21))
 )
      2.900     1.100     1.100 peak  2112 weight  0.10000E+01 volume  0.56500E+00 ppm1      1.917 ppm2      0.773
 ASSI (
   (( segid "    " and resid 55   and name HB  ))
  OR 
   (( segid "    " and resid 35   and name HB2 ))
 )(
   (( segid "    " and resid 95   and name HG2 ))
  OR 
   (( segid "    " and resid 77   and name HB2 ))
 )
      2.100     0.600     0.600 peak  2114 weight  0.10000E+01 volume  0.19580E+01 ppm1      1.918 ppm2      1.716
 ASSI (
   (( segid "    " and resid 55   and name HB  ))
  OR 
   (( segid "    " and resid 35   and name HB2 ))
 )(
   (( segid "    " and resid 56   and name H   ))
  OR 
   (( segid "    " and resid 37   and name H   ))
 )
      2.900     1.100     1.100 peak  2121 weight  0.10000E+01 volume  0.28600E+00 ppm1      1.910 ppm2      9.128
 ASSI (
   (( segid "    " and resid 35   and name HB2 ))
 )(
   (( segid "    " and resid 35   and name HG2 ))
  OR 
   (( segid "    " and resid 35   and name HB3 ))
 )
      1.900     0.500     0.500 peak  2129 weight  0.10000E+01 volume  0.36220E+01 ppm1      1.889 ppm2      2.163
 ASSI (
   (( segid "    " and resid 89   and name HG3 ))
 )(
   (( segid "    " and resid 108  and name H   ))
  OR 
   (( segid "    " and resid 89   and name H   ))
  OR 
   (( segid "    " and resid 39   and name H   ))
 )
      2.600     0.800     0.800 peak  2134 weight  0.10000E+01 volume  0.54000E+00 ppm1      2.144 ppm2      8.689
 ASSI (
   (( segid "    " and resid 89   and name HG3 ))
 )(
   (( segid "    " and resid 90   and name H   ))
  OR 
   (( segid "    " and resid 88   and name H   ))
  OR 
   (( segid "    " and resid 87   and name H   ))
 )
      3.100     1.200     1.200 peak  2136 weight  0.10000E+01 volume  0.18800E+00 ppm1      2.147 ppm2      9.194
 ASSI (
   (( segid "    " and resid 89   and name HG2 ))
 )(
   (( segid "    " and resid 90   and name H   ))
  OR 
   (( segid "    " and resid 88   and name H   ))
  OR 
   (( segid "    " and resid 87   and name H   ))
 )
      3.000     1.100     1.100 peak  2137 weight  0.10000E+01 volume  0.20100E+00 ppm1      2.010 ppm2      9.192
 ASSI (
   (( segid "    " and resid 89   and name HG3 ))
 )(
   (( segid "    " and resid 99   and name HD12))
  OR 
   (( segid "    " and resid 91   and name HG23))
  OR 
   (( segid "    " and resid 91   and name HG22))
  OR 
   (( segid "    " and resid 91   and name HG21))
  OR 
   (( segid "    " and resid 39   and name HG23))
  OR 
   (( segid "    " and resid 39   and name HG22))
  OR 
   (( segid "    " and resid 39   and name HG21))
 )
      3.000     1.100     1.100 peak  2139 weight  0.10000E+01 volume  0.41400E+00 ppm1      2.144 ppm2      0.902
 ASSI (
   (( segid "    " and resid 89   and name HG3 ))
 )(
   (( segid "    " and resid 90   and name HD23))
  OR 
   (( segid "    " and resid 90   and name HD22))
  OR 
   (( segid "    " and resid 87   and name HG23))
  OR 
   (( segid "    " and resid 87   and name HG22))
  OR 
   (( segid "    " and resid 87   and name HG21))
 )
      2.700     0.900     0.900 peak  2140 weight  0.10000E+01 volume  0.72200E+00 ppm1      2.149 ppm2      0.688
 ASSI (
   (( segid "    " and resid 89   and name HG2 ))
 )(
   (( segid "    " and resid 107  and name HG23))
  OR 
   (( segid "    " and resid 107  and name HG22))
  OR 
   (( segid "    " and resid 107  and name HG21))
 )
      3.000     1.100     1.100 peak  2141 weight  0.10000E+01 volume  0.46800E+00 ppm1      2.009 ppm2      0.482
 ASSI (
   (( segid "    " and resid 89   and name HG3 ))
 )(
   (( segid "    " and resid 107  and name HG23))
  OR 
   (( segid "    " and resid 107  and name HG22))
  OR 
   (( segid "    " and resid 107  and name HG21))
 )
      3.000     1.100     1.100 peak  2142 weight  0.10000E+01 volume  0.43100E+00 ppm1      2.149 ppm2      0.471
 ASSI (
   (( segid "    " and resid 53   and name HG3 ))
 )(
   (( segid "    " and resid 54   and name H   ))
  OR 
   (( segid "    " and resid 53   and name H   ))
 )
      2.700     0.900     0.900 peak  2144 weight  0.10000E+01 volume  0.44500E+00 ppm1      1.969 ppm2      8.441
 ASSI (
   (( segid "    " and resid 53   and name HG3 ))
 )(
   (( segid "    " and resid 81   and name HG3 ))
  OR 
   (( segid "    " and resid 81   and name HG2 ))
  OR 
   (( segid "    " and resid 79   and name HB2 ))
 )
      2.800     1.000     1.000 peak  2145 weight  0.10000E+01 volume  0.32700E+00 ppm1      1.969 ppm2      1.604
 ASSI (
   (( segid "    " and resid 53   and name HG3 ))
 )(
   (( segid "    " and resid 81   and name HG3 ))
  OR 
   (( segid "    " and resid 81   and name HG2 ))
  OR 
   (( segid "    " and resid 79   and name HB3 ))
 )
      2.800     1.000     1.000 peak  2146 weight  0.10000E+01 volume  0.33000E+00 ppm1      1.971 ppm2      1.563
 ASSI (
   (( segid "    " and resid 14   and name HB  ))
 )(
   (( segid "    " and resid 14   and name HG23))
  OR 
   (( segid "    " and resid 14   and name HG22))
  OR 
   (( segid "    " and resid 14   and name HG21))
  OR 
   (( segid "    " and resid 14   and name HG13))
  OR 
   (( segid "    " and resid 14   and name HG12))
  OR 
   (( segid "    " and resid 14   and name HG11))
 )
      2.100     0.600     0.600 peak  2149 weight  0.10000E+01 volume  0.33040E+01 ppm1      2.023 ppm2      0.892
 ASSI (
   (( segid "    " and resid 14   and name HB  ))
 )(
   (( segid "    " and resid 15   and name H   ))
  OR 
   (( segid "    " and resid 14   and name H   ))
 )
      2.300     0.700     0.700 peak  2150 weight  0.10000E+01 volume  0.99100E+00 ppm1      2.024 ppm2      8.793
 ASSI (
   (( segid "    " and resid 105  and name HB3 ))
 )(
   (( segid "    " and resid 105  and name HG3 ))
  OR 
   (( segid "    " and resid 105  and name HG2 ))
  OR 
   (( segid "    " and resid 105  and name HB2 ))
 )
      1.800     0.400     0.400 peak  2151 weight  0.10000E+01 volume  0.47950E+01 ppm1      2.114 ppm2      1.758
 ASSI (
   (( segid "    " and resid 105  and name HB3 ))
 )(
   (( segid "    " and resid 106  and name H   ))
  OR 
   (( segid "    " and resid 105  and name H   ))
 )
      2.600     0.800     0.800 peak  2154 weight  0.10000E+01 volume  0.53000E+00 ppm1      2.114 ppm2      8.487
 ASSI (
   (( segid "    " and resid 105  and name HB2 ))
 )(
   (( segid "    " and resid 106  and name H   ))
  OR 
   (( segid "    " and resid 105  and name H   ))
 )
      2.400     0.700     0.700 peak  2155 weight  0.10000E+01 volume  0.77900E+00 ppm1      1.767 ppm2      8.492
 ASSI (
   (( segid "    " and resid 15   and name HB3 ))
  OR 
   (( segid "    " and resid 15   and name HB2 ))
 )(
   (( segid "    " and resid 16   and name H   ))
 )
      1.800     0.400     0.400 peak  2158 weight  0.10000E+01 volume  0.54720E+01 ppm1      2.653 ppm2      8.874
 ASSI (
   (( segid "    " and resid 36   and name HE3 ))
 )(
   (( segid "    " and resid 90   and name HD13))
  OR 
   (( segid "    " and resid 90   and name HD12))
  OR 
   (( segid "    " and resid 90   and name HD11))
  OR 
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
  OR 
   (( segid "    " and resid 34   and name HB3 ))
 )
      3.600     1.600     1.600 peak  2160 weight  0.10000E+01 volume  0.26300E+00 ppm1      7.187 ppm2      0.566
 ASSI (
   (( segid "    " and resid 30   and name HD2 ))
 )(
   (( segid "    " and resid 58   and name HE2 ))
  OR 
   (( segid "    " and resid 58   and name HE1 ))
 )
      3.200     1.300     1.300 peak  2163 weight  0.10000E+01 volume  0.26700E+00 ppm1      3.156 ppm2      6.495
 ASSI (
   (( segid "    " and resid 30   and name HD3 ))
 )(
   (( segid "    " and resid 58   and name HE2 ))
  OR 
   (( segid "    " and resid 58   and name HE1 ))
 )
      3.300     1.400     1.400 peak  2164 weight  0.10000E+01 volume  0.24600E+00 ppm1      3.590 ppm2      6.473
 ASSI (
   (( segid "    " and resid 62   and name HD2 ))
  OR 
   (( segid "    " and resid 60   and name HD2 ))
 )(
   (( segid "    " and resid 61   and name HA  ))
  OR 
   (( segid "    " and resid 59   and name HA  ))
 )
      2.000     0.500     0.500 peak  2171 weight  0.10000E+01 volume  0.34580E+01 ppm1      3.651 ppm2      4.448
 ASSI (
   (( segid "    " and resid 60   and name HD3 ))
 )(
   (( segid "    " and resid 60   and name HG3 ))
  OR 
   (( segid "    " and resid 60   and name HG2 ))
 )
      2.100     0.600     0.600 peak  2173 weight  0.10000E+01 volume  0.16370E+01 ppm1      3.411 ppm2      1.994
 ASSI (
   (( segid "    " and resid 60   and name HD3 ))
 )(
   (( segid "    " and resid 59   and name HG23))
  OR 
   (( segid "    " and resid 59   and name HG22))
  OR 
   (( segid "    " and resid 59   and name HG21))
 )
      3.000     1.100     1.100 peak  2174 weight  0.10000E+01 volume  0.38900E+00 ppm1      3.420 ppm2      0.994
 ASSI (
   (( segid "    " and resid 62   and name HD2 ))
  OR 
   (( segid "    " and resid 60   and name HD2 ))
 )(
   (( segid "    " and resid 70   and name HG23))
  OR 
   (( segid "    " and resid 70   and name HG22))
  OR 
   (( segid "    " and resid 70   and name HG21))
  OR 
   (( segid "    " and resid 70   and name HG13))
  OR 
   (( segid "    " and resid 70   and name HG12))
  OR 
   (( segid "    " and resid 70   and name HG11))
  OR 
   (( segid "    " and resid 59   and name HG23))
  OR 
   (( segid "    " and resid 59   and name HG22))
  OR 
   (( segid "    " and resid 59   and name HG21))
 )
      2.800     1.000     1.000 peak  2175 weight  0.10000E+01 volume  0.60300E+00 ppm1      3.653 ppm2      0.979
 ASSI (
   (( segid "    " and resid 66   and name HD3 ))
  OR 
   (( segid "    " and resid 62   and name HD3 ))
 )(
   (( segid "    " and resid 66   and name HD2 ))
  OR 
   (( segid "    " and resid 62   and name HD2 ))
 )
      1.800     0.400     0.400 peak  2176 weight  0.10000E+01 volume  0.43650E+01 ppm1      3.826 ppm2      3.646
 ASSI (
   (( segid "    " and resid 66   and name HD3 ))
  OR 
   (( segid "    " and resid 62   and name HD3 ))
 )(
   (( segid "    " and resid 65   and name HG23))
  OR 
   (( segid "    " and resid 65   and name HG22))
  OR 
   (( segid "    " and resid 65   and name HG21))
  OR 
   (( segid "    " and resid 61   and name HG23))
  OR 
   (( segid "    " and resid 61   and name HG22))
  OR 
   (( segid "    " and resid 61   and name HG21))
 )
      3.000     1.100     1.100 peak  2178 weight  0.10000E+01 volume  0.42400E+00 ppm1      3.823 ppm2      1.178
 ASSI (
   (( segid "    " and resid 95   and name HD2 ))
  OR 
   (( segid "    " and resid 66   and name HD3 ))
 )(
   (( segid "    " and resid 94   and name HB2 ))
  OR 
   (( segid "    " and resid 65   and name HG23))
  OR 
   (( segid "    " and resid 65   and name HG22))
  OR 
   (( segid "    " and resid 65   and name HG21))
 )
      3.200     1.300     1.300 peak  2179 weight  0.10000E+01 volume  0.24900E+00 ppm1      3.781 ppm2      1.175
 ASSI (
   (( segid "    " and resid 66   and name HD2 ))
  OR 
   (( segid "    " and resid 62   and name HD2 ))
 )(
   (( segid "    " and resid 65   and name HG23))
  OR 
   (( segid "    " and resid 65   and name HG22))
  OR 
   (( segid "    " and resid 65   and name HG21))
  OR 
   (( segid "    " and resid 61   and name HG23))
  OR 
   (( segid "    " and resid 61   and name HG22))
  OR 
   (( segid "    " and resid 61   and name HG21))
 )
      2.700     0.900     0.900 peak  2180 weight  0.10000E+01 volume  0.72200E+00 ppm1      3.649 ppm2      1.174
 ASSI (
   (( segid "    " and resid 62   and name HD3 ))
 )(
   (( segid "    " and resid 62   and name HA  ))
  OR 
   (( segid "    " and resid 61   and name HA  ))
 )
      2.200     0.600     0.600 peak  2181 weight  0.10000E+01 volume  0.21050E+01 ppm1      3.825 ppm2      4.447
 ASSI (
   (( segid "    " and resid 95   and name HD2 ))
  OR 
   (( segid "    " and resid 66   and name HD3 ))
 )(
   (( segid "    " and resid 94   and name HA  ))
  OR 
   (( segid "    " and resid 65   and name HA  ))
 )
      2.400     0.700     0.700 peak  2182 weight  0.10000E+01 volume  0.12960E+01 ppm1      3.777 ppm2      4.716
 ASSI (
   (( segid "    " and resid 101  and name HD2 ))
  OR 
   (( segid "    " and resid 4    and name HD3 ))
 )(
   (( segid "    " and resid 100  and name HB3 ))
  OR 
   (( segid "    " and resid 2    and name HG13))
 )
      2.600     0.800     0.800 peak  2186 weight  0.10000E+01 volume  0.57800E+00 ppm1      3.804 ppm2      1.486
 ASSI (
   (( segid "    " and resid 101  and name HD3 ))
 )(
   (( segid "    " and resid 100  and name HG3 ))
  OR 
   (( segid "    " and resid 100  and name HG2 ))
  OR 
   (( segid "    " and resid 100  and name HB3 ))
 )
      2.900     1.100     1.100 peak  2187 weight  0.10000E+01 volume  0.27000E+00 ppm1      3.871 ppm2      1.464
 ASSI (
   (( segid "    " and resid 80   and name HD3 ))
 )(
   (( segid "    " and resid 110  and name HD23))
  OR 
   (( segid "    " and resid 110  and name HD22))
  OR 
   (( segid "    " and resid 110  and name HD21))
  OR 
   (( segid "    " and resid 110  and name HD13))
  OR 
   (( segid "    " and resid 110  and name HD12))
  OR 
   (( segid "    " and resid 110  and name HD11))
  OR 
   (( segid "    " and resid 78   and name HG13))
  OR 
   (( segid "    " and resid 78   and name HG12))
 )
      3.000     1.100     1.100 peak  2195 weight  0.10000E+01 volume  0.41900E+00 ppm1      3.863 ppm2      0.762
 ASSI (
   (( segid "    " and resid 80   and name HD2 ))
 )(
   (( segid "    " and resid 110  and name HD23))
  OR 
   (( segid "    " and resid 110  and name HD22))
  OR 
   (( segid "    " and resid 110  and name HD21))
  OR 
   (( segid "    " and resid 110  and name HD13))
  OR 
   (( segid "    " and resid 110  and name HD12))
  OR 
   (( segid "    " and resid 110  and name HD11))
  OR 
   (( segid "    " and resid 78   and name HG13))
  OR 
   (( segid "    " and resid 78   and name HG12))
  OR 
   (( segid "    " and resid 78   and name HG11))
  OR 
   (( segid "    " and resid 18   and name HG13))
  OR 
   (( segid "    " and resid 18   and name HG12))
  OR 
   (( segid "    " and resid 18   and name HG11))
 )
      3.300     1.400     1.400 peak  2196 weight  0.10000E+01 volume  0.23200E+00 ppm1      4.472 ppm2      0.776
 ASSI (
   (( segid "    " and resid 95   and name HD3 ))
 )(
   (( segid "    " and resid 95   and name HG3 ))
  OR 
   (( segid "    " and resid 95   and name HB3 ))
  OR 
   (( segid "    " and resid 35   and name HB3 ))
 )
      2.300     0.700     0.700 peak  2201 weight  0.10000E+01 volume  0.10970E+01 ppm1      4.065 ppm2      2.132
 ASSI (
   (( segid "    " and resid 95   and name HD3 ))
 )(
   (( segid "    " and resid 42   and name HG13))
  OR 
   (( segid "    " and resid 42   and name HG12))
  OR 
   (( segid "    " and resid 42   and name HG11))
 )
      3.200     1.300     1.300 peak  2203 weight  0.10000E+01 volume  0.29400E+00 ppm1      4.047 ppm2      0.881
 ASSI (
   (( segid "    " and resid 95   and name HD3 ))
 )(
   (( segid "    " and resid 93   and name HG23))
  OR 
   (( segid "    " and resid 93   and name HG22))
  OR 
   (( segid "    " and resid 93   and name HG21))
  OR 
   (( segid "    " and resid 34   and name HB3 ))
 )
      3.000     1.100     1.100 peak  2204 weight  0.10000E+01 volume  0.31700E+00 ppm1      4.062 ppm2      0.637
 ASSI (
   (( segid "    " and resid 95   and name HD2 ))
 )(
   (( segid "    " and resid 93   and name HG23))
  OR 
   (( segid "    " and resid 93   and name HG22))
  OR 
   (( segid "    " and resid 93   and name HG21))
 )
      3.600     1.600     1.600 peak  2205 weight  0.10000E+01 volume  0.13300E+00 ppm1      3.774 ppm2      0.642
 ASSI (
   (( segid "    " and resid 95   and name HD2 ))
 )(
   (( segid "    " and resid 42   and name HG13))
  OR 
   (( segid "    " and resid 42   and name HG12))
  OR 
   (( segid "    " and resid 42   and name HG11))
 )
      3.400     1.400     1.400 peak  2206 weight  0.10000E+01 volume  0.21900E+00 ppm1      3.759 ppm2      0.870
 ASSI (
   (( segid "    " and resid 101  and name HD2 ))
  OR 
   (( segid "    " and resid 95   and name HD2 ))
 )(
   (( segid "    " and resid 100  and name HB2 ))
  OR 
   (( segid "    " and resid 95   and name HG3 ))
  OR 
   (( segid "    " and resid 35   and name HB3 ))
 )
      2.000     0.500     0.500 peak  2208 weight  0.10000E+01 volume  0.23130E+01 ppm1      3.760 ppm2      2.124
 ASSI (
   (( segid "    " and resid 26   and name HA  ))
 )(
   (( segid "    " and resid 26   and name HB3 ))
  OR 
   (( segid "    " and resid 24   and name HG23))
  OR 
   (( segid "    " and resid 24   and name HG22))
  OR 
   (( segid "    " and resid 24   and name HG21))
 )
      2.300     0.700     0.700 peak  2211 weight  0.10000E+01 volume  0.18720E+01 ppm1      4.476 ppm2      0.341
 ASSI (
   (( segid "    " and resid 26   and name HA  ))
 )(
   (( segid "    " and resid 26   and name HD23))
  OR 
   (( segid "    " and resid 26   and name HD22))
  OR 
   (( segid "    " and resid 26   and name HD21))
 )
      2.400     0.700     0.700 peak  2212 weight  0.10000E+01 volume  0.22610E+01 ppm1      4.477 ppm2     -0.344
 ASSI (
   (( segid "    " and resid 88   and name HA  ))
  OR 
   (( segid "    " and resid 26   and name HA  ))
 )(
   (( segid "    " and resid 89   and name H   ))
  OR 
   (( segid "    " and resid 27   and name H   ))
 )
      2.100     0.600     0.600 peak  2213 weight  0.10000E+01 volume  0.26530E+01 ppm1      4.477 ppm2      8.715
 ASSI (
   (( segid "    " and resid 88   and name HA  ))
 )(
   (( segid "    " and resid 88   and name H   ))
  OR 
   (( segid "    " and resid 87   and name H   ))
 )
      2.700     0.900     0.900 peak  2215 weight  0.10000E+01 volume  0.61600E+00 ppm1      4.435 ppm2      9.225
 ASSI (
   (( segid "    " and resid 88   and name HA  ))
 )(
   (( segid "    " and resid 89   and name HG2 ))
  OR 
   (( segid "    " and resid 88   and name HB2 ))
 )
      2.600     0.800     0.800 peak  2216 weight  0.10000E+01 volume  0.78300E+00 ppm1      4.447 ppm2      2.000
 ASSI (
   (( segid "    " and resid 88   and name HA  ))
 )(
   (( segid "    " and resid 88   and name HD23))
  OR 
   (( segid "    " and resid 88   and name HD22))
  OR 
   (( segid "    " and resid 88   and name HD21))
  OR 
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
 )
      2.400     0.700     0.700 peak  2218 weight  0.10000E+01 volume  0.24780E+01 ppm1      4.436 ppm2      0.779
 ASSI (
   (( segid "    " and resid 37   and name HB  ))
 )(
   (( segid "    " and resid 58   and name HD2 ))
  OR 
   (( segid "    " and resid 58   and name HD1 ))
 )
      2.500     0.800     0.800 peak  2221 weight  0.10000E+01 volume  0.12140E+01 ppm1      4.078 ppm2      6.172
 ASSI (
   (( segid "    " and resid 37   and name HB  ))
 )(
   (( segid "    " and resid 35   and name HG2 ))
  OR 
   (( segid "    " and resid 35   and name HB3 ))
 )
      2.500     0.800     0.800 peak  2223 weight  0.10000E+01 volume  0.60500E+00 ppm1      4.072 ppm2      2.144
 ASSI (
   (( segid "    " and resid 37   and name HB  ))
 )(
   (( segid "    " and resid 47   and name HD23))
  OR 
   (( segid "    " and resid 47   and name HD22))
  OR 
   (( segid "    " and resid 47   and name HD21))
  OR 
   (( segid "    " and resid 47   and name HD13))
  OR 
   (( segid "    " and resid 47   and name HD12))
  OR 
   (( segid "    " and resid 47   and name HD11))
  OR 
   (( segid "    " and resid 42   and name HG13))
  OR 
   (( segid "    " and resid 42   and name HG12))
  OR 
   (( segid "    " and resid 42   and name HG11))
 )
      2.900     1.100     1.100 peak  2225 weight  0.10000E+01 volume  0.49400E+00 ppm1      4.074 ppm2      0.872
 ASSI (
   (( segid "    " and resid 31   and name HB  ))
 )(
   (( segid "    " and resid 32   and name H   ))
  OR 
   (( segid "    " and resid 29   and name HD21))
 )
      3.300     1.400     1.400 peak  2227 weight  0.10000E+01 volume  0.12200E+00 ppm1      4.271 ppm2      7.785
 ASSI (
   (( segid "    " and resid 31   and name HB  ))
 )(
   (( segid "    " and resid 31   and name HG23))
  OR 
   (( segid "    " and resid 31   and name HG22))
  OR 
   (( segid "    " and resid 31   and name HG21))
 )
      2.400     0.700     0.700 peak  2229 weight  0.10000E+01 volume  0.16220E+01 ppm1      4.273 ppm2      1.320
 ASSI (
   (( segid "    " and resid 65   and name HB  ))
 )(
   (( segid "    " and resid 65   and name HG23))
  OR 
   (( segid "    " and resid 65   and name HG22))
  OR 
   (( segid "    " and resid 65   and name HG21))
 )
      2.400     0.700     0.700 peak  2233 weight  0.10000E+01 volume  0.15790E+01 ppm1      4.216 ppm2      1.179
 ASSI (
   (( segid "    " and resid 16   and name HB  ))
 )(
   (( segid "    " and resid 16   and name HG23))
  OR 
   (( segid "    " and resid 16   and name HG22))
  OR 
   (( segid "    " and resid 16   and name HG21))
 )
      2.500     0.800     0.800 peak  2235 weight  0.10000E+01 volume  0.13890E+01 ppm1      3.907 ppm2      1.095
 ASSI (
   (( segid "    " and resid 16   and name HB  ))
 )(
   (( segid "    " and resid 112  and name HG23))
  OR 
   (( segid "    " and resid 112  and name HG22))
  OR 
   (( segid "    " and resid 112  and name HG21))
  OR 
   (( segid "    " and resid 108  and name HD23))
  OR 
   (( segid "    " and resid 108  and name HD21))
  OR 
   (( segid "    " and resid 14   and name HG23))
  OR 
   (( segid "    " and resid 14   and name HG22))
  OR 
   (( segid "    " and resid 14   and name HG21))
  OR 
   (( segid "    " and resid 14   and name HG13))
  OR 
   (( segid "    " and resid 14   and name HG12))
  OR 
   (( segid "    " and resid 14   and name HG11))
 )
      2.800     1.000     1.000 peak  2236 weight  0.10000E+01 volume  0.70700E+00 ppm1      3.910 ppm2      0.896
 ASSI (
   (( segid "    " and resid 16   and name HB  ))
 )(
   (( segid "    " and resid 110  and name HD23))
  OR 
   (( segid "    " and resid 110  and name HD22))
  OR 
   (( segid "    " and resid 110  and name HD21))
  OR 
   (( segid "    " and resid 110  and name HD13))
  OR 
   (( segid "    " and resid 110  and name HD12))
  OR 
   (( segid "    " and resid 110  and name HD11))
 )
      3.200     1.300     1.300 peak  2237 weight  0.10000E+01 volume  0.27000E+00 ppm1      3.902 ppm2      0.738
 ASSI (
   (( segid "    " and resid 16   and name HB  ))
 )(
   (( segid "    " and resid 17   and name H   ))
  OR 
   (( segid "    " and resid 16   and name H   ))
 )
      2.900     1.100     1.100 peak  2239 weight  0.10000E+01 volume  0.25300E+00 ppm1      3.912 ppm2      8.858
 ASSI (
   (( segid "    " and resid 61   and name HB  ))
 )(
   (( segid "    " and resid 61   and name HG23))
  OR 
   (( segid "    " and resid 61   and name HG22))
  OR 
   (( segid "    " and resid 61   and name HG21))
 )
      2.200     0.600     0.600 peak  2240 weight  0.10000E+01 volume  0.24680E+01 ppm1      4.005 ppm2      1.177
 ASSI (
   (( segid "    " and resid 87   and name HB  ))
 )(
   (( segid "    " and resid 88   and name H   ))
  OR 
   (( segid "    " and resid 87   and name H   ))
 )
      2.300     0.700     0.700 peak  2246 weight  0.10000E+01 volume  0.10640E+01 ppm1      3.866 ppm2      9.203
 ASSI (
   (( segid "    " and resid 87   and name HB  ))
 )(
   (( segid "    " and resid 87   and name HG23))
  OR 
   (( segid "    " and resid 87   and name HG22))
  OR 
   (( segid "    " and resid 87   and name HG21))
 )
      2.300     0.700     0.700 peak  2248 weight  0.10000E+01 volume  0.22080E+01 ppm1      3.870 ppm2      0.680
 ASSI (
   (( segid "    " and resid 87   and name HB  ))
 )(
   (( segid "    " and resid 107  and name HG23))
  OR 
   (( segid "    " and resid 107  and name HG22))
  OR 
   (( segid "    " and resid 107  and name HG21))
 )
      3.200     1.300     1.300 peak  2249 weight  0.10000E+01 volume  0.26500E+00 ppm1      3.871 ppm2      0.465
 ASSI (
   (( segid "    " and resid 107  and name HB  ))
 )(
   (( segid "    " and resid 107  and name HG23))
  OR 
   (( segid "    " and resid 107  and name HG22))
  OR 
   (( segid "    " and resid 107  and name HG21))
 )
      2.300     0.700     0.700 peak  2253 weight  0.10000E+01 volume  0.19960E+01 ppm1      3.719 ppm2      0.469
 ASSI (
   (( segid "    " and resid 22   and name HB  ))
 )(
   (( segid "    " and resid 110  and name HD13))
  OR 
   (( segid "    " and resid 110  and name HD12))
  OR 
   (( segid "    " and resid 110  and name HD11))
  OR 
   (( segid "    " and resid 78   and name HG23))
  OR 
   (( segid "    " and resid 78   and name HG22))
  OR 
   (( segid "    " and resid 78   and name HG21))
  OR 
   (( segid "    " and resid 78   and name HG13))
  OR 
   (( segid "    " and resid 78   and name HG12))
  OR 
   (( segid "    " and resid 78   and name HG11))
 )
      2.300     0.700     0.700 peak  2264 weight  0.10000E+01 volume  0.23300E+01 ppm1      3.690 ppm2      0.785
 ASSI (
   (( segid "    " and resid 22   and name HB  ))
 )(
   (( segid "    " and resid 108  and name HD23))
  OR 
   (( segid "    " and resid 108  and name HD21))
  OR 
   (( segid "    " and resid 108  and name HD13))
  OR 
   (( segid "    " and resid 108  and name HD12))
  OR 
   (( segid "    " and resid 108  and name HD11))
  OR 
   (( segid "    " and resid 78   and name HG23))
  OR 
   (( segid "    " and resid 78   and name HG22))
  OR 
   (( segid "    " and resid 78   and name HG21))
 )
      2.500     0.800     0.800 peak  2265 weight  0.10000E+01 volume  0.13210E+01 ppm1      3.692 ppm2      0.833
 ASSI (
   (( segid "    " and resid 59   and name HB  ))
 )(
   (( segid "    " and resid 59   and name HG23))
  OR 
   (( segid "    " and resid 59   and name HG22))
  OR 
   (( segid "    " and resid 59   and name HG21))
 )
      2.200     0.600     0.600 peak  2266 weight  0.10000E+01 volume  0.24410E+01 ppm1      3.746 ppm2      0.985
 ASSI (
   (( segid "    " and resid 59   and name HB  ))
 )(
   (( segid "    " and resid 73   and name HG13))
  OR 
   (( segid "    " and resid 61   and name HG22))
  OR 
   (( segid "    " and resid 61   and name HG21))
 )
      2.900     1.100     1.100 peak  2267 weight  0.10000E+01 volume  0.26800E+00 ppm1      3.744 ppm2      1.182
 ASSI (
   (( segid "    " and resid 59   and name HB  ))
 )(
   (( segid "    " and resid 75   and name HG13))
  OR 
   (( segid "    " and resid 75   and name HG12))
  OR 
   (( segid "    " and resid 75   and name HG11))
  OR 
   (( segid "    " and resid 73   and name HD13))
  OR 
   (( segid "    " and resid 73   and name HD12))
  OR 
   (( segid "    " and resid 73   and name HD11))
 )
      2.900     1.100     1.100 peak  2268 weight  0.10000E+01 volume  0.47900E+00 ppm1      3.745 ppm2      0.542
 ASSI (
   (( segid "    " and resid 98   and name HA3 ))
 )(
   (( segid "    " and resid 91   and name HG23))
  OR 
   (( segid "    " and resid 91   and name HG22))
  OR 
   (( segid "    " and resid 42   and name HG13))
  OR 
   (( segid "    " and resid 42   and name HG12))
  OR 
   (( segid "    " and resid 42   and name HG11))
 )
      3.500     1.500     1.500 peak  2284 weight  0.10000E+01 volume  0.25500E+00 ppm1      3.502 ppm2      0.864
 ASSI (
   (( segid "    " and resid 98   and name HA2 ))
 )(
   (( segid "    " and resid 91   and name HG23))
  OR 
   (( segid "    " and resid 42   and name HG13))
  OR 
   (( segid "    " and resid 42   and name HG12))
  OR 
   (( segid "    " and resid 42   and name HG11))
 )
      4.400     2.400     1.600 peak  2287 weight  0.10000E+01 volume  0.62000E-01 ppm1      4.176 ppm2      0.864
 ASSI (
   (( segid "    " and resid 40   and name HA3 ))
  OR 
   (( segid "    " and resid 33   and name HA2 ))
 )(
   (( segid "    " and resid 41   and name HD1 ))
  OR 
   (( segid "    " and resid 34   and name H   ))
 )
      3.000     1.100     1.100 peak  2294 weight  0.10000E+01 volume  0.36400E+00 ppm1      3.627 ppm2      7.272
 ASSI (
   (( segid "    " and resid 69   and name HA3 ))
  OR 
   (( segid "    " and resid 69   and name HA2 ))
 )(
   (( segid "    " and resid 69   and name H   ))
 )
      2.000     0.500     0.500 peak  2307 weight  0.10000E+01 volume  0.39200E+01 ppm1      3.992 ppm2      8.518
 ASSI (
   (( segid "    " and resid 69   and name HA3 ))
  OR 
   (( segid "    " and resid 69   and name HA2 ))
 )(
   (( segid "    " and resid 70   and name H   ))
 )
      2.100     0.600     0.600 peak  2312 weight  0.10000E+01 volume  0.33210E+01 ppm1      3.993 ppm2      8.032
 ASSI (
   (( segid "    " and resid 72   and name HA3 ))
 )(
   (( segid "    " and resid 71   and name H   ))
  OR 
   (( segid "    " and resid 61   and name H   ))
 )
      3.100     1.200     1.200 peak  2320 weight  0.10000E+01 volume  0.28900E+00 ppm1      4.098 ppm2      8.588
 ASSI (
   (( segid "    " and resid 72   and name HA2 ))
 )(
   (( segid "    " and resid 71   and name H   ))
  OR 
   (( segid "    " and resid 61   and name H   ))
 )
      3.000     1.100     1.100 peak  2323 weight  0.10000E+01 volume  0.32400E+00 ppm1      4.381 ppm2      8.578
 ASSI (
   (( segid "    " and resid 19   and name HA2 ))
 )(
   (( segid "    " and resid 79   and name HD3 ))
  OR 
   (( segid "    " and resid 79   and name HD2 ))
 )
      2.800     1.000     1.000 peak  2325 weight  0.10000E+01 volume  0.52700E+00 ppm1      3.587 ppm2      1.507
 ASSI (
   (( segid "    " and resid 19   and name HA2 ))
 )(
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 18   and name HG23))
  OR 
   (( segid "    " and resid 18   and name HG22))
  OR 
   (( segid "    " and resid 18   and name HG21))
  OR 
   (( segid "    " and resid 18   and name HG13))
  OR 
   (( segid "    " and resid 18   and name HG12))
  OR 
   (( segid "    " and resid 18   and name HG11))
 )
      3.200     1.300     1.300 peak  2326 weight  0.10000E+01 volume  0.43300E+00 ppm1      3.591 ppm2      0.809
 ASSI (
   (( segid "    " and resid 19   and name HA3 ))
 )(
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 18   and name HG23))
  OR 
   (( segid "    " and resid 18   and name HG22))
  OR 
   (( segid "    " and resid 18   and name HG21))
  OR 
   (( segid "    " and resid 18   and name HG13))
  OR 
   (( segid "    " and resid 18   and name HG12))
  OR 
   (( segid "    " and resid 18   and name HG11))
 )
      3.600     1.600     1.600 peak  2328 weight  0.10000E+01 volume  0.23100E+00 ppm1      4.304 ppm2      0.809
 ASSI (
   (( segid "    " and resid 19   and name HA3 ))
 )(
   (( segid "    " and resid 79   and name HG3 ))
  OR 
   (( segid "    " and resid 79   and name HG2 ))
 )
      2.600     0.800     0.800 peak  2329 weight  0.10000E+01 volume  0.73200E+00 ppm1      4.293 ppm2      0.998
 ASSI (
   (( segid "    " and resid 19   and name HA3 ))
 )(
   (( segid "    " and resid 79   and name HD3 ))
  OR 
   (( segid "    " and resid 79   and name HD2 ))
  OR 
   (( segid "    " and resid 20   and name HD3 ))
 )
      3.100     1.200     1.200 peak  2330 weight  0.10000E+01 volume  0.30400E+00 ppm1      4.288 ppm2      1.497
 ASSI (
   (( segid "    " and resid 28   and name HA2 ))
 )(
   (( segid "    " and resid 92   and name HE2 ))
  OR 
   (( segid "    " and resid 92   and name HE1 ))
 )
      3.700     1.700     1.700 peak  2335 weight  0.10000E+01 volume  0.18700E+00 ppm1      4.192 ppm2      6.082
 ASSI (
   (( segid "    " and resid 28   and name HA3 ))
 )(
   (( segid "    " and resid 92   and name HE2 ))
  OR 
   (( segid "    " and resid 92   and name HE1 ))
 )
      3.500     1.500     1.500 peak  2336 weight  0.10000E+01 volume  0.26100E+00 ppm1      4.278 ppm2      6.081
 ASSI (
   (( segid "    " and resid 28   and name HA3 ))
 )(
   (( segid "    " and resid 74   and name HE2 ))
  OR 
   (( segid "    " and resid 74   and name HE1 ))
 )
      3.800     1.800     1.800 peak  2339 weight  0.10000E+01 volume  0.16000E+00 ppm1      4.298 ppm2      6.934
 ASSI (
   (( segid "    " and resid 28   and name HA3 ))
 )(
   (( segid "    " and resid 74   and name HD2 ))
  OR 
   (( segid "    " and resid 74   and name HD1 ))
  OR 
   (( segid "    " and resid 36   and name HE3 ))
 )
      3.800     1.800     1.800 peak  2341 weight  0.10000E+01 volume  0.15100E+00 ppm1      4.293 ppm2      7.187
 ASSI (
   (( segid "    " and resid 28   and name HA2 ))
 )(
   (( segid "    " and resid 74   and name HD2 ))
  OR 
   (( segid "    " and resid 74   and name HD1 ))
  OR 
   (( segid "    " and resid 36   and name HE3 ))
 )
      3.500     1.500     1.500 peak  2342 weight  0.10000E+01 volume  0.23800E+00 ppm1      4.196 ppm2      7.196
 ASSI (
   (( segid "    " and resid 109  and name HB2 ))
  OR 
   (( segid "    " and resid 101  and name HG2 ))
 )(
   (( segid "    " and resid 102  and name H   ))
  OR 
   (( segid "    " and resid 14   and name H   ))
 )
      3.000     1.100     1.100 peak  2361 weight  0.10000E+01 volume  0.23200E+00 ppm1      2.013 ppm2      8.857
 ASSI (
   (( segid "    " and resid 109  and name HB2 ))
  OR 
   (( segid "    " and resid 101  and name HG2 ))
 )(
   (( segid "    " and resid 100  and name HA  ))
  OR 
   (( segid "    " and resid 87   and name HA  ))
 )
      3.100     1.200     1.200 peak  2363 weight  0.10000E+01 volume  0.29200E+00 ppm1      2.012 ppm2      4.904
 ASSI (
   (( segid "    " and resid 101  and name HG3 ))
 )(
   (( segid "    " and resid 102  and name HA  ))
  OR 
   (( segid "    " and resid 101  and name HA  ))
 )
      3.000     1.100     1.100 peak  2365 weight  0.10000E+01 volume  0.32800E+00 ppm1      2.184 ppm2      4.242
 ASSI (
   (( segid "    " and resid 101  and name HG2 ))
  OR 
   (( segid "    " and resid 66   and name HG2 ))
  OR 
   (( segid "    " and resid 62   and name HG2 ))
 )(
   (( segid "    " and resid 102  and name HA  ))
  OR 
   (( segid "    " and resid 101  and name HA  ))
  OR 
   (( segid "    " and resid 70   and name HA  ))
  OR 
   (( segid "    " and resid 65   and name HB  ))
 )
      2.700     0.900     0.900 peak  2366 weight  0.10000E+01 volume  0.59800E+00 ppm1      2.011 ppm2      4.242
 ASSI (
   (( segid "    " and resid 101  and name HG2 ))
  OR 
   (( segid "    " and resid 66   and name HG2 ))
  OR 
   (( segid "    " and resid 62   and name HG2 ))
  OR 
   (( segid "    " and resid 4    and name HG3 ))
  OR 
   (( segid "    " and resid 4    and name HG2 ))
 )(
   (( segid "    " and resid 101  and name HD2 ))
  OR 
   (( segid "    " and resid 66   and name HD3 ))
  OR 
   (( segid "    " and resid 62   and name HD3 ))
  OR 
   (( segid "    " and resid 4    and name HD3 ))
 )
      1.900     0.500     0.500 peak  2371 weight  0.10000E+01 volume  0.38640E+01 ppm1      2.018 ppm2      3.826
 ASSI (
   (( segid "    " and resid 62   and name HG2 ))
  OR 
   (( segid "    " and resid 4    and name HG3 ))
  OR 
   (( segid "    " and resid 4    and name HG2 ))
 )(
   (( segid "    " and resid 62   and name HD2 ))
  OR 
   (( segid "    " and resid 4    and name HD2 ))
 )
      2.000     0.500     0.500 peak  2372 weight  0.10000E+01 volume  0.25340E+01 ppm1      2.020 ppm2      3.658
 ASSI (
   (( segid "    " and resid 66   and name HG3 ))
  OR 
   (( segid "    " and resid 62   and name HG3 ))
 )(
   (( segid "    " and resid 66   and name HD3 ))
  OR 
   (( segid "    " and resid 62   and name HD3 ))
 )
      2.300     0.700     0.700 peak  2375 weight  0.10000E+01 volume  0.95800E+00 ppm1      1.933 ppm2      3.826
 ASSI (
   (( segid "    " and resid 66   and name HG3 ))
  OR 
   (( segid "    " and resid 62   and name HG3 ))
 )(
   (( segid "    " and resid 66   and name HD2 ))
  OR 
   (( segid "    " and resid 62   and name HD2 ))
 )
      2.500     0.800     0.800 peak  2376 weight  0.10000E+01 volume  0.74000E+00 ppm1      1.932 ppm2      3.651
 ASSI (
   (( segid "    " and resid 66   and name HG3 ))
  OR 
   (( segid "    " and resid 62   and name HG3 ))
 )(
   (( segid "    " and resid 66   and name HA  ))
  OR 
   (( segid "    " and resid 62   and name HA  ))
  OR 
   (( segid "    " and resid 61   and name HA  ))
 )
      3.000     1.100     1.100 peak  2377 weight  0.10000E+01 volume  0.36000E+00 ppm1      1.935 ppm2      4.423
 ASSI (
   (( segid "    " and resid 66   and name HG2 ))
  OR 
   (( segid "    " and resid 62   and name HG2 ))
  OR 
   (( segid "    " and resid 4    and name HG3 ))
  OR 
   (( segid "    " and resid 4    and name HG2 ))
 )(
   (( segid "    " and resid 67   and name HA  ))
  OR 
   (( segid "    " and resid 66   and name HA  ))
  OR 
   (( segid "    " and resid 62   and name HA  ))
  OR 
   (( segid "    " and resid 61   and name HA  ))
  OR 
   (( segid "    " and resid 4    and name HA  ))
 )
      2.300     0.700     0.700 peak  2379 weight  0.10000E+01 volume  0.14670E+01 ppm1      2.027 ppm2      4.425
 ASSI (
   (( segid "    " and resid 60   and name HG3 ))
  OR 
   (( segid "    " and resid 60   and name HG2 ))
 )(
   (( segid "    " and resid 61   and name HA  ))
  OR 
   (( segid "    " and resid 59   and name HA  ))
 )
      2.600     0.800     0.800 peak  2380 weight  0.10000E+01 volume  0.87400E+00 ppm1      1.997 ppm2      4.468
 ASSI (
   (( segid "    " and resid 95   and name HG3 ))
 )(
   (( segid "    " and resid 95   and name HB2 ))
  OR 
   (( segid "    " and resid 35   and name HB2 ))
 )
      2.100     0.600     0.600 peak  2382 weight  0.10000E+01 volume  0.17600E+01 ppm1      2.139 ppm2      1.884
 ASSI (
   (( segid "    " and resid 95   and name HG2 ))
 )(
   (( segid "    " and resid 95   and name HG3 ))
  OR 
   (( segid "    " and resid 95   and name HB3 ))
 )
      1.600     0.300     0.600 peak  2383 weight  0.10000E+01 volume  0.81970E+01 ppm1      1.716 ppm2      2.127
 ASSI (
   (( segid "    " and resid 95   and name HG3 ))
 )(
   (( segid "    " and resid 42   and name HG13))
  OR 
   (( segid "    " and resid 42   and name HG12))
  OR 
   (( segid "    " and resid 42   and name HG11))
 )
      3.400     1.400     1.400 peak  2384 weight  0.10000E+01 volume  0.21700E+00 ppm1      2.144 ppm2      0.855
 ASSI (
   (( segid "    " and resid 95   and name HG2 ))
 )(
   (( segid "    " and resid 95   and name HD2 ))
  OR 
   (( segid "    " and resid 95   and name HA  ))
 )
      2.300     0.700     0.700 peak  2386 weight  0.10000E+01 volume  0.12040E+01 ppm1      1.714 ppm2      3.802
 ASSI (
   (( segid "    " and resid 95   and name HG2 ))
 )(
   (( segid "    " and resid 95   and name HB2 ))
  OR 
   (( segid "    " and resid 35   and name HB2 ))
 )
      2.100     0.600     0.600 peak  2389 weight  0.10000E+01 volume  0.16350E+01 ppm1      1.717 ppm2      1.880
 ASSI (
   (( segid "    " and resid 60   and name HG3 ))
  OR 
   (( segid "    " and resid 60   and name HG2 ))
 )(
   (( segid "    " and resid 60   and name HD2 ))
 )
      2.000     0.500     0.500 peak  2390 weight  0.10000E+01 volume  0.23490E+01 ppm1      1.995 ppm2      3.654
 ASSI (
   (( segid "    " and resid 60   and name HG3 ))
  OR 
   (( segid "    " and resid 60   and name HG2 ))
 )(
   (( segid "    " and resid 60   and name HB3 ))
 )
      2.000     0.500     0.500 peak  2392 weight  0.10000E+01 volume  0.26310E+01 ppm1      1.997 ppm2      2.315
 ASSI (
   (( segid "    " and resid 60   and name HG3 ))
  OR 
   (( segid "    " and resid 60   and name HG2 ))
 )(
   (( segid "    " and resid 58   and name HE2 ))
  OR 
   (( segid "    " and resid 58   and name HE1 ))
 )
      3.000     1.100     1.100 peak  2393 weight  0.10000E+01 volume  0.44200E+00 ppm1      1.991 ppm2      6.469
 ASSI (
   (( segid "    " and resid 60   and name HG3 ))
  OR 
   (( segid "    " and resid 60   and name HG2 ))
 )(
   (( segid "    " and resid 60   and name HA  ))
 )
      2.800     1.000     1.000 peak  2394 weight  0.10000E+01 volume  0.48500E+00 ppm1      1.994 ppm2      4.342
 ASSI (
   (( segid "    " and resid 102  and name HB3 ))
  OR 
   (( segid "    " and resid 102  and name HB2 ))
 )(
   (( segid "    " and resid 102  and name HG3 ))
  OR 
   (( segid "    " and resid 102  and name HG2 ))
 )
      2.000     0.500     0.500 peak  2395 weight  0.10000E+01 volume  0.27510E+01 ppm1      2.084 ppm2      2.276
 ASSI (
   (( segid "    " and resid 38   and name HG2 ))
 )(
   (( segid "    " and resid 38   and name HD3 ))
  OR 
   (( segid "    " and resid 38   and name HD2 ))
 )
      2.500     0.800     0.800 peak  2401 weight  0.10000E+01 volume  0.73500E+00 ppm1      1.756 ppm2      2.391
 ASSI (
   (( segid "    " and resid 38   and name HG2 ))
 )(
   (( segid "    " and resid 41   and name HD2 ))
  OR 
   (( segid "    " and resid 41   and name HD1 ))
 )
      2.900     1.100     1.100 peak  2412 weight  0.10000E+01 volume  0.46500E+00 ppm1      1.990 ppm2      7.245
 ASSI (
   (( segid "    " and resid 38   and name HG2 ))
 )(
   (( segid "    " and resid 89   and name H   ))
  OR 
   (( segid "    " and resid 39   and name H   ))
 )
      3.000     1.100     1.100 peak  2414 weight  0.10000E+01 volume  0.21400E+00 ppm1      1.993 ppm2      8.666
 ASSI (
   (( segid "    " and resid 80   and name HG3 ))
 )(
   (( segid "    " and resid 16   and name HG23))
  OR 
   (( segid "    " and resid 16   and name HG22))
  OR 
   (( segid "    " and resid 16   and name HG21))
 )
      2.700     0.900     0.900 peak  2424 weight  0.10000E+01 volume  0.74900E+00 ppm1      2.242 ppm2      1.093
 ASSI (
   (( segid "    " and resid 80   and name HG3 ))
 )(
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 18   and name HG23))
  OR 
   (( segid "    " and resid 18   and name HG22))
  OR 
   (( segid "    " and resid 18   and name HG21))
  OR 
   (( segid "    " and resid 18   and name HG13))
  OR 
   (( segid "    " and resid 18   and name HG12))
  OR 
   (( segid "    " and resid 18   and name HG11))
 )
      2.300     0.700     0.700 peak  2425 weight  0.10000E+01 volume  0.23590E+01 ppm1      2.245 ppm2      0.842
 ASSI (
   (( segid "    " and resid 80   and name HG3 ))
 )(
   (( segid "    " and resid 79   and name HA  ))
  OR 
   (( segid "    " and resid 17   and name HA  ))
 )
      3.300     1.400     1.400 peak  2429 weight  0.10000E+01 volume  0.19600E+00 ppm1      2.241 ppm2      5.493
 ASSI (
   (( segid "    " and resid 80   and name HG2 ))
 )(
   (( segid "    " and resid 79   and name HA  ))
  OR 
   (( segid "    " and resid 17   and name HA  ))
 )
      3.100     1.200     1.200 peak  2431 weight  0.10000E+01 volume  0.27500E+00 ppm1      1.772 ppm2      5.494
 ASSI (
   (( segid "    " and resid 105  and name HG3 ))
 )(
   (( segid "    " and resid 91   and name HA  ))
  OR 
   (( segid "    " and resid 38   and name HA  ))
 )
      3.200     1.300     1.300 peak  2432 weight  0.10000E+01 volume  0.22900E+00 ppm1      1.772 ppm2      5.175
 ASSI (
   (( segid "    " and resid 105  and name HG3 ))
 )(
   (( segid "    " and resid 105  and name HD3 ))
  OR 
   (( segid "    " and resid 105  and name HD2 ))
 )
      2.200     0.600     0.600 peak  2435 weight  0.10000E+01 volume  0.15010E+01 ppm1      1.763 ppm2      3.162
 ASSI (
   (( segid "    " and resid 80   and name HG2 ))
 )(
   (( segid "    " and resid 16   and name HG23))
  OR 
   (( segid "    " and resid 16   and name HG22))
  OR 
   (( segid "    " and resid 16   and name HG21))
 )
      2.500     0.800     0.800 peak  2438 weight  0.10000E+01 volume  0.13760E+01 ppm1      1.780 ppm2      1.088
 ASSI (
   (( segid "    " and resid 105  and name HG3 ))
  OR 
   (( segid "    " and resid 80   and name HG2 ))
 )(
   (( segid "    " and resid 112  and name HG23))
  OR 
   (( segid "    " and resid 112  and name HG22))
  OR 
   (( segid "    " and resid 112  and name HG21))
  OR 
   (( segid "    " and resid 91   and name HG23))
  OR 
   (( segid "    " and resid 91   and name HG22))
  OR 
   (( segid "    " and resid 91   and name HG21))
 )
      2.400     0.700     0.700 peak  2439 weight  0.10000E+01 volume  0.16360E+01 ppm1      1.777 ppm2      0.876
 ASSI (
   (( segid "    " and resid 80   and name HG2 ))
 )(
   (( segid "    " and resid 110  and name HD23))
  OR 
   (( segid "    " and resid 110  and name HD22))
  OR 
   (( segid "    " and resid 110  and name HD21))
  OR 
   (( segid "    " and resid 110  and name HD13))
  OR 
   (( segid "    " and resid 110  and name HD12))
  OR 
   (( segid "    " and resid 110  and name HD11))
 )
      2.500     0.800     0.800 peak  2440 weight  0.10000E+01 volume  0.14160E+01 ppm1      1.776 ppm2      0.738
 ASSI (
   (( segid "    " and resid 102  and name HB3 ))
  OR 
   (( segid "    " and resid 102  and name HB2 ))
 )(
   (( segid "    " and resid 102  and name H   ))
 )
      2.200     0.600     0.600 peak  2443 weight  0.10000E+01 volume  0.12510E+01 ppm1      2.057 ppm2      8.857
 ASSI (
   (( segid "    " and resid 50   and name HB3 ))
  OR 
   (( segid "    " and resid 50   and name HB2 ))
 )(
   (( segid "    " and resid 49   and name HB2 ))
 )
      2.600     0.800     0.800 peak  2445 weight  0.10000E+01 volume  0.51500E+00 ppm1      2.019 ppm2      3.296
 ASSI (
   (( segid "    " and resid 50   and name HB3 ))
  OR 
   (( segid "    " and resid 50   and name HB2 ))
 )(
   (( segid "    " and resid 82   and name HE3 ))
  OR 
   (( segid "    " and resid 82   and name HE2 ))
 )
      2.900     1.100     1.100 peak  2446 weight  0.10000E+01 volume  0.29800E+00 ppm1      2.016 ppm2      2.956
 ASSI (
   (( segid "    " and resid 50   and name HB3 ))
  OR 
   (( segid "    " and resid 50   and name HB2 ))
 )(
   (( segid "    " and resid 50   and name HG3 ))
  OR 
   (( segid "    " and resid 50   and name HG2 ))
 )
      1.900     0.500     0.500 peak  2447 weight  0.10000E+01 volume  0.30030E+01 ppm1      2.016 ppm2      2.284
 ASSI (
   (( segid "    " and resid 50   and name HB3 ))
  OR 
   (( segid "    " and resid 50   and name HB2 ))
 )(
   (( segid "    " and resid 50   and name H   ))
 )
      2.200     0.600     0.600 peak  2448 weight  0.10000E+01 volume  0.13320E+01 ppm1      2.016 ppm2      8.599
 ASSI (
   (( segid "    " and resid 50   and name HB3 ))
  OR 
   (( segid "    " and resid 50   and name HB2 ))
 )(
   (( segid "    " and resid 51   and name H   ))
 )
      2.700     0.900     0.900 peak  2449 weight  0.10000E+01 volume  0.37900E+00 ppm1      2.018 ppm2      7.589
 ASSI (
   (( segid "    " and resid 83   and name HG2 ))
 )(
   (( segid "    " and resid 83   and name HD3 ))
  OR 
   (( segid "    " and resid 83   and name HD2 ))
 )
      2.200     0.600     0.600 peak  2450 weight  0.10000E+01 volume  0.15270E+01 ppm1      1.725 ppm2      3.227
 ASSI (
   (( segid "    " and resid 79   and name HD3 ))
  OR 
   (( segid "    " and resid 79   and name HD2 ))
 )(
   (( segid "    " and resid 19   and name HA3 ))
 )
      2.800     1.000     1.000 peak  2453 weight  0.10000E+01 volume  0.46300E+00 ppm1      1.501 ppm2      4.261
 ASSI (
   (( segid "    " and resid 83   and name HG3 ))
 )(
   (( segid "    " and resid 83   and name H   ))
  OR 
   (( segid "    " and resid 18   and name H   ))
 )
      2.800     1.000     1.000 peak  2454 weight  0.10000E+01 volume  0.35400E+00 ppm1      1.503 ppm2      8.719
 ASSI (
   (( segid "    " and resid 83   and name HG3 ))
 )(
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 18   and name HG23))
  OR 
   (( segid "    " and resid 18   and name HG22))
  OR 
   (( segid "    " and resid 18   and name HG21))
  OR 
   (( segid "    " and resid 18   and name HG13))
  OR 
   (( segid "    " and resid 18   and name HG12))
  OR 
   (( segid "    " and resid 18   and name HG11))
 )
      2.500     0.800     0.800 peak  2457 weight  0.10000E+01 volume  0.12000E+01 ppm1      1.505 ppm2      0.794
 ASSI (
   (( segid "    " and resid 83   and name HG2 ))
  OR 
   (( segid "    " and resid 82   and name HD2 ))
 )(
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 51   and name HD13))
  OR 
   (( segid "    " and resid 51   and name HD12))
  OR 
   (( segid "    " and resid 51   and name HD11))
  OR 
   (( segid "    " and resid 18   and name HG23))
  OR 
   (( segid "    " and resid 18   and name HG22))
  OR 
   (( segid "    " and resid 18   and name HG21))
  OR 
   (( segid "    " and resid 18   and name HG13))
  OR 
   (( segid "    " and resid 18   and name HG12))
  OR 
   (( segid "    " and resid 18   and name HG11))
 )
      2.600     0.800     0.800 peak  2458 weight  0.10000E+01 volume  0.11210E+01 ppm1      1.727 ppm2      0.788
 ASSI (
   (( segid "    " and resid 113  and name HD3 ))
  OR 
   (( segid "    " and resid 113  and name HD2 ))
 )(
   (( segid "    " and resid 113  and name HA  ))
 )
      2.500     0.800     0.800 peak  2463 weight  0.10000E+01 volume  0.95400E+00 ppm1      1.631 ppm2      4.269
 ASSI (
   (( segid "    " and resid 51   and name HG13))
 )(
   (( segid "    " and resid 51   and name HG23))
  OR 
   (( segid "    " and resid 51   and name HG22))
  OR 
   (( segid "    " and resid 51   and name HG21))
 )
      2.600     0.800     0.800 peak  2465 weight  0.10000E+01 volume  0.11250E+01 ppm1      1.475 ppm2      0.292
 ASSI (
   (( segid "    " and resid 51   and name HG13))
 )(
   (( segid "    " and resid 50   and name HG3 ))
  OR 
   (( segid "    " and resid 50   and name HG2 ))
 )
      2.700     0.900     0.900 peak  2469 weight  0.10000E+01 volume  0.37300E+00 ppm1      1.478 ppm2      2.292
 ASSI (
   (( segid "    " and resid 81   and name HG3 ))
  OR 
   (( segid "    " and resid 81   and name HG2 ))
 )(
   (( segid "    " and resid 81   and name HD2 ))
 )
      1.900     0.500     0.500 peak  2471 weight  0.10000E+01 volume  0.35790E+01 ppm1      1.574 ppm2      3.048
 ASSI (
   (( segid "    " and resid 81   and name HG3 ))
  OR 
   (( segid "    " and resid 81   and name HG2 ))
 )(
   (( segid "    " and resid 81   and name HA  ))
 )
      2.400     0.700     0.700 peak  2472 weight  0.10000E+01 volume  0.11650E+01 ppm1      1.575 ppm2      4.417
 ASSI (
   (( segid "    " and resid 81   and name HG3 ))
  OR 
   (( segid "    " and resid 81   and name HG2 ))
 )(
   (( segid "    " and resid 81   and name HE  ))
 )
      2.900     1.100     1.100 peak  2473 weight  0.10000E+01 volume  0.26000E+00 ppm1      1.573 ppm2      7.248
 ASSI (
   (( segid "    " and resid 81   and name HG3 ))
  OR 
   (( segid "    " and resid 81   and name HG2 ))
 )(
   (( segid "    " and resid 53   and name H   ))
 )
      2.800     1.000     1.000 peak  2474 weight  0.10000E+01 volume  0.30800E+00 ppm1      1.573 ppm2      8.436
 ASSI (
   (( segid "    " and resid 81   and name HG3 ))
  OR 
   (( segid "    " and resid 81   and name HG2 ))
 )(
   (( segid "    " and resid 81   and name H   ))
 )
      2.500     0.800     0.800 peak  2475 weight  0.10000E+01 volume  0.69400E+00 ppm1      1.577 ppm2      8.979
 ASSI (
   (( segid "    " and resid 81   and name HG3 ))
  OR 
   (( segid "    " and resid 81   and name HG2 ))
 )(
   (( segid "    " and resid 81   and name HB3 ))
  OR 
   (( segid "    " and resid 53   and name HG3 ))
 )
      2.000     0.500     0.500 peak  2478 weight  0.10000E+01 volume  0.22610E+01 ppm1      1.574 ppm2      1.986
 ASSI (
   (( segid "    " and resid 47   and name HG  ))
 )(
   (( segid "    " and resid 47   and name HD23))
  OR 
   (( segid "    " and resid 47   and name HD22))
  OR 
   (( segid "    " and resid 47   and name HD21))
  OR 
   (( segid "    " and resid 47   and name HD13))
  OR 
   (( segid "    " and resid 47   and name HD12))
  OR 
   (( segid "    " and resid 47   and name HD11))
 )
      2.400     0.700     0.700 peak  2484 weight  0.10000E+01 volume  0.15830E+01 ppm1      1.667 ppm2      0.880
 ASSI (
   (( segid "    " and resid 104  and name HB2 ))
  OR 
   (( segid "    " and resid 36   and name HB3 ))
 )(
   (( segid "    " and resid 106  and name HD2 ))
  OR 
   (( segid "    " and resid 106  and name HD1 ))
  OR 
   (( segid "    " and resid 36   and name HH2 ))
 )
      3.400     1.400     1.400 peak  2488 weight  0.10000E+01 volume  0.18400E+00 ppm1      1.974 ppm2      6.729
 ASSI (
   (( segid "    " and resid 104  and name HB2 ))
  OR 
   (( segid "    " and resid 53   and name HB2 ))
  OR 
   (( segid "    " and resid 36   and name HB3 ))
 )(
   (( segid "    " and resid 106  and name HD2 ))
  OR 
   (( segid "    " and resid 106  and name HD1 ))
  OR 
   (( segid "    " and resid 48   and name H   ))
  OR 
   (( segid "    " and resid 36   and name HH2 ))
 )
      3.700     1.700     1.700 peak  2490 weight  0.10000E+01 volume  0.10400E+00 ppm1      1.954 ppm2      6.719
 ASSI (
   (( segid "    " and resid 104  and name HB2 ))
  OR 
   (( segid "    " and resid 36   and name HB3 ))
 )(
   (( segid "    " and resid 92   and name H   ))
 )
      3.000     1.100     1.100 peak  2494 weight  0.10000E+01 volume  0.21900E+00 ppm1      1.974 ppm2      8.112
 ASSI (
   (( segid "    " and resid 104  and name HB2 ))
  OR 
   (( segid "    " and resid 36   and name HB3 ))
 )(
   (( segid "    " and resid 104  and name HG3 ))
  OR 
   (( segid "    " and resid 104  and name HG2 ))
  OR 
   (( segid "    " and resid 74   and name HB3 ))
 )
      2.300     0.700     0.700 peak  2499 weight  0.10000E+01 volume  0.96700E+00 ppm1      1.975 ppm2      2.447
 ASSI (
   (( segid "    " and resid 104  and name HB3 ))
 )(
   (( segid "    " and resid 104  and name HG3 ))
  OR 
   (( segid "    " and resid 104  and name HG2 ))
 )
      2.300     0.700     0.700 peak  2500 weight  0.10000E+01 volume  0.10180E+01 ppm1      2.045 ppm2      2.461
 ASSI (
   (( segid "    " and resid 53   and name HB2 ))
 )(
   (( segid "    " and resid 53   and name HG2 ))
  OR 
   (( segid "    " and resid 53   and name HB3 ))
 )
      1.900     0.500     0.500 peak  2503 weight  0.10000E+01 volume  0.33430E+01 ppm1      1.921 ppm2      2.187
 ASSI (
   (( segid "    " and resid 42   and name HB  ))
 )(
   (( segid "    " and resid 99   and name HG12))
  OR 
   (( segid "    " and resid 42   and name HG23))
  OR 
   (( segid "    " and resid 42   and name HG22))
  OR 
   (( segid "    " and resid 42   and name HG21))
  OR 
   (( segid "    " and resid 37   and name HG22))
 )
      2.300     0.700     0.700 peak  2505 weight  0.10000E+01 volume  0.19040E+01 ppm1      2.037 ppm2      1.021
 ASSI (
   (( segid "    " and resid 42   and name HB  ))
 )(
   (( segid "    " and resid 42   and name HG13))
  OR 
   (( segid "    " and resid 42   and name HG12))
  OR 
   (( segid "    " and resid 42   and name HG11))
 )
      2.200     0.600     0.600 peak  2506 weight  0.10000E+01 volume  0.28260E+01 ppm1      2.038 ppm2      0.859
 ASSI (
   (( segid "    " and resid 97   and name HB3 ))
  OR 
   (( segid "    " and resid 97   and name HB2 ))
 )(
   (( segid "    " and resid 97   and name HA  ))
 )
      2.200     0.600     0.600 peak  2511 weight  0.10000E+01 volume  0.19970E+01 ppm1      1.733 ppm2      4.259
 ASSI (
   (( segid "    " and resid 97   and name HB3 ))
  OR 
   (( segid "    " and resid 97   and name HB2 ))
 )(
   (( segid "    " and resid 100  and name HE3 ))
  OR 
   (( segid "    " and resid 100  and name HE2 ))
 )
      2.700     0.900     0.900 peak  2512 weight  0.10000E+01 volume  0.38200E+00 ppm1      1.735 ppm2      2.839
 ASSI (
   (( segid "    " and resid 97   and name HB3 ))
  OR 
   (( segid "    " and resid 97   and name HB2 ))
 )(
   (( segid "    " and resid 97   and name HG3 ))
  OR 
   (( segid "    " and resid 97   and name HG2 ))
 )
      1.900     0.500     0.500 peak  2513 weight  0.10000E+01 volume  0.30860E+01 ppm1      1.734 ppm2      2.074
 ASSI (
   (( segid "    " and resid 97   and name HB3 ))
  OR 
   (( segid "    " and resid 97   and name HB2 ))
 )(
   (( segid "    " and resid 94   and name HB2 ))
 )
      2.500     0.800     0.800 peak  2514 weight  0.10000E+01 volume  0.73700E+00 ppm1      1.734 ppm2      1.176
 ASSI (
   (( segid "    " and resid 97   and name HB3 ))
  OR 
   (( segid "    " and resid 97   and name HB2 ))
 )(
   (( segid "    " and resid 99   and name HD13))
  OR 
   (( segid "    " and resid 94   and name HB3 ))
 )
      2.600     0.800     0.800 peak  2515 weight  0.10000E+01 volume  0.48600E+00 ppm1      1.727 ppm2      0.947
 ASSI (
   (( segid "    " and resid 97   and name HB3 ))
  OR 
   (( segid "    " and resid 97   and name HB2 ))
 )(
   (( segid "    " and resid 98   and name H   ))
 )
      2.600     0.800     0.800 peak  2516 weight  0.10000E+01 volume  0.54800E+00 ppm1      1.735 ppm2      7.388
 ASSI (
   (( segid "    " and resid 97   and name HB3 ))
  OR 
   (( segid "    " and resid 97   and name HB2 ))
 )(
   (( segid "    " and resid 97   and name H   ))
 )
      2.300     0.700     0.700 peak  2517 weight  0.10000E+01 volume  0.11550E+01 ppm1      1.732 ppm2      7.057
 ASSI (
   (( segid "    " and resid 83   and name HB3 ))
 )(
   (( segid "    " and resid 83   and name HD3 ))
  OR 
   (( segid "    " and resid 83   and name HD2 ))
 )
      2.500     0.800     0.800 peak  2521 weight  0.10000E+01 volume  0.69500E+00 ppm1      1.750 ppm2      3.224
 ASSI (
   (( segid "    " and resid 83   and name HB3 ))
  OR 
   (( segid "    " and resid 81   and name HB2 ))
 )(
   (( segid "    " and resid 84   and name H   ))
  OR 
   (( segid "    " and resid 81   and name H   ))
 )
      2.300     0.700     0.700 peak  2523 weight  0.10000E+01 volume  0.10930E+01 ppm1      1.731 ppm2      8.988
 ASSI (
   (( segid "    " and resid 81   and name HB2 ))
 )(
   (( segid "    " and resid 81   and name HG3 ))
  OR 
   (( segid "    " and resid 81   and name HG2 ))
 )
      2.000     0.500     0.500 peak  2529 weight  0.10000E+01 volume  0.25200E+01 ppm1      1.709 ppm2      1.565
 ASSI (
   (( segid "    " and resid 81   and name HB3 ))
 )(
   (( segid "    " and resid 81   and name HG3 ))
  OR 
   (( segid "    " and resid 81   and name HG2 ))
 )
      2.100     0.600     0.600 peak  2532 weight  0.10000E+01 volume  0.18100E+01 ppm1      1.999 ppm2      1.563
 ASSI (
   (( segid "    " and resid 66   and name HB2 ))
  OR 
   (( segid "    " and resid 62   and name HB2 ))
  OR 
   (( segid "    " and resid 4    and name HB2 ))
 )(
   (( segid "    " and resid 66   and name HA  ))
  OR 
   (( segid "    " and resid 62   and name HA  ))
  OR 
   (( segid "    " and resid 4    and name HA  ))
 )
      2.300     0.700     0.700 peak  2536 weight  0.10000E+01 volume  0.15800E+01 ppm1      1.917 ppm2      4.408
 ASSI (
   (( segid "    " and resid 66   and name HB3 ))
  OR 
   (( segid "    " and resid 62   and name HB3 ))
 )(
   (( segid "    " and resid 67   and name H   ))
  OR 
   (( segid "    " and resid 63   and name H   ))
 )
      2.800     1.000     1.000 peak  2540 weight  0.10000E+01 volume  0.36200E+00 ppm1      2.293 ppm2      8.368
 ASSI (
   (( segid "    " and resid 66   and name HB2 ))
  OR 
   (( segid "    " and resid 62   and name HB2 ))
  OR 
   (( segid "    " and resid 18   and name HB  ))
 )(
   (( segid "    " and resid 67   and name H   ))
  OR 
   (( segid "    " and resid 63   and name H   ))
  OR 
   (( segid "    " and resid 19   and name H   ))
 )
      2.600     0.800     0.800 peak  2543 weight  0.10000E+01 volume  0.51000E+00 ppm1      1.918 ppm2      8.370
 ASSI (
   (( segid "    " and resid 62   and name HB3 ))
  OR 
   (( segid "    " and resid 4    and name HB3 ))
 )(
   (( segid "    " and resid 62   and name HA  ))
  OR 
   (( segid "    " and resid 4    and name HA  ))
 )
      2.200     0.600     0.600 peak  2549 weight  0.10000E+01 volume  0.20040E+01 ppm1      2.259 ppm2      4.416
 ASSI (
   (( segid "    " and resid 66   and name HB3 ))
  OR 
   (( segid "    " and resid 62   and name HB3 ))
  OR 
   (( segid "    " and resid 4    and name HB3 ))
 )(
   (( segid "    " and resid 66   and name HA  ))
  OR 
   (( segid "    " and resid 62   and name HA  ))
  OR 
   (( segid "    " and resid 4    and name HA  ))
 )
      2.200     0.600     0.600 peak  2550 weight  0.10000E+01 volume  0.24020E+01 ppm1      2.290 ppm2      4.391
 ASSI (
   (( segid "    " and resid 62   and name HB3 ))
  OR 
   (( segid "    " and resid 4    and name HB3 ))
 )(
   (( segid "    " and resid 62   and name HD3 ))
  OR 
   (( segid "    " and resid 4    and name HD3 ))
 )
      2.600     0.800     0.800 peak  2553 weight  0.10000E+01 volume  0.54400E+00 ppm1      2.261 ppm2      3.830
 ASSI (
   (( segid "    " and resid 39   and name HB  ))
 )(
   (( segid "    " and resid 39   and name HG23))
  OR 
   (( segid "    " and resid 39   and name HG22))
  OR 
   (( segid "    " and resid 39   and name HG21))
  OR 
   (( segid "    " and resid 39   and name HG13))
  OR 
   (( segid "    " and resid 39   and name HG12))
  OR 
   (( segid "    " and resid 39   and name HG11))
 )
      2.100     0.600     0.600 peak  2556 weight  0.10000E+01 volume  0.34200E+01 ppm1      2.027 ppm2      0.928
 ASSI (
   (( segid "    " and resid 95   and name HB3 ))
 )(
   (( segid "    " and resid 42   and name HG13))
  OR 
   (( segid "    " and resid 42   and name HG12))
  OR 
   (( segid "    " and resid 42   and name HG11))
 )
      2.800     1.000     1.000 peak  2558 weight  0.10000E+01 volume  0.60700E+00 ppm1      2.086 ppm2      0.855
 ASSI (
   (( segid "    " and resid 101  and name HB2 ))
  OR 
   (( segid "    " and resid 95   and name HB2 ))
 )(
   (( segid "    " and resid 103  and name H   ))
  OR 
   (( segid "    " and resid 96   and name H   ))
 )
      2.800     1.000     1.000 peak  2561 weight  0.10000E+01 volume  0.32100E+00 ppm1      1.884 ppm2      7.802
 ASSI (
   (( segid "    " and resid 95   and name HB3 ))
 )(
   (( segid "    " and resid 96   and name H   ))
  OR 
   (( segid "    " and resid 42   and name H   ))
 )
      2.900     1.100     1.100 peak  2562 weight  0.10000E+01 volume  0.27200E+00 ppm1      2.089 ppm2      7.793
 ASSI (
   (( segid "    " and resid 39   and name HB  ))
 )(
   (( segid "    " and resid 41   and name H   ))
  OR 
   (( segid "    " and resid 39   and name H   ))
 )
      2.200     0.600     0.600 peak  2563 weight  0.10000E+01 volume  0.12850E+01 ppm1      2.029 ppm2      8.666
 ASSI (
   (( segid "    " and resid 23   and name HB3 ))
  OR 
   (( segid "    " and resid 23   and name HB2 ))
 )(
   (( segid "    " and resid 23   and name HA  ))
 )
      2.500     0.800     0.800 peak  2565 weight  0.10000E+01 volume  0.10230E+01 ppm1      1.771 ppm2      5.283
 ASSI (
   (( segid "    " and resid 83   and name HB3 ))
  OR 
   (( segid "    " and resid 23   and name HB3 ))
  OR 
   (( segid "    " and resid 23   and name HB2 ))
 )(
   (( segid "    " and resid 83   and name H   ))
  OR 
   (( segid "    " and resid 23   and name H   ))
 )
      2.100     0.600     0.600 peak  2568 weight  0.10000E+01 volume  0.20590E+01 ppm1      1.760 ppm2      8.726
 ASSI (
   (( segid "    " and resid 23   and name HB3 ))
  OR 
   (( segid "    " and resid 23   and name HB2 ))
 )(
   (( segid "    " and resid 77   and name HD13))
  OR 
   (( segid "    " and resid 77   and name HD12))
  OR 
   (( segid "    " and resid 77   and name HD11))
 )
      2.200     0.600     0.600 peak  2569 weight  0.10000E+01 volume  0.24400E+01 ppm1      1.786 ppm2      0.730
 ASSI (
   (( segid "    " and resid 95   and name HB2 ))
  OR 
   (( segid "    " and resid 60   and name HB2 ))
 )(
   (( segid "    " and resid 94   and name HE  ))
  OR 
   (( segid "    " and resid 58   and name HE2 ))
  OR 
   (( segid "    " and resid 58   and name HE1 ))
 )
      3.400     1.400     1.400 peak  2570 weight  0.10000E+01 volume  0.16600E+00 ppm1      1.849 ppm2      6.450
 ASSI (
   (( segid "    " and resid 60   and name HB3 ))
 )(
   (( segid "    " and resid 58   and name HE2 ))
  OR 
   (( segid "    " and resid 58   and name HE1 ))
 )
      3.200     1.300     1.300 peak  2571 weight  0.10000E+01 volume  0.28100E+00 ppm1      2.318 ppm2      6.466
 ASSI (
   (( segid "    " and resid 75   and name HB  ))
  OR 
   (( segid "    " and resid 60   and name HB2 ))
 )(
   (( segid "    " and resid 75   and name HA  ))
  OR 
   (( segid "    " and resid 60   and name HA  ))
 )
      2.400     0.700     0.700 peak  2572 weight  0.10000E+01 volume  0.13750E+01 ppm1      1.860 ppm2      4.313
 ASSI (
   (( segid "    " and resid 60   and name HB2 ))
 )(
   (( segid "    " and resid 62   and name HD2 ))
  OR 
   (( segid "    " and resid 60   and name HD2 ))
 )
      2.600     0.800     0.800 peak  2576 weight  0.10000E+01 volume  0.51600E+00 ppm1      1.858 ppm2      3.660
 ASSI (
   (( segid "    " and resid 67   and name HG2 ))
  OR 
   (( segid "    " and resid 1    and name HG3 ))
  OR 
   (( segid "    " and resid 1    and name HG2 ))
 )(
   (( segid "    " and resid 67   and name HA  ))
  OR 
   (( segid "    " and resid 1    and name HA  ))
 )
      3.200     1.300     1.300 peak  2579 weight  0.10000E+01 volume  0.23500E+00 ppm1      2.515 ppm2      4.463
 ASSI (
   (( segid "    " and resid 1    and name HG3 ))
  OR 
   (( segid "    " and resid 1    and name HG2 ))
 )(
   (( segid "    " and resid 0    and name H   ))
  OR 
   (( segid "    " and resid -1   and name H   ))
 )
      3.700     1.700     1.700 peak  2581 weight  0.10000E+01 volume  0.67000E-01 ppm1      2.573 ppm2      8.675
 ASSI (
   (( segid "    " and resid 80   and name HB3 ))
  OR 
   (( segid "    " and resid 44   and name HB2 ))
 )(
   (( segid "    " and resid 52   and name HA  ))
  OR 
   (( segid "    " and resid 45   and name HA  ))
  OR 
   (( segid "    " and resid 44   and name HA  ))
 )
      2.500     0.800     0.800 peak  2583 weight  0.10000E+01 volume  0.89900E+00 ppm1      2.186 ppm2      4.603
 ASSI (
   (( segid "    " and resid 46   and name HB  ))
  OR 
   (( segid "    " and resid 44   and name HB2 ))
 )(
   (( segid "    " and resid 45   and name H   ))
 )
      2.600     0.800     0.800 peak  2588 weight  0.10000E+01 volume  0.49000E+00 ppm1      2.186 ppm2      8.515
 ASSI (
   (( segid "    " and resid 46   and name HB  ))
  OR 
   (( segid "    " and resid 44   and name HB2 ))
 )(
   (( segid "    " and resid 47   and name H   ))
  OR 
   (( segid "    " and resid 43   and name H   ))
 )
      3.100     1.200     1.200 peak  2590 weight  0.10000E+01 volume  0.19300E+00 ppm1      2.185 ppm2      8.865
 ASSI (
   (( segid "    " and resid 46   and name HB  ))
  OR 
   (( segid "    " and resid 44   and name HB2 ))
 )(
   (( segid "    " and resid 44   and name HE3 ))
  OR 
   (( segid "    " and resid 44   and name HE2 ))
  OR 
   (( segid "    " and resid 41   and name HB2 ))
 )
      3.000     1.100     1.100 peak  2594 weight  0.10000E+01 volume  0.21300E+00 ppm1      2.197 ppm2      2.972
 ASSI (
   (( segid "    " and resid 44   and name HB3 ))
 )(
   (( segid "    " and resid 44   and name HE3 ))
  OR 
   (( segid "    " and resid 44   and name HE2 ))
 )
      3.000     1.100     1.100 peak  2595 weight  0.10000E+01 volume  0.23100E+00 ppm1      2.094 ppm2      2.976
 ASSI (
   (( segid "    " and resid 46   and name HB  ))
  OR 
   (( segid "    " and resid 44   and name HB2 ))
 )(
   (( segid "    " and resid 46   and name H   ))
 )
      2.100     0.600     0.600 peak  2596 weight  0.10000E+01 volume  0.18130E+01 ppm1      2.177 ppm2      7.627
 ASSI (
   (( segid "    " and resid 70   and name HB  ))
 )(
   (( segid "    " and resid 70   and name HG23))
  OR 
   (( segid "    " and resid 70   and name HG22))
  OR 
   (( segid "    " and resid 70   and name HG21))
  OR 
   (( segid "    " and resid 70   and name HG13))
  OR 
   (( segid "    " and resid 70   and name HG12))
  OR 
   (( segid "    " and resid 70   and name HG11))
 )
      2.100     0.600     0.600 peak  2600 weight  0.10000E+01 volume  0.36370E+01 ppm1      2.189 ppm2      0.966
 ASSI (
   (( segid "    " and resid 80   and name HB3 ))
 )(
   (( segid "    " and resid 110  and name HD13))
  OR 
   (( segid "    " and resid 110  and name HD12))
  OR 
   (( segid "    " and resid 110  and name HD11))
  OR 
   (( segid "    " and resid 52   and name HD13))
  OR 
   (( segid "    " and resid 52   and name HD12))
  OR 
   (( segid "    " and resid 52   and name HD11))
 )
      2.600     0.800     0.800 peak  2601 weight  0.10000E+01 volume  0.10550E+01 ppm1      2.176 ppm2      0.730
 ASSI (
   (( segid "    " and resid 80   and name HB3 ))
  OR 
   (( segid "    " and resid 44   and name HB2 ))
 )(
   (( segid "    " and resid 112  and name HG23))
  OR 
   (( segid "    " and resid 112  and name HG22))
  OR 
   (( segid "    " and resid 112  and name HG21))
  OR 
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 47   and name HD13))
  OR 
   (( segid "    " and resid 47   and name HD11))
 )
      2.400     0.700     0.700 peak  2602 weight  0.10000E+01 volume  0.15230E+01 ppm1      2.178 ppm2      0.854
 ASSI (
   (( segid "    " and resid 80   and name HB3 ))
  OR 
   (( segid "    " and resid 44   and name HB2 ))
 )(
   (( segid "    " and resid 80   and name HG2 ))
  OR 
   (( segid "    " and resid 44   and name HD2 ))
 )
      2.300     0.700     0.700 peak  2603 weight  0.10000E+01 volume  0.10220E+01 ppm1      2.179 ppm2      1.779
 ASSI (
   (( segid "    " and resid 80   and name HB2 ))
 )(
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 18   and name HG22))
  OR 
   (( segid "    " and resid 18   and name HG13))
  OR 
   (( segid "    " and resid 18   and name HG12))
  OR 
   (( segid "    " and resid 18   and name HG11))
 )
      2.400     0.700     0.700 peak  2607 weight  0.10000E+01 volume  0.15660E+01 ppm1      1.991 ppm2      0.847
 ASSI (
   (( segid "    " and resid 80   and name HB3 ))
  OR 
   (( segid "    " and resid 44   and name HB2 ))
 )(
   (( segid "    " and resid 80   and name HD2 ))
  OR 
   (( segid "    " and resid 41   and name HA  ))
 )
      2.900     1.100     1.100 peak  2610 weight  0.10000E+01 volume  0.31900E+00 ppm1      2.183 ppm2      4.475
 ASSI (
   (( segid "    " and resid 113  and name HB2 ))
 )(
   (( segid "    " and resid 113  and name HE3 ))
  OR 
   (( segid "    " and resid 113  and name HE2 ))
 )
      3.000     1.100     1.100 peak  2620 weight  0.10000E+01 volume  0.21700E+00 ppm1      1.902 ppm2      2.897
 ASSI (
   (( segid "    " and resid 113  and name HB3 ))
 )(
   (( segid "    " and resid 113  and name HE3 ))
  OR 
   (( segid "    " and resid 113  and name HE2 ))
 )
      3.300     1.400     1.400 peak  2621 weight  0.10000E+01 volume  0.13500E+00 ppm1      1.475 ppm2      2.907
 ASSI (
   (( segid "    " and resid 113  and name HB3 ))
 )(
   (( segid "    " and resid 113  and name HG3 ))
  OR 
   (( segid "    " and resid 113  and name HG2 ))
 )
      2.000     0.500     0.500 peak  2626 weight  0.10000E+01 volume  0.23700E+01 ppm1      1.475 ppm2      1.322
 ASSI (
   (( segid "    " and resid 113  and name HB2 ))
  OR 
   (( segid "    " and resid 27   and name HB2 ))
 )(
   (( segid "    " and resid 113  and name H   ))
  OR 
   (( segid "    " and resid 28   and name H   ))
 )
      2.300     0.700     0.700 peak  2628 weight  0.10000E+01 volume  0.11230E+01 ppm1      1.902 ppm2      8.357
 ASSI (
   (( segid "    " and resid 70   and name HB  ))
  OR 
   (( segid "    " and resid 7    and name HB  ))
 )(
   (( segid "    " and resid 70   and name HG23))
  OR 
   (( segid "    " and resid 70   and name HG22))
  OR 
   (( segid "    " and resid 70   and name HG21))
  OR 
   (( segid "    " and resid 70   and name HG13))
  OR 
   (( segid "    " and resid 70   and name HG12))
  OR 
   (( segid "    " and resid 70   and name HG11))
  OR 
   (( segid "    " and resid 7    and name HG23))
  OR 
   (( segid "    " and resid 7    and name HG22))
  OR 
   (( segid "    " and resid 7    and name HG21))
  OR 
   (( segid "    " and resid 7    and name HG13))
  OR 
   (( segid "    " and resid 7    and name HG12))
  OR 
   (( segid "    " and resid 7    and name HG11))
 )
      2.300     0.700     0.700 peak  2632 weight  0.10000E+01 volume  0.21500E+01 ppm1      2.151 ppm2      0.992
 ASSI (
   (( segid "    " and resid 68   and name HB  ))
 )(
   (( segid "    " and resid 68   and name HG23))
  OR 
   (( segid "    " and resid 68   and name HG22))
  OR 
   (( segid "    " and resid 68   and name HG21))
  OR 
   (( segid "    " and resid 68   and name HG13))
  OR 
   (( segid "    " and resid 68   and name HG12))
  OR 
   (( segid "    " and resid 68   and name HG11))
 )
      2.200     0.600     0.600 peak  2635 weight  0.10000E+01 volume  0.28950E+01 ppm1      2.070 ppm2      0.952
 ASSI (
   (( segid "    " and resid 1    and name HB3 ))
  OR 
   (( segid "    " and resid 1    and name HB2 ))
 )(
   (( segid "    " and resid 1    and name HA  ))
 )
      2.600     0.800     0.800 peak  2638 weight  0.10000E+01 volume  0.77300E+00 ppm1      2.094 ppm2      4.442
 ASSI (
   (( segid "    " and resid 20   and name HB2 ))
  OR 
   (( segid "    " and resid 8    and name HB3 ))
 )(
   (( segid "    " and resid 20   and name HD3 ))
  OR 
   (( segid "    " and resid 8    and name HG3 ))
  OR 
   (( segid "    " and resid 8    and name HG2 ))
 )
      2.200     0.600     0.600 peak  2640 weight  0.10000E+01 volume  0.15110E+01 ppm1      1.891 ppm2      1.459
 ASSI (
   (( segid "    " and resid 8    and name HB2 ))
 )(
   (( segid "    " and resid 8    and name HG3 ))
  OR 
   (( segid "    " and resid 8    and name HG2 ))
 )
      2.400     0.700     0.700 peak  2641 weight  0.10000E+01 volume  0.90600E+00 ppm1      1.790 ppm2      1.459
 ASSI (
   (( segid "    " and resid 20   and name HB2 ))
  OR 
   (( segid "    " and resid 8    and name HB3 ))
 )(
   (( segid "    " and resid 17   and name HB3 ))
  OR 
   (( segid "    " and resid 9    and name HB2 ))
 )
      3.200     1.300     1.300 peak  2642 weight  0.10000E+01 volume  0.14600E+00 ppm1      1.886 ppm2      2.749
 ASSI (
   (( segid "    " and resid 75   and name HB  ))
  OR 
   (( segid "    " and resid 20   and name HB2 ))
 )(
   (( segid "    " and resid 74   and name HB2 ))
  OR 
   (( segid "    " and resid 25   and name HB2 ))
  OR 
   (( segid "    " and resid 17   and name HB3 ))
 )
      3.200     1.300     1.300 peak  2644 weight  0.10000E+01 volume  0.16400E+00 ppm1      1.904 ppm2      2.753
 ASSI (
   (( segid "    " and resid 75   and name HB  ))
  OR 
   (( segid "    " and resid 20   and name HB2 ))
 )(
   (( segid "    " and resid 75   and name H   ))
  OR 
   (( segid "    " and resid 17   and name H   ))
 )
      2.300     0.700     0.700 peak  2663 weight  0.10000E+01 volume  0.11550E+01 ppm1      1.879 ppm2      8.838
 ASSI (
   (( segid "    " and resid 76   and name HB  ))
 )(
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
  OR 
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
 )
      2.100     0.600     0.600 peak  2665 weight  0.10000E+01 volume  0.38200E+01 ppm1      1.727 ppm2      0.561
 ASSI (
   (( segid "    " and resid 100  and name HB2 ))
 )(
   (( segid "    " and resid 100  and name HG3 ))
  OR 
   (( segid "    " and resid 100  and name HG2 ))
  OR 
   (( segid "    " and resid 100  and name HB3 ))
 )
      1.800     0.400     0.400 peak  2673 weight  0.10000E+01 volume  0.41660E+01 ppm1      2.088 ppm2      1.464
 ASSI (
   (( segid "    " and resid 100  and name HB2 ))
 )(
   (( segid "    " and resid 101  and name HD3 ))
  OR 
   (( segid "    " and resid 101  and name HD2 ))
 )
      2.300     0.700     0.700 peak  2675 weight  0.10000E+01 volume  0.10500E+01 ppm1      2.081 ppm2      3.832
 ASSI (
   (( segid "    " and resid 100  and name HB3 ))
 )(
   (( segid "    " and resid 103  and name H   ))
  OR 
   (( segid "    " and resid 100  and name H   ))
 )
      2.400     0.700     0.700 peak  2682 weight  0.10000E+01 volume  0.93000E+00 ppm1      1.513 ppm2      7.741
 ASSI (
   (( segid "    " and resid 100  and name HB2 ))
 )(
   (( segid "    " and resid 103  and name HD22))
  OR 
   (( segid "    " and resid 103  and name H   ))
  OR 
   (( segid "    " and resid 100  and name H   ))
 )
      2.700     0.900     0.900 peak  2683 weight  0.10000E+01 volume  0.44200E+00 ppm1      2.085 ppm2      7.761
 ASSI (
   (( segid "    " and resid 1    and name HB3 ))
  OR 
   (( segid "    " and resid 1    and name HB2 ))
 )(
   (( segid "    " and resid 2    and name H   ))
 )
      2.900     1.100     1.100 peak  2684 weight  0.10000E+01 volume  0.29500E+00 ppm1      2.077 ppm2      8.298
 ASSI (
   (( segid "    " and resid 78   and name HB  ))
 )(
   (( segid "    " and resid 22   and name HG23))
  OR 
   (( segid "    " and resid 22   and name HG22))
  OR 
   (( segid "    " and resid 22   and name HG21))
  OR 
   (( segid "    " and resid 21   and name HG23))
  OR 
   (( segid "    " and resid 21   and name HG21))
  OR 
   (( segid "    " and resid 16   and name HG23))
  OR 
   (( segid "    " and resid 16   and name HG22))
  OR 
   (( segid "    " and resid 16   and name HG21))
 )
      3.100     1.200     1.200 peak  2688 weight  0.10000E+01 volume  0.32700E+00 ppm1      1.834 ppm2      1.075
 ASSI (
   (( segid "    " and resid 78   and name HB  ))
 )(
   (( segid "    " and resid 110  and name HD13))
  OR 
   (( segid "    " and resid 110  and name HD12))
  OR 
   (( segid "    " and resid 110  and name HD11))
  OR 
   (( segid "    " and resid 78   and name HG13))
  OR 
   (( segid "    " and resid 78   and name HG12))
  OR 
   (( segid "    " and resid 78   and name HG11))
 )
      2.000     0.500     0.500 peak  2689 weight  0.10000E+01 volume  0.53760E+01 ppm1      1.830 ppm2      0.775
 ASSI (
   (( segid "    " and resid 78   and name HB  ))
 )(
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
  OR 
   (( segid "    " and resid 54   and name HG13))
  OR 
   (( segid "    " and resid 54   and name HG12))
  OR 
   (( segid "    " and resid 54   and name HG11))
  OR 
   (( segid "    " and resid 24   and name HD13))
  OR 
   (( segid "    " and resid 24   and name HD12))
  OR 
   (( segid "    " and resid 24   and name HD11))
 )
      2.900     1.100     1.100 peak  2690 weight  0.10000E+01 volume  0.54000E+00 ppm1      1.828 ppm2      0.556
 ASSI (
   (( segid "    " and resid 54   and name HB  ))
 )(
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 54   and name HG13))
  OR 
   (( segid "    " and resid 54   and name HG12))
  OR 
   (( segid "    " and resid 54   and name HG11))
 )
      2.000     0.500     0.500 peak  2693 weight  0.10000E+01 volume  0.45850E+01 ppm1      1.563 ppm2      0.559
 ASSI (
   (( segid "    " and resid 54   and name HB  ))
 )(
   (( segid "    " and resid 52   and name HB3 ))
  OR 
   (( segid "    " and resid 47   and name HD23))
  OR 
   (( segid "    " and resid 47   and name HD22))
  OR 
   (( segid "    " and resid 47   and name HD21))
  OR 
   (( segid "    " and resid 47   and name HD13))
  OR 
   (( segid "    " and resid 47   and name HD12))
  OR 
   (( segid "    " and resid 47   and name HD11))
 )
      2.800     1.000     1.000 peak  2695 weight  0.10000E+01 volume  0.59200E+00 ppm1      1.559 ppm2      0.864
 ASSI (
   (( segid "    " and resid 54   and name HB  ))
 )(
   (( segid "    " and resid 53   and name HA  ))
  OR 
   (( segid "    " and resid 48   and name HA  ))
  OR 
   (( segid "    " and resid 37   and name HA  ))
 )
      3.200     1.300     1.300 peak  2696 weight  0.10000E+01 volume  0.23700E+00 ppm1      1.557 ppm2      4.562
 ASSI (
   (( segid "    " and resid 54   and name HB  ))
 )(
   (( segid "    " and resid 55   and name HA  ))
  OR 
   (( segid "    " and resid 47   and name HA  ))
 )
      3.200     1.300     1.300 peak  2697 weight  0.10000E+01 volume  0.24400E+00 ppm1      1.551 ppm2      4.264
 ASSI (
   (( segid "    " and resid 12   and name HB3 ))
  OR 
   (( segid "    " and resid 12   and name HB2 ))
 )(
   (( segid "    " and resid 12   and name HG3 ))
 )
      2.300     0.700     0.700 peak  2700 weight  0.10000E+01 volume  0.96500E+00 ppm1      1.753 ppm2      1.442
 ASSI (
   (( segid "    " and resid 12   and name HB3 ))
  OR 
   (( segid "    " and resid 12   and name HB2 ))
 )(
   (( segid "    " and resid 12   and name HG2 ))
 )
      2.400     0.700     0.700 peak  2703 weight  0.10000E+01 volume  0.90500E+00 ppm1      1.706 ppm2      1.222
 ASSI (
   (( segid "    " and resid 12   and name HB3 ))
  OR 
   (( segid "    " and resid 12   and name HB2 ))
 )(
   (( segid "    " and resid 108  and name HA  ))
  OR 
   (( segid "    " and resid 12   and name HA  ))
 )
      2.500     0.800     0.800 peak  2704 weight  0.10000E+01 volume  0.10230E+01 ppm1      1.754 ppm2      4.687
 ASSI (
   (( segid "    " and resid 12   and name HB3 ))
  OR 
   (( segid "    " and resid 12   and name HB2 ))
 )(
   (( segid "    " and resid 12   and name HA  ))
 )
      2.500     0.800     0.800 peak  2705 weight  0.10000E+01 volume  0.97800E+00 ppm1      1.710 ppm2      4.686
 ASSI (
   (( segid "    " and resid 12   and name HB3 ))
  OR 
   (( segid "    " and resid 12   and name HB2 ))
 )(
   (( segid "    " and resid 108  and name HD23))
  OR 
   (( segid "    " and resid 108  and name HD22))
  OR 
   (( segid "    " and resid 108  and name HD21))
  OR 
   (( segid "    " and resid 14   and name HG23))
  OR 
   (( segid "    " and resid 14   and name HG21))
  OR 
   (( segid "    " and resid 14   and name HG13))
  OR 
   (( segid "    " and resid 14   and name HG12))
  OR 
   (( segid "    " and resid 14   and name HG11))
 )
      2.700     0.900     0.900 peak  2708 weight  0.10000E+01 volume  0.79700E+00 ppm1      1.710 ppm2      0.871
 ASSI (
   (( segid "    " and resid 41   and name HB2 ))
 )(
   (( segid "    " and resid 95   and name HG3 ))
  OR 
   (( segid "    " and resid 46   and name HB  ))
  OR 
   (( segid "    " and resid 44   and name HB2 ))
  OR 
   (( segid "    " and resid 35   and name HG2 ))
 )
      3.100     1.200     1.200 peak  2709 weight  0.10000E+01 volume  0.19300E+00 ppm1      2.974 ppm2      2.173
 ASSI (
   (( segid "    " and resid 42   and name HG13))
  OR 
   (( segid "    " and resid 42   and name HG12))
  OR 
   (( segid "    " and resid 42   and name HG11))
 )(
   (( segid "    " and resid 96   and name H   ))
  OR 
   (( segid "    " and resid 42   and name H   ))
 )
      3.000     1.100     1.100 peak  2710 weight  0.10000E+01 volume  0.43700E+00 ppm1      0.858 ppm2      7.789
 ASSI (
   (( segid "    " and resid 112  and name HG23))
  OR 
   (( segid "    " and resid 112  and name HG22))
  OR 
   (( segid "    " and resid 112  and name HG21))
  OR 
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 42   and name HG13))
  OR 
   (( segid "    " and resid 42   and name HG12))
  OR 
   (( segid "    " and resid 42   and name HG11))
 )(
   (( segid "    " and resid 43   and name H   ))
  OR 
   (( segid "    " and resid 16   and name H   ))
 )
      2.700     0.900     0.900 peak  2711 weight  0.10000E+01 volume  0.75500E+00 ppm1      0.858 ppm2      8.870
 ASSI (
   (( segid "    " and resid 42   and name HG13))
  OR 
   (( segid "    " and resid 42   and name HG12))
  OR 
   (( segid "    " and resid 42   and name HG11))
 )(
   (( segid "    " and resid 98   and name HA3 ))
  OR 
   (( segid "    " and resid 93   and name HB  ))
  OR 
   (( segid "    " and resid 41   and name HB3 ))
  OR 
   (( segid "    " and resid 39   and name HA  ))
 )
      3.200     1.300     1.300 peak  2712 weight  0.10000E+01 volume  0.33700E+00 ppm1      0.857 ppm2      3.492
 ASSI (
   (( segid "    " and resid 42   and name HG13))
  OR 
   (( segid "    " and resid 42   and name HG12))
  OR 
   (( segid "    " and resid 42   and name HG11))
 )(
   (( segid "    " and resid 98   and name HA2 ))
  OR 
   (( segid "    " and resid 43   and name HA2 ))
 )
      3.400     1.400     1.400 peak  2713 weight  0.10000E+01 volume  0.31600E+00 ppm1      0.860 ppm2      4.190
 ASSI (
   (( segid "    " and resid 82   and name HD2 ))
  OR 
   (( segid "    " and resid 44   and name HD2 ))
 )(
   (( segid "    " and resid 82   and name HE3 ))
  OR 
   (( segid "    " and resid 82   and name HE2 ))
  OR 
   (( segid "    " and resid 44   and name HE3 ))
  OR 
   (( segid "    " and resid 44   and name HE2 ))
 )
      2.500     0.800     0.800 peak  2716 weight  0.10000E+01 volume  0.67800E+00 ppm1      1.772 ppm2      3.000
 ASSI (
   (( segid "    " and resid 27   and name HD3 ))
  OR 
   (( segid "    " and resid 27   and name HD2 ))
  OR 
   (( segid "    " and resid 8    and name HD3 ))
  OR 
   (( segid "    " and resid 8    and name HD2 ))
 )(
   (( segid "    " and resid 27   and name HE3 ))
  OR 
   (( segid "    " and resid 27   and name HE2 ))
  OR 
   (( segid "    " and resid 8    and name HE3 ))
  OR 
   (( segid "    " and resid 8    and name HE2 ))
 )
      1.900     0.500     0.500 peak  2718 weight  0.10000E+01 volume  0.37110E+01 ppm1      1.710 ppm2      3.006
 ASSI (
   (( segid "    " and resid 105  and name HG3 ))
  OR 
   (( segid "    " and resid 105  and name HG2 ))
 )(
   (( segid "    " and resid 10   and name HB2 ))
 )
      2.100     0.600     0.600 peak  2719 weight  0.10000E+01 volume  0.19850E+01 ppm1      1.724 ppm2      3.001
 ASSI (
   (( segid "    " and resid 105  and name HG3 ))
  OR 
   (( segid "    " and resid 105  and name HG2 ))
 )(
   (( segid "    " and resid 105  and name HD3 ))
  OR 
   (( segid "    " and resid 105  and name HD2 ))
 )
      2.300     0.700     0.700 peak  2724 weight  0.10000E+01 volume  0.10830E+01 ppm1      1.718 ppm2      3.164
 ASSI (
   (( segid "    " and resid 51   and name HA  ))
 )(
   (( segid "    " and resid 82   and name HE3 ))
  OR 
   (( segid "    " and resid 82   and name HE2 ))
 )
      3.200     1.300     1.300 peak  2730 weight  0.10000E+01 volume  0.21100E+00 ppm1      3.818 ppm2      2.996
 ASSI (
   (( segid "    " and resid 111  and name HB2 ))
 )(
   (( segid "    " and resid 112  and name H   ))
  OR 
   (( segid "    " and resid 86   and name H   ))
  OR 
   (( segid "    " and resid 15   and name H   ))
  OR 
   (( segid "    " and resid 14   and name H   ))
 )
      3.000     1.100     1.100 peak  2736 weight  0.10000E+01 volume  0.22300E+00 ppm1      2.749 ppm2      8.789
 ASSI (
   (( segid "    " and resid 111  and name HB3 ))
 )(
   (( segid "    " and resid 112  and name H   ))
  OR 
   (( segid "    " and resid 15   and name H   ))
 )
      3.200     1.300     1.300 peak  2744 weight  0.10000E+01 volume  0.14700E+00 ppm1      3.371 ppm2      8.742
 ASSI (
   (( segid "    " and resid 12   and name HG2 ))
 )(
   (( segid "    " and resid 108  and name HD23))
  OR 
   (( segid "    " and resid 108  and name HD22))
  OR 
   (( segid "    " and resid 108  and name HD21))
  OR 
   (( segid "    " and resid 108  and name HD13))
  OR 
   (( segid "    " and resid 108  and name HD12))
  OR 
   (( segid "    " and resid 14   and name HG13))
  OR 
   (( segid "    " and resid 14   and name HG12))
  OR 
   (( segid "    " and resid 14   and name HG11))
 )
      2.800     1.000     1.000 peak  2752 weight  0.10000E+01 volume  0.69000E+00 ppm1      1.229 ppm2      0.856
 ASSI (
   (( segid "    " and resid 41   and name HD2 ))
  OR 
   (( segid "    " and resid 41   and name HD1 ))
 )(
   (( segid "    " and resid 38   and name HD3 ))
  OR 
   (( segid "    " and resid 38   and name HD2 ))
 )
      3.000     1.100     1.100 peak  2757 weight  0.10000E+01 volume  0.42900E+00 ppm1      7.252 ppm2      2.387
 ASSI (
   (( segid "    " and resid 41   and name HD2 ))
  OR 
   (( segid "    " and resid 41   and name HD1 ))
 )(
   (( segid "    " and resid 38   and name HB3 ))
 )
      3.200     1.300     1.300 peak  2758 weight  0.10000E+01 volume  0.28800E+00 ppm1      7.257 ppm2      1.201
 ASSI (
   (( segid "    " and resid 15   and name HB3 ))
  OR 
   (( segid "    " and resid 15   and name HB2 ))
 )(
   (( segid "    " and resid 14   and name HA  ))
 )
      2.900     1.100     1.100 peak  2762 weight  0.10000E+01 volume  0.39300E+00 ppm1      2.664 ppm2      4.583
 ASSI (
   (( segid "    " and resid 92   and name HD2 ))
 )(
   (( segid "    " and resid 92   and name HA  ))
 )
      2.800     1.000     1.000 peak     1 weight  0.10000E+01 volume  0.91900E+00 ppm1      5.720 ppm2      4.379
 ASSI (
   (( segid "    " and resid 92   and name HE2 ))
 )(
   (( segid "    " and resid 35   and name HA  ))
 )
      2.800     1.000     1.000 peak     6 weight  0.10000E+01 volume  0.86800E+00 ppm1      6.085 ppm2      4.565
 ASSI (
   (( segid "    " and resid 34   and name HE2 ))
 )(
   (( segid "    " and resid 93   and name HA  ))
 )
      2.800     1.000     1.000 peak    44 weight  0.10000E+01 volume  0.95200E+00 ppm1      6.600 ppm2      4.568
 ASSI (
   (( segid "    " and resid 36   and name HE3 ))
 )(
   (( segid "    " and resid 36   and name HB2 ))
 )
      3.000     1.100     1.100 peak    62 weight  0.10000E+01 volume  0.44700E+00 ppm1      7.179 ppm2      2.596
 ASSI (
   (( segid "    " and resid 85   and name HD2 ))
 )(
   (( segid "    " and resid 111  and name HA  ))
 )
      3.500     1.500     1.500 peak    67 weight  0.10000E+01 volume  0.23700E+00 ppm1      7.005 ppm2      4.783
 ASSI (
   (( segid "    " and resid 85   and name HD2 ))
 )(
   (( segid "    " and resid 85   and name HA  ))
 )
      3.800     1.800     1.800 peak    68 weight  0.10000E+01 volume  0.15600E+00 ppm1      7.012 ppm2      5.273
 ASSI (
   (( segid "    " and resid 36   and name HE3 ))
 )(
   (( segid "    " and resid 90   and name HB2 ))
 )
      2.600     0.800     0.800 peak    76 weight  0.10000E+01 volume  0.90300E+00 ppm1      7.187 ppm2      1.733
 ASSI (
   (( segid "    " and resid 36   and name HE3 ))
 )(
   (( segid "    " and resid 91   and name H   ))
 )
      3.400     1.400     1.400 peak    79 weight  0.10000E+01 volume  0.20000E+00 ppm1      7.181 ppm2      9.433
 ASSI (
   (( segid "    " and resid 36   and name HE3 ))
 )(
   (( segid "    " and resid 37   and name H   ))
 )
      3.200     1.300     1.300 peak    80 weight  0.10000E+01 volume  0.25400E+00 ppm1      7.183 ppm2      9.084
 ASSI (
   (( segid "    " and resid 25   and name HD2 ))
 )(
   (( segid "    " and resid 75   and name HA  ))
 )
      3.200     1.300     1.300 peak    84 weight  0.10000E+01 volume  0.41900E+00 ppm1      6.900 ppm2      4.311
 ASSI (
   (( segid "    " and resid 25   and name HD2 ))
 )(
   (( segid "    " and resid 23   and name HG2 ))
 )
      2.600     0.800     0.800 peak    86 weight  0.10000E+01 volume  0.97800E+00 ppm1      6.904 ppm2      1.803
 ASSI (
   (( segid "    " and resid 25   and name HA  ))
 )(
   (( segid "    " and resid 25   and name HD2 ))
 )
      3.200     1.300     1.300 peak    87 weight  0.10000E+01 volume  0.44000E+00 ppm1      5.565 ppm2      6.901
 ASSI (
   (( segid "    " and resid 79   and name HA  ))
 )(
   (( segid "    " and resid 21   and name HA  ))
 )
      2.700     0.900     0.900 peak   171 weight  0.10000E+01 volume  0.89000E+00 ppm1      5.501 ppm2      4.791
 ASSI (
   (( segid "    " and resid 25   and name HA  ))
 )(
   (( segid "    " and resid 75   and name HA  ))
 )
      3.100     1.200     1.200 peak   173 weight  0.10000E+01 volume  0.44600E+00 ppm1      5.570 ppm2      4.298
 ASSI (
   (( segid "    " and resid 25   and name HA  ))
 )(
   (( segid "    " and resid 25   and name HB3 ))
 )
      2.700     0.900     0.900 peak   174 weight  0.10000E+01 volume  0.63600E+00 ppm1      5.564 ppm2      3.130
 ASSI (
   (( segid "    " and resid 25   and name HA  ))
 )(
   (( segid "    " and resid 25   and name HB2 ))
 )
      2.700     0.900     0.900 peak   175 weight  0.10000E+01 volume  0.68400E+00 ppm1      5.561 ppm2      2.753
 ASSI (
   (( segid "    " and resid 34   and name HE2 ))
 )(
   (( segid "    " and resid 103  and name HD21))
 )
      2.900     1.100     1.100 peak   180 weight  0.10000E+01 volume  0.63300E+00 ppm1      6.606 ppm2      8.300
 ASSI (
   (( segid "    " and resid 34   and name HE2 ))
 )(
   (( segid "    " and resid 103  and name HD22))
 )
      2.500     0.800     0.800 peak   182 weight  0.10000E+01 volume  0.16440E+01 ppm1      6.608 ppm2      7.769
 ASSI (
   (( segid "    " and resid 36   and name HZ3 ))
 )(
   (( segid "    " and resid 92   and name H   ))
 )
      3.600     1.600     1.600 peak   195 weight  0.10000E+01 volume  0.13700E+00 ppm1      6.579 ppm2      8.125
 ASSI (
   (( segid "    " and resid 36   and name HZ3 ))
 )(
   (( segid "    " and resid 36   and name HE3 ))
 )
      3.000     1.100     1.100 peak   196 weight  0.10000E+01 volume  0.80900E+00 ppm1      6.562 ppm2      7.144
 ASSI (
   (( segid "    " and resid 36   and name HZ3 ))
 )(
   (( segid "    " and resid 105  and name HA  ))
 )
      3.500     1.500     1.500 peak   198 weight  0.10000E+01 volume  0.24500E+00 ppm1      6.571 ppm2      5.367
 ASSI (
   (( segid "    " and resid 36   and name HH2 ))
 )(
   (( segid "    " and resid 36   and name HZ2 ))
 )
      2.600     0.800     0.800 peak   200 weight  0.10000E+01 volume  0.17850E+01 ppm1      6.758 ppm2      7.099
 ASSI (
   (( segid "    " and resid 36   and name HH2 ))
 )(
   (( segid "    " and resid 36   and name HZ3 ))
 )
      2.700     0.900     0.900 peak   201 weight  0.10000E+01 volume  0.14060E+01 ppm1      6.758 ppm2      6.568
 ASSI (
   (( segid "    " and resid 13   and name HH2 ))
 )(
   (( segid "    " and resid 13   and name HE3 ))
 )
      3.500     1.500     1.500 peak   206 weight  0.10000E+01 volume  0.30200E+00 ppm1      6.864 ppm2      7.489
 ASSI (
   (( segid "    " and resid 36   and name HD1 ))
 )(
   (( segid "    " and resid 29   and name H   ))
 )
      3.600     1.600     1.600 peak   208 weight  0.10000E+01 volume  0.14200E+00 ppm1      5.990 ppm2      8.251
 ASSI (
   (( segid "    " and resid 36   and name HD1 ))
 )(
   (( segid "    " and resid 36   and name HB3 ))
 )
      3.000     1.100     1.100 peak   212 weight  0.10000E+01 volume  0.40200E+00 ppm1      5.996 ppm2      1.959
 ASSI (
   (( segid "    " and resid 13   and name HD1 ))
 )(
   (( segid "    " and resid 12   and name HA  ))
 )
      3.400     1.400     1.400 peak   215 weight  0.10000E+01 volume  0.32000E+00 ppm1      7.163 ppm2      4.689
 ASSI (
   (( segid "    " and resid 13   and name HD1 ))
 )(
   (( segid "    " and resid 13   and name HB3 ))
 )
      3.200     1.300     1.300 peak   216 weight  0.10000E+01 volume  0.26900E+00 ppm1      7.160 ppm2      3.058
 ASSI (
   (( segid "    " and resid 92   and name HD2 ))
 )(
   (( segid "    " and resid 36   and name HA  ))
 )
      3.400     1.400     1.400 peak   237 weight  0.10000E+01 volume  0.29000E+00 ppm1      5.729 ppm2      5.146
 ASSI (
   (( segid "    " and resid 36   and name HZ2 ))
 )(
   (( segid "    " and resid 36   and name HE1 ))
 )
      2.400     0.700     0.700 peak   238 weight  0.10000E+01 volume  0.19030E+01 ppm1      7.094 ppm2      9.236
 ASSI (
   (( segid "    " and resid 13   and name HZ2 ))
 )(
   (( segid "    " and resid 13   and name HH2 ))
 )
      2.500     0.800     0.800 peak   241 weight  0.10000E+01 volume  0.21070E+01 ppm1      7.003 ppm2      6.857
 ASSI (
   (( segid "    " and resid 90   and name HA  ))
 )(
   (( segid "    " and resid 91   and name H   ))
 )
      2.300     0.700     0.700 peak   242 weight  0.10000E+01 volume  0.16670E+01 ppm1      5.671 ppm2      9.421
 ASSI (
   (( segid "    " and resid 90   and name HA  ))
 )(
   (( segid "    " and resid 38   and name HA  ))
 )
      2.700     0.900     0.900 peak   245 weight  0.10000E+01 volume  0.88800E+00 ppm1      5.667 ppm2      5.156
 ASSI (
   (( segid "    " and resid 90   and name HA  ))
 )(
   (( segid "    " and resid 90   and name HB3 ))
 )
      3.000     1.100     1.100 peak   252 weight  0.10000E+01 volume  0.32700E+00 ppm1      5.655 ppm2      2.253
 ASSI (
   (( segid "    " and resid 90   and name HA  ))
 )(
   (( segid "    " and resid 90   and name HG  ))
 )
      2.800     1.000     1.000 peak   254 weight  0.10000E+01 volume  0.50400E+00 ppm1      5.668 ppm2      1.549
 ASSI (
   (( segid "    " and resid 90   and name HA  ))
 )(
   (( segid "    " and resid 90   and name H   ))
 )
      3.000     1.100     1.100 peak   255 weight  0.10000E+01 volume  0.36100E+00 ppm1      5.659 ppm2      9.215
 ASSI (
   (( segid "    " and resid 25   and name HA  ))
 )(
   (( segid "    " and resid 76   and name H   ))
 )
      3.200     1.300     1.300 peak   261 weight  0.10000E+01 volume  0.24300E+00 ppm1      5.570 ppm2      9.156
 ASSI (
   (( segid "    " and resid 25   and name HA  ))
 )(
   (( segid "    " and resid 26   and name H   ))
 )
      2.300     0.700     0.700 peak   262 weight  0.10000E+01 volume  0.16770E+01 ppm1      5.560 ppm2      8.924
 ASSI (
   (( segid "    " and resid 79   and name HA  ))
 )(
   (( segid "    " and resid 79   and name H   ))
 )
      2.700     0.900     0.900 peak   264 weight  0.10000E+01 volume  0.67100E+00 ppm1      5.497 ppm2      9.082
 ASSI (
   (( segid "    " and resid 79   and name HA  ))
 )(
   (( segid "    " and resid 79   and name HB3 ))
 )
      2.300     0.700     0.700 peak   268 weight  0.10000E+01 volume  0.18190E+01 ppm1      5.500 ppm2      1.590
 ASSI (
   (( segid "    " and resid 38   and name HA  ))
 )(
   (( segid "    " and resid 39   and name H   ))
 )
      2.300     0.700     0.700 peak   275 weight  0.10000E+01 volume  0.17250E+01 ppm1      5.150 ppm2      8.664
 ASSI (
   (( segid "    " and resid 17   and name HA  ))
 )(
   (( segid "    " and resid 18   and name H   ))
 )
      2.400     0.700     0.700 peak   277 weight  0.10000E+01 volume  0.13350E+01 ppm1      5.512 ppm2      8.694
 ASSI (
   (( segid "    " and resid 17   and name HA  ))
 )(
   (( segid "    " and resid 113  and name H   ))
 )
      2.600     0.800     0.800 peak   278 weight  0.10000E+01 volume  0.71900E+00 ppm1      5.509 ppm2      8.345
 ASSI (
   (( segid "    " and resid 17   and name HA  ))
 )(
   (( segid "    " and resid 112  and name HA  ))
 )
      3.300     1.400     1.400 peak   279 weight  0.10000E+01 volume  0.27600E+00 ppm1      5.516 ppm2      3.737
 ASSI (
   (( segid "    " and resid 17   and name HA  ))
 )(
   (( segid "    " and resid 17   and name HB2 ))
 )
      2.600     0.800     0.800 peak   280 weight  0.10000E+01 volume  0.81600E+00 ppm1      5.514 ppm2      3.363
 ASSI (
   (( segid "    " and resid 17   and name HA  ))
 )(
   (( segid "    " and resid 17   and name HB3 ))
 )
      2.400     0.700     0.700 peak   281 weight  0.10000E+01 volume  0.12120E+01 ppm1      5.510 ppm2      2.737
 ASSI (
   (( segid "    " and resid 15   and name HA  ))
 )(
   (( segid "    " and resid 111  and name H   ))
 )
      2.800     1.000     1.000 peak   283 weight  0.10000E+01 volume  0.52000E+00 ppm1      5.409 ppm2      9.101
 ASSI (
   (( segid "    " and resid 15   and name HA  ))
 )(
   (( segid "    " and resid 16   and name H   ))
 )
      2.300     0.700     0.700 peak   284 weight  0.10000E+01 volume  0.19010E+01 ppm1      5.404 ppm2      8.879
 ASSI (
   (( segid "    " and resid 15   and name HA  ))
 )(
   (( segid "    " and resid 111  and name HB3 ))
 )
      2.500     0.800     0.800 peak   286 weight  0.10000E+01 volume  0.92300E+00 ppm1      5.408 ppm2      3.363
 ASSI (
   (( segid "    " and resid 105  and name HA  ))
 )(
   (( segid "    " and resid 106  and name H   ))
 )
      2.200     0.600     0.600 peak   288 weight  0.10000E+01 volume  0.21400E+01 ppm1      5.371 ppm2      8.462
 ASSI (
   (( segid "    " and resid 105  and name HA  ))
 )(
   (( segid "    " and resid 92   and name H   ))
 )
      3.100     1.200     1.200 peak   289 weight  0.10000E+01 volume  0.29400E+00 ppm1      5.364 ppm2      8.111
 ASSI (
   (( segid "    " and resid 105  and name HA  ))
 )(
   (( segid "    " and resid 91   and name HA  ))
 )
      2.500     0.800     0.800 peak   290 weight  0.10000E+01 volume  0.13930E+01 ppm1      5.369 ppm2      5.198
 ASSI (
   (( segid "    " and resid 105  and name HA  ))
 )(
   (( segid "    " and resid 105  and name HB3 ))
 )
      2.400     0.700     0.700 peak   292 weight  0.10000E+01 volume  0.11830E+01 ppm1      5.368 ppm2      2.099
 ASSI (
   (( segid "    " and resid 23   and name HA  ))
 )(
   (( segid "    " and resid 24   and name H   ))
 )
      2.000     0.500     0.500 peak   294 weight  0.10000E+01 volume  0.36640E+01 ppm1      5.286 ppm2      9.272
 ASSI (
   (( segid "    " and resid 86   and name HA  ))
 )(
   (( segid "    " and resid 86   and name HB3 ))
 )
      2.300     0.700     0.700 peak   299 weight  0.10000E+01 volume  0.18820E+01 ppm1      5.278 ppm2      3.116
 ASSI (
   (( segid "    " and resid 23   and name HA  ))
 )(
   (( segid "    " and resid 23   and name HG3 ))
 )
      2.700     0.900     0.900 peak   302 weight  0.10000E+01 volume  0.64500E+00 ppm1      5.286 ppm2      2.053
 ASSI (
   (( segid "    " and resid 38   and name HA  ))
 )(
   (( segid "    " and resid 38   and name HB3 ))
 )
      3.000     1.100     1.100 peak   314 weight  0.10000E+01 volume  0.34800E+00 ppm1      5.150 ppm2      1.200
 ASSI (
   (( segid "    " and resid 56   and name HA  ))
 )(
   (( segid "    " and resid 76   and name HA  ))
 )
      2.700     0.900     0.900 peak   316 weight  0.10000E+01 volume  0.98400E+00 ppm1      5.356 ppm2      4.931
 ASSI (
   (( segid "    " and resid 56   and name HA  ))
 )(
   (( segid "    " and resid 57   and name H   ))
 )
      2.200     0.600     0.600 peak   320 weight  0.10000E+01 volume  0.22820E+01 ppm1      5.352 ppm2      9.027
 ASSI (
   (( segid "    " and resid 36   and name HA  ))
 )(
   (( segid "    " and resid 37   and name H   ))
 )
      2.200     0.600     0.600 peak   321 weight  0.10000E+01 volume  0.21450E+01 ppm1      5.169 ppm2      9.103
 ASSI (
   (( segid "    " and resid 13   and name HA  ))
 )(
   (( segid "    " and resid 109  and name H   ))
 )
      2.800     1.000     1.000 peak   322 weight  0.10000E+01 volume  0.51100E+00 ppm1      5.140 ppm2      9.156
 ASSI (
   (( segid "    " and resid 13   and name HA  ))
 )(
   (( segid "    " and resid 14   and name H   ))
 )
      2.200     0.600     0.600 peak   323 weight  0.10000E+01 volume  0.20440E+01 ppm1      5.144 ppm2      8.830
 ASSI (
   (( segid "    " and resid 91   and name HA  ))
 )(
   (( segid "    " and resid 92   and name H   ))
 )
      2.300     0.700     0.700 peak   326 weight  0.10000E+01 volume  0.16420E+01 ppm1      5.192 ppm2      8.115
 ASSI (
   (( segid "    " and resid 78   and name HA  ))
 )(
   (( segid "    " and resid 79   and name H   ))
 )
      2.100     0.600     0.600 peak   327 weight  0.10000E+01 volume  0.30400E+01 ppm1      5.086 ppm2      9.056
 ASSI (
   (( segid "    " and resid 78   and name HA  ))
 )(
   (( segid "    " and resid 54   and name HA  ))
 )
      3.000     1.100     1.100 peak   328 weight  0.10000E+01 volume  0.54900E+00 ppm1      5.093 ppm2      4.837
 ASSI (
   (( segid "    " and resid 78   and name HA  ))
 )(
   (( segid "    " and resid 78   and name HB  ))
 )
      2.500     0.800     0.800 peak   334 weight  0.10000E+01 volume  0.98900E+00 ppm1      5.081 ppm2      1.829
 ASSI (
   (( segid "    " and resid 29   and name HA  ))
 )(
   (( segid "    " and resid 30   and name HD3 ))
 )
      2.400     0.700     0.700 peak   337 weight  0.10000E+01 volume  0.12180E+01 ppm1      5.265 ppm2      3.605
 ASSI (
   (( segid "    " and resid 29   and name HA  ))
 )(
   (( segid "    " and resid 30   and name HD2 ))
 )
      2.300     0.700     0.700 peak   339 weight  0.10000E+01 volume  0.15180E+01 ppm1      5.259 ppm2      3.169
 ASSI (
   (( segid "    " and resid 29   and name HA  ))
 )(
   (( segid "    " and resid 29   and name HB2 ))
 )
      2.700     0.900     0.900 peak   340 weight  0.10000E+01 volume  0.70700E+00 ppm1      5.261 ppm2      3.019
 ASSI (
   (( segid "    " and resid 77   and name HA  ))
 )(
   (( segid "    " and resid 78   and name H   ))
 )
      2.200     0.600     0.600 peak   343 weight  0.10000E+01 volume  0.24310E+01 ppm1      5.031 ppm2      9.001
 ASSI (
   (( segid "    " and resid 83   and name HA  ))
 )(
   (( segid "    " and resid 112  and name HB  ))
 )
      2.300     0.700     0.700 peak   346 weight  0.10000E+01 volume  0.18890E+01 ppm1      3.948 ppm2      2.650
 ASSI (
   (( segid "    " and resid 83   and name HA  ))
 )(
   (( segid "    " and resid 83   and name HB2 ))
 )
      2.300     0.700     0.700 peak   347 weight  0.10000E+01 volume  0.15890E+01 ppm1      3.949 ppm2      1.828
 ASSI (
   (( segid "    " and resid 83   and name HA  ))
 )(
   (( segid "    " and resid 83   and name HG3 ))
 )
      2.700     0.900     0.900 peak   349 weight  0.10000E+01 volume  0.62100E+00 ppm1      3.951 ppm2      1.489
 ASSI (
   (( segid "    " and resid 83   and name HA  ))
 )(
   (( segid "    " and resid 84   and name H   ))
 )
      2.500     0.800     0.800 peak   351 weight  0.10000E+01 volume  0.10000E+01 ppm1      3.951 ppm2      8.992
 ASSI (
   (( segid "    " and resid 83   and name HA  ))
 )(
   (( segid "    " and resid 83   and name H   ))
 )
      2.800     1.000     1.000 peak   352 weight  0.10000E+01 volume  0.49800E+00 ppm1      3.954 ppm2      8.739
 ASSI (
   (( segid "    " and resid 34   and name HA  ))
 )(
   (( segid "    " and resid 35   and name H   ))
 )
      2.300     0.700     0.700 peak   353 weight  0.10000E+01 volume  0.15940E+01 ppm1      3.993 ppm2      8.297
 ASSI (
   (( segid "    " and resid 34   and name HA  ))
 )(
   (( segid "    " and resid 94   and name HA  ))
 )
      3.000     1.100     1.100 peak   357 weight  0.10000E+01 volume  0.47400E+00 ppm1      4.000 ppm2      4.745
 ASSI (
   (( segid "    " and resid 34   and name HA  ))
 )(
   (( segid "    " and resid 34   and name HB2 ))
 )
      2.700     0.900     0.900 peak   358 weight  0.10000E+01 volume  0.62600E+00 ppm1      3.989 ppm2      2.080
 ASSI (
   (( segid "    " and resid 34   and name HA  ))
 )(
   (( segid "    " and resid 34   and name HB3 ))
 )
      2.800     1.000     1.000 peak   359 weight  0.10000E+01 volume  0.54400E+00 ppm1      3.999 ppm2      0.598
 ASSI (
   (( segid "    " and resid 34   and name HA  ))
 )(
   (( segid "    " and resid 94   and name HG2 ))
 )
      3.000     1.100     1.100 peak   360 weight  0.10000E+01 volume  0.32300E+00 ppm1      3.992 ppm2      0.293
 ASSI (
   (( segid "    " and resid 34   and name HA  ))
 )(
   (( segid "    " and resid 94   and name HG3 ))
 )
      3.100     1.200     1.200 peak   361 weight  0.10000E+01 volume  0.25300E+00 ppm1      4.002 ppm2      0.125
 ASSI (
   (( segid "    " and resid 35   and name HG2 ))
 )(
   (( segid "    " and resid 35   and name HA  ))
 )
      2.700     0.900     0.900 peak   364 weight  0.10000E+01 volume  0.66900E+00 ppm1      2.160 ppm2      4.554
 ASSI (
   (( segid "    " and resid 53   and name HB2 ))
 )(
   (( segid "    " and resid 53   and name HA  ))
 )
      2.500     0.800     0.800 peak   366 weight  0.10000E+01 volume  0.11200E+01 ppm1      1.927 ppm2      4.534
 ASSI (
   (( segid "    " and resid 53   and name HB3 ))
 )(
   (( segid "    " and resid 53   and name H   ))
 )
      2.600     0.800     0.800 peak   369 weight  0.10000E+01 volume  0.47900E+00 ppm1      2.170 ppm2      8.427
 ASSI (
   (( segid "    " and resid 53   and name HB2 ))
 )(
   (( segid "    " and resid 53   and name H   ))
 )
      2.600     0.800     0.800 peak   370 weight  0.10000E+01 volume  0.52000E+00 ppm1      1.921 ppm2      8.428
 ASSI (
   (( segid "    " and resid 35   and name HG2 ))
 )(
   (( segid "    " and resid 35   and name H   ))
 )
      3.100     1.200     1.200 peak   371 weight  0.10000E+01 volume  0.19500E+00 ppm1      2.162 ppm2      8.306
 ASSI (
   (( segid "    " and resid 30   and name HG3 ))
 )(
   (( segid "    " and resid 30   and name HD3 ))
 )
      2.500     0.800     0.800 peak   376 weight  0.10000E+01 volume  0.61800E+00 ppm1      1.489 ppm2      3.606
 ASSI (
   (( segid "    " and resid 30   and name HG2 ))
 )(
   (( segid "    " and resid 30   and name HD3 ))
 )
      2.500     0.800     0.800 peak   377 weight  0.10000E+01 volume  0.65200E+00 ppm1      1.302 ppm2      3.596
 ASSI (
   (( segid "    " and resid 30   and name HG3 ))
 )(
   (( segid "    " and resid 30   and name HD2 ))
 )
      2.600     0.800     0.800 peak   378 weight  0.10000E+01 volume  0.57400E+00 ppm1      1.490 ppm2      3.170
 ASSI (
   (( segid "    " and resid 30   and name HG2 ))
 )(
   (( segid "    " and resid 30   and name HD2 ))
 )
      2.600     0.800     0.800 peak   379 weight  0.10000E+01 volume  0.57400E+00 ppm1      1.298 ppm2      3.173
 ASSI (
   (( segid "    " and resid 101  and name HD2 ))
 )(
   (( segid "    " and resid 100  and name HA  ))
 )
      2.600     0.800     0.800 peak   382 weight  0.10000E+01 volume  0.72200E+00 ppm1      3.796 ppm2      4.885
 ASSI (
   (( segid "    " and resid 101  and name HD3 ))
 )(
   (( segid "    " and resid 100  and name HA  ))
 )
      2.500     0.800     0.800 peak   383 weight  0.10000E+01 volume  0.94300E+00 ppm1      3.877 ppm2      4.888
 ASSI (
   (( segid "    " and resid 92   and name HB3 ))
 )(
   (( segid "    " and resid 92   and name HB2 ))
 )
      2.100     0.600     0.600 peak   421 weight  0.10000E+01 volume  0.20330E+01 ppm1     -0.201 ppm2      2.215
 ASSI (
   (( segid "    " and resid 92   and name HB3 ))
 )(
   (( segid "    " and resid 92   and name HA  ))
 )
      3.100     1.200     1.200 peak   428 weight  0.10000E+01 volume  0.25700E+00 ppm1     -0.208 ppm2      4.358
 ASSI (
   (( segid "    " and resid 53   and name HG2 ))
 )(
   (( segid "    " and resid 53   and name HA  ))
 )
      2.700     0.900     0.900 peak   433 weight  0.10000E+01 volume  0.61700E+00 ppm1      2.211 ppm2      4.565
 ASSI (
   (( segid "    " and resid 92   and name HB2 ))
 )(
   (( segid "    " and resid 92   and name H   ))
 )
      2.500     0.800     0.800 peak   437 weight  0.10000E+01 volume  0.73500E+00 ppm1      2.213 ppm2      8.120
 ASSI (
   (( segid "    " and resid 94   and name HG3 ))
 )(
   (( segid "    " and resid 94   and name HB3 ))
 )
      2.900     1.100     1.100 peak   439 weight  0.10000E+01 volume  0.27600E+00 ppm1      0.162 ppm2      0.941
 ASSI (
   (( segid "    " and resid 94   and name HG2 ))
 )(
   (( segid "    " and resid 94   and name HB2 ))
 )
      3.000     1.100     1.100 peak   440 weight  0.10000E+01 volume  0.21500E+00 ppm1      0.292 ppm2      1.175
 ASSI (
   (( segid "    " and resid 94   and name HG3 ))
 )(
   (( segid "    " and resid 94   and name HB2 ))
 )
      2.600     0.800     0.800 peak   441 weight  0.10000E+01 volume  0.48100E+00 ppm1      0.157 ppm2      1.171
 ASSI (
   (( segid "    " and resid 94   and name HG3 ))
 )(
   (( segid "    " and resid 94   and name HD3 ))
 )
      2.600     0.800     0.800 peak   444 weight  0.10000E+01 volume  0.47500E+00 ppm1      0.163 ppm2      2.687
 ASSI (
   (( segid "    " and resid 94   and name HG2 ))
 )(
   (( segid "    " and resid 94   and name HD2 ))
 )
      2.500     0.800     0.800 peak   445 weight  0.10000E+01 volume  0.64200E+00 ppm1      0.301 ppm2      2.556
 ASSI (
   (( segid "    " and resid 94   and name HG3 ))
 )(
   (( segid "    " and resid 94   and name HD2 ))
 )
      2.600     0.800     0.800 peak   446 weight  0.10000E+01 volume  0.51300E+00 ppm1      0.163 ppm2      2.563
 ASSI (
   (( segid "    " and resid 94   and name HG2 ))
 )(
   (( segid "    " and resid 94   and name HA  ))
 )
      2.800     1.000     1.000 peak   447 weight  0.10000E+01 volume  0.51400E+00 ppm1      0.297 ppm2      4.738
 ASSI (
   (( segid "    " and resid 94   and name HG3 ))
 )(
   (( segid "    " and resid 94   and name HA  ))
 )
      3.000     1.100     1.100 peak   448 weight  0.10000E+01 volume  0.37100E+00 ppm1      0.153 ppm2      4.735
 ASSI (
   (( segid "    " and resid 94   and name HG2 ))
 )(
   (( segid "    " and resid 94   and name HE  ))
 )
      3.000     1.100     1.100 peak   451 weight  0.10000E+01 volume  0.24300E+00 ppm1      0.297 ppm2      6.394
 ASSI (
   (( segid "    " and resid 94   and name HG3 ))
 )(
   (( segid "    " and resid 94   and name HE  ))
 )
      2.900     1.100     1.100 peak   452 weight  0.10000E+01 volume  0.29500E+00 ppm1      0.151 ppm2      6.413
 ASSI (
   (( segid "    " and resid 94   and name HG2 ))
 )(
   (( segid "    " and resid 94   and name H   ))
 )
      3.100     1.200     1.200 peak   453 weight  0.10000E+01 volume  0.18400E+00 ppm1      0.299 ppm2      8.178
 ASSI (
   (( segid "    " and resid 94   and name HG3 ))
 )(
   (( segid "    " and resid 94   and name H   ))
 )
      3.000     1.100     1.100 peak   454 weight  0.10000E+01 volume  0.22700E+00 ppm1      0.150 ppm2      8.184
 ASSI (
   (( segid "    " and resid 26   and name HG  ))
 )(
   (( segid "    " and resid 26   and name HA  ))
 )
      3.000     1.100     1.100 peak   457 weight  0.10000E+01 volume  0.36700E+00 ppm1      0.433 ppm2      4.485
 ASSI (
   (( segid "    " and resid 26   and name HG  ))
 )(
   (( segid "    " and resid 26   and name H   ))
 )
      2.900     1.100     1.100 peak   458 weight  0.10000E+01 volume  0.29100E+00 ppm1      0.431 ppm2      8.920
 ASSI (
   (( segid "    " and resid 26   and name HB3 ))
 )(
   (( segid "    " and resid 26   and name HA  ))
 )
      2.800     1.000     1.000 peak   498 weight  0.10000E+01 volume  0.52800E+00 ppm1      0.353 ppm2      4.470
 ASSI (
   (( segid "    " and resid 26   and name HB2 ))
 )(
   (( segid "    " and resid 74   and name HB2 ))
 )
      2.900     1.100     1.100 peak   500 weight  0.10000E+01 volume  0.25300E+00 ppm1      0.483 ppm2      2.752
 ASSI (
   (( segid "    " and resid 26   and name HB2 ))
 )(
   (( segid "    " and resid 36   and name HE1 ))
 )
      3.300     1.400     1.400 peak   502 weight  0.10000E+01 volume  0.15500E+00 ppm1      0.493 ppm2      9.242
 ASSI (
   (( segid "    " and resid 26   and name HB2 ))
 )(
   (( segid "    " and resid 26   and name H   ))
 )
      3.000     1.100     1.100 peak   503 weight  0.10000E+01 volume  0.21200E+00 ppm1      0.489 ppm2      8.917
 ASSI (
   (( segid "    " and resid 26   and name HB3 ))
 )(
   (( segid "    " and resid 26   and name H   ))
 )
      3.100     1.200     1.200 peak   504 weight  0.10000E+01 volume  0.18900E+00 ppm1      0.355 ppm2      8.909
 ASSI (
   (( segid "    " and resid 26   and name HB3 ))
 )(
   (( segid "    " and resid 27   and name H   ))
 )
      3.000     1.100     1.100 peak   506 weight  0.10000E+01 volume  0.21900E+00 ppm1      0.368 ppm2      8.717
 ASSI (
   (( segid "    " and resid 26   and name HB2 ))
 )(
   (( segid "    " and resid 26   and name HB3 ))
 )
      2.000     0.500     0.500 peak   507 weight  0.10000E+01 volume  0.26420E+01 ppm1      0.489 ppm2      0.348
 ASSI (
   (( segid "    " and resid 34   and name HB3 ))
 )(
   (( segid "    " and resid 34   and name H   ))
 )
      2.800     1.000     1.000 peak   510 weight  0.10000E+01 volume  0.31200E+00 ppm1      0.587 ppm2      7.297
 ASSI (
   (( segid "    " and resid 34   and name HB2 ))
 )(
   (( segid "    " and resid 34   and name H   ))
 )
      2.600     0.800     0.800 peak   513 weight  0.10000E+01 volume  0.52500E+00 ppm1      2.070 ppm2      7.298
 ASSI (
   (( segid "    " and resid 34   and name HB2 ))
 )(
   (( segid "    " and resid 34   and name HB3 ))
 )
      2.000     0.500     0.500 peak   517 weight  0.10000E+01 volume  0.21930E+01 ppm1      2.072 ppm2      0.591
 ASSI (
   (( segid "    " and resid 52   and name HB3 ))
 )(
   (( segid "    " and resid 52   and name HB2 ))
 )
      2.100     0.600     0.600 peak   687 weight  0.10000E+01 volume  0.19890E+01 ppm1      0.878 ppm2      1.586
 ASSI (
   (( segid "    " and resid 52   and name HB3 ))
 )(
   (( segid "    " and resid 52   and name HA  ))
 )
      2.900     1.100     1.100 peak   688 weight  0.10000E+01 volume  0.45200E+00 ppm1      0.880 ppm2      4.638
 ASSI (
   (( segid "    " and resid 52   and name HB2 ))
 )(
   (( segid "    " and resid 52   and name HA  ))
 )
      3.100     1.200     1.200 peak   693 weight  0.10000E+01 volume  0.25300E+00 ppm1      1.595 ppm2      4.631
 ASSI (
   (( segid "    " and resid 108  and name HB3 ))
 )(
   (( segid "    " and resid 108  and name HB2 ))
 )
      2.000     0.500     0.500 peak   696 weight  0.10000E+01 volume  0.21900E+01 ppm1      1.254 ppm2      1.807
 ASSI (
   (( segid "    " and resid 108  and name HB2 ))
 )(
   (( segid "    " and resid 88   and name HB2 ))
 )
      2.700     0.900     0.900 peak   697 weight  0.10000E+01 volume  0.45900E+00 ppm1      1.809 ppm2      1.993
 ASSI (
   (( segid "    " and resid 108  and name HB2 ))
 )(
   (( segid "    " and resid 88   and name HB3 ))
 )
      3.000     1.100     1.100 peak   700 weight  0.10000E+01 volume  0.24400E+00 ppm1      1.807 ppm2      1.008
 ASSI (
   (( segid "    " and resid 108  and name HB2 ))
 )(
   (( segid "    " and resid 108  and name HA  ))
 )
      3.100     1.200     1.200 peak   707 weight  0.10000E+01 volume  0.26000E+00 ppm1      1.816 ppm2      4.699
 ASSI (
   (( segid "    " and resid 108  and name HB3 ))
 )(
   (( segid "    " and resid 108  and name HA  ))
 )
      2.600     0.800     0.800 peak   708 weight  0.10000E+01 volume  0.81800E+00 ppm1      1.263 ppm2      4.733
 ASSI (
   (( segid "    " and resid 108  and name HB3 ))
 )(
   (( segid "    " and resid 108  and name H   ))
 )
      2.800     1.000     1.000 peak   712 weight  0.10000E+01 volume  0.35400E+00 ppm1      1.254 ppm2      8.736
 ASSI (
   (( segid "    " and resid 108  and name HB2 ))
 )(
   (( segid "    " and resid 88   and name H   ))
 )
      3.000     1.100     1.100 peak   713 weight  0.10000E+01 volume  0.22200E+00 ppm1      1.821 ppm2      9.222
 ASSI (
   (( segid "    " and resid 108  and name HB2 ))
 )(
   (( segid "    " and resid 108  and name H   ))
 )
      2.700     0.900     0.900 peak   714 weight  0.10000E+01 volume  0.44900E+00 ppm1      1.809 ppm2      8.731
 ASSI (
   (( segid "    " and resid 25   and name HD2 ))
 )(
   (( segid "    " and resid 76   and name H   ))
 )
      3.400     1.400     1.400 peak   748 weight  0.10000E+01 volume  0.20000E+00 ppm1      6.896 ppm2      9.192
 ASSI (
   (( segid "    " and resid 23   and name HG3 ))
 )(
   (( segid "    " and resid 25   and name HD2 ))
 )
      3.200     1.300     1.300 peak   750 weight  0.10000E+01 volume  0.25600E+00 ppm1      2.065 ppm2      6.869
 ASSI (
   (( segid "    " and resid 73   and name HG12))
 )(
   (( segid "    " and resid 73   and name HB  ))
 )
      2.400     0.700     0.700 peak   959 weight  0.10000E+01 volume  0.78000E+00 ppm1      0.924 ppm2      1.555
 ASSI (
   (( segid "    " and resid 73   and name HG12))
 )(
   (( segid "    " and resid 73   and name HA  ))
 )
      3.000     1.100     1.100 peak   961 weight  0.10000E+01 volume  0.33000E+00 ppm1      0.931 ppm2      4.830
 ASSI (
   (( segid "    " and resid 24   and name HG13))
 )(
   (( segid "    " and resid 24   and name H   ))
 )
      2.800     1.000     1.000 peak   963 weight  0.10000E+01 volume  0.37100E+00 ppm1      0.915 ppm2      9.296
 ASSI (
   (( segid "    " and resid 24   and name HG12))
 )(
   (( segid "    " and resid 24   and name HA  ))
 )
      2.900     1.100     1.100 peak   965 weight  0.10000E+01 volume  0.43900E+00 ppm1      1.137 ppm2      4.178
 ASSI (
   (( segid "    " and resid 24   and name HG12))
 )(
   (( segid "    " and resid 24   and name H   ))
 )
      2.700     0.900     0.900 peak   967 weight  0.10000E+01 volume  0.46100E+00 ppm1      1.136 ppm2      9.297
 ASSI (
   (( segid "    " and resid 24   and name HG12))
 )(
   (( segid "    " and resid 24   and name HG13))
 )
      1.900     0.500     0.500 peak   970 weight  0.10000E+01 volume  0.36600E+01 ppm1      1.136 ppm2      0.914
 ASSI (
   (( segid "    " and resid 73   and name HG13))
 )(
   (( segid "    " and resid 73   and name HG12))
 )
      1.800     0.400     0.400 peak   976 weight  0.10000E+01 volume  0.45680E+01 ppm1      1.194 ppm2      0.931
 ASSI (
   (( segid "    " and resid 73   and name HG13))
 )(
   (( segid "    " and resid 73   and name H   ))
 )
      3.100     1.200     1.200 peak   978 weight  0.10000E+01 volume  0.17800E+00 ppm1      1.194 ppm2      7.777
 ASSI (
   (( segid "    " and resid 94   and name HB3 ))
 )(
   (( segid "    " and resid 94   and name HG2 ))
 )
      2.700     0.900     0.900 peak  1168 weight  0.10000E+01 volume  0.40000E+00 ppm1      0.932 ppm2      0.306
 ASSI (
   (( segid "    " and resid 94   and name HB2 ))
 )(
   (( segid "    " and resid 94   and name HB3 ))
 )
      2.000     0.500     0.500 peak  1171 weight  0.10000E+01 volume  0.28300E+01 ppm1      1.183 ppm2      0.933
 ASSI (
   (( segid "    " and resid 94   and name HB3 ))
 )(
   (( segid "    " and resid 94   and name HD2 ))
 )
      2.900     1.100     1.100 peak  1176 weight  0.10000E+01 volume  0.25900E+00 ppm1      0.933 ppm2      2.560
 ASSI (
   (( segid "    " and resid 94   and name HB2 ))
 )(
   (( segid "    " and resid 94   and name HA  ))
 )
      3.000     1.100     1.100 peak  1184 weight  0.10000E+01 volume  0.32500E+00 ppm1      1.182 ppm2      4.737
 ASSI (
   (( segid "    " and resid 94   and name HB3 ))
 )(
   (( segid "    " and resid 94   and name HA  ))
 )
      3.000     1.100     1.100 peak  1185 weight  0.10000E+01 volume  0.37400E+00 ppm1      0.931 ppm2      4.740
 ASSI (
   (( segid "    " and resid 94   and name HB2 ))
 )(
   (( segid "    " and resid 94   and name H   ))
 )
      2.700     0.900     0.900 peak  1188 weight  0.10000E+01 volume  0.37600E+00 ppm1      1.182 ppm2      8.204
 ASSI (
   (( segid "    " and resid 94   and name HB3 ))
 )(
   (( segid "    " and resid 94   and name H   ))
 )
      3.000     1.100     1.100 peak  1189 weight  0.10000E+01 volume  0.20800E+00 ppm1      0.937 ppm2      8.202
 ASSI (
   (( segid "    " and resid 94   and name HB2 ))
 )(
   (( segid "    " and resid 94   and name HE  ))
 )
      3.000     1.100     1.100 peak  1190 weight  0.10000E+01 volume  0.22600E+00 ppm1      1.181 ppm2      6.410
 ASSI (
   (( segid "    " and resid 94   and name HB3 ))
 )(
   (( segid "    " and resid 94   and name HE  ))
 )
      3.200     1.300     1.300 peak  1191 weight  0.10000E+01 volume  0.16300E+00 ppm1      0.939 ppm2      6.419
 ASSI (
   (( segid "    " and resid 99   and name HG13))
 )(
   (( segid "    " and resid 99   and name HA  ))
 )
      2.800     1.000     1.000 peak  1192 weight  0.10000E+01 volume  0.50600E+00 ppm1      1.687 ppm2      3.959
 ASSI (
   (( segid "    " and resid 99   and name HG12))
 )(
   (( segid "    " and resid 99   and name H   ))
 )
      2.600     0.800     0.800 peak  1194 weight  0.10000E+01 volume  0.49400E+00 ppm1      1.028 ppm2      8.003
 ASSI (
   (( segid "    " and resid 99   and name HG13))
 )(
   (( segid "    " and resid 99   and name H   ))
 )
      2.300     0.700     0.700 peak  1195 weight  0.10000E+01 volume  0.12410E+01 ppm1      1.690 ppm2      7.989
 ASSI (
   (( segid "    " and resid 99   and name HG13))
 )(
   (( segid "    " and resid 99   and name HG12))
 )
      1.800     0.400     0.400 peak  1199 weight  0.10000E+01 volume  0.45490E+01 ppm1      1.687 ppm2      1.024
 ASSI (
   (( segid "    " and resid 51   and name HG12))
 )(
   (( segid "    " and resid 51   and name HB  ))
 )
      2.400     0.700     0.700 peak  1202 weight  0.10000E+01 volume  0.80700E+00 ppm1      1.068 ppm2      1.764
 ASSI (
   (( segid "    " and resid 51   and name HG12))
 )(
   (( segid "    " and resid 51   and name HG13))
 )
      1.800     0.400     0.400 peak  1203 weight  0.10000E+01 volume  0.51790E+01 ppm1      1.069 ppm2      1.470
 ASSI (
   (( segid "    " and resid 51   and name HG12))
 )(
   (( segid "    " and resid 52   and name H   ))
 )
      3.300     1.400     1.400 peak  1207 weight  0.10000E+01 volume  0.13000E+00 ppm1      1.073 ppm2      8.295
 ASSI (
   (( segid "    " and resid 51   and name HG12))
 )(
   (( segid "    " and resid 51   and name H   ))
 )
      2.500     0.800     0.800 peak  1208 weight  0.10000E+01 volume  0.62500E+00 ppm1      1.068 ppm2      7.591
 ASSI (
   (( segid "    " and resid 108  and name HG  ))
 )(
   (( segid "    " and resid 108  and name HB2 ))
 )
      2.400     0.700     0.700 peak  1210 weight  0.10000E+01 volume  0.84900E+00 ppm1      1.272 ppm2      1.806
 ASSI (
   (( segid "    " and resid 110  and name HG  ))
 )(
   (( segid "    " and resid 110  and name HA  ))
 )
      2.900     1.100     1.100 peak  1214 weight  0.10000E+01 volume  0.44900E+00 ppm1      1.373 ppm2      4.953
 ASSI (
   (( segid "    " and resid 88   and name HG  ))
 )(
   (( segid "    " and resid 88   and name HA  ))
 )
      3.100     1.200     1.200 peak  1215 weight  0.10000E+01 volume  0.29500E+00 ppm1      1.356 ppm2      4.449
 ASSI (
   (( segid "    " and resid 30   and name HG2 ))
 )(
   (( segid "    " and resid 30   and name HG3 ))
 )
      1.900     0.500     0.500 peak  1220 weight  0.10000E+01 volume  0.36710E+01 ppm1      1.298 ppm2      1.487
 ASSI (
   (( segid "    " and resid 30   and name HG3 ))
 )(
   (( segid "    " and resid 30   and name HB3 ))
 )
      2.700     0.900     0.900 peak  1221 weight  0.10000E+01 volume  0.41600E+00 ppm1      1.486 ppm2      2.274
 ASSI (
   (( segid "    " and resid 30   and name HG2 ))
 )(
   (( segid "    " and resid 30   and name HB3 ))
 )
      2.700     0.900     0.900 peak  1222 weight  0.10000E+01 volume  0.45800E+00 ppm1      1.296 ppm2      2.270
 ASSI (
   (( segid "    " and resid 30   and name HG2 ))
 )(
   (( segid "    " and resid 30   and name HB2 ))
 )
      2.500     0.800     0.800 peak  1223 weight  0.10000E+01 volume  0.60400E+00 ppm1      1.296 ppm2      1.945
 ASSI (
   (( segid "    " and resid 77   and name HG  ))
 )(
   (( segid "    " and resid 77   and name HA  ))
 )
      3.300     1.400     1.400 peak  1232 weight  0.10000E+01 volume  0.20500E+00 ppm1      1.519 ppm2      5.029
 ASSI (
   (( segid "    " and resid 30   and name HG2 ))
 )(
   (( segid "    " and resid 29   and name HA  ))
 )
      3.500     1.500     1.500 peak  1234 weight  0.10000E+01 volume  0.14200E+00 ppm1      1.308 ppm2      5.244
 ASSI (
   (( segid "    " and resid 52   and name HG  ))
 )(
   (( segid "    " and resid 52   and name HA  ))
 )
      3.300     1.400     1.400 peak  1237 weight  0.10000E+01 volume  0.19100E+00 ppm1      1.485 ppm2      4.626
 ASSI (
   (( segid "    " and resid 77   and name HG  ))
 )(
   (( segid "    " and resid 77   and name H   ))
 )
      2.300     0.700     0.700 peak  1238 weight  0.10000E+01 volume  0.10650E+01 ppm1      1.512 ppm2      8.932
 ASSI (
   (( segid "    " and resid 38   and name HB2 ))
 )(
   (( segid "    " and resid 38   and name HA  ))
 )
      3.200     1.300     1.300 peak  1239 weight  0.10000E+01 volume  0.23200E+00 ppm1      1.636 ppm2      5.173
 ASSI (
   (( segid "    " and resid 38   and name HB2 ))
 )(
   (( segid "    " and resid 38   and name H   ))
 )
      2.600     0.800     0.800 peak  1241 weight  0.10000E+01 volume  0.50700E+00 ppm1      1.645 ppm2      8.025
 ASSI (
   (( segid "    " and resid 38   and name HB3 ))
 )(
   (( segid "    " and resid 38   and name H   ))
 )
      2.600     0.800     0.800 peak  1242 weight  0.10000E+01 volume  0.52700E+00 ppm1      1.209 ppm2      8.028
 ASSI (
   (( segid "    " and resid 38   and name HB3 ))
 )(
   (( segid "    " and resid 38   and name HD2 ))
 )
      2.500     0.800     0.800 peak  1246 weight  0.10000E+01 volume  0.72300E+00 ppm1      1.196 ppm2      2.412
 ASSI (
   (( segid "    " and resid 38   and name HB2 ))
 )(
   (( segid "    " and resid 38   and name HD2 ))
 )
      2.600     0.800     0.800 peak  1247 weight  0.10000E+01 volume  0.53700E+00 ppm1      1.641 ppm2      2.400
 ASSI (
   (( segid "    " and resid 38   and name HB3 ))
 )(
   (( segid "    " and resid 38   and name HG2 ))
 )
      2.600     0.800     0.800 peak  1248 weight  0.10000E+01 volume  0.56400E+00 ppm1      1.206 ppm2      2.003
 ASSI (
   (( segid "    " and resid 38   and name HB3 ))
 )(
   (( segid "    " and resid 38   and name HB2 ))
 )
      2.100     0.600     0.600 peak  1249 weight  0.10000E+01 volume  0.17410E+01 ppm1      1.201 ppm2      1.633
 ASSI (
   (( segid "    " and resid 38   and name HB2 ))
 )(
   (( segid "    " and resid 38   and name HG2 ))
 )
      2.600     0.800     0.800 peak  1253 weight  0.10000E+01 volume  0.52200E+00 ppm1      1.644 ppm2      1.999
 ASSI (
   (( segid "    " and resid 18   and name HA  ))
 )(
   (( segid "    " and resid 18   and name HB  ))
 )
      2.800     1.000     1.000 peak  1260 weight  0.10000E+01 volume  0.50500E+00 ppm1      3.258 ppm2      1.940
 ASSI (
   (( segid "    " and resid 18   and name HA  ))
 )(
   (( segid "    " and resid 80   and name HG3 ))
 )
      2.600     0.800     0.800 peak  1261 weight  0.10000E+01 volume  0.72100E+00 ppm1      3.258 ppm2      2.230
 ASSI (
   (( segid "    " and resid 18   and name HA  ))
 )(
   (( segid "    " and resid 80   and name HB2 ))
 )
      2.800     1.000     1.000 peak  1262 weight  0.10000E+01 volume  0.51000E+00 ppm1      3.261 ppm2      1.974
 ASSI (
   (( segid "    " and resid 18   and name HA  ))
 )(
   (( segid "    " and resid 80   and name HG2 ))
 )
      3.200     1.300     1.300 peak  1263 weight  0.10000E+01 volume  0.22400E+00 ppm1      3.257 ppm2      1.807
 ASSI (
   (( segid "    " and resid 18   and name HA  ))
 )(
   (( segid "    " and resid 18   and name H   ))
 )
      2.800     1.000     1.000 peak  1265 weight  0.10000E+01 volume  0.52300E+00 ppm1      3.256 ppm2      8.695
 ASSI (
   (( segid "    " and resid 18   and name HA  ))
 )(
   (( segid "    " and resid 19   and name H   ))
 )
      2.300     0.700     0.700 peak  1266 weight  0.10000E+01 volume  0.16920E+01 ppm1      3.258 ppm2      8.371
 ASSI (
   (( segid "    " and resid 18   and name HA  ))
 )(
   (( segid "    " and resid 19   and name HA2 ))
 )
      3.100     1.200     1.200 peak  1267 weight  0.10000E+01 volume  0.45900E+00 ppm1      3.257 ppm2      3.604
 ASSI (
   (( segid "    " and resid 39   and name HA  ))
 )(
   (( segid "    " and resid 40   and name HA3 ))
 )
      3.400     1.400     1.400 peak  1271 weight  0.10000E+01 volume  0.25800E+00 ppm1      3.463 ppm2      3.635
 ASSI (
   (( segid "    " and resid 39   and name HA  ))
 )(
   (( segid "    " and resid 40   and name H   ))
 )
      2.300     0.700     0.700 peak  1274 weight  0.10000E+01 volume  0.17350E+01 ppm1      3.464 ppm2      8.404
 ASSI (
   (( segid "    " and resid 96   and name HB2 ))
 )(
   (( segid "    " and resid 96   and name HB3 ))
 )
      1.700     0.400     0.500 peak  1281 weight  0.10000E+01 volume  0.62740E+01 ppm1      3.157 ppm2      3.032
 ASSI (
   (( segid "    " and resid 96   and name HB2 ))
 )(
   (( segid "    " and resid 96   and name HA  ))
 )
      2.300     0.700     0.700 peak  1287 weight  0.10000E+01 volume  0.16740E+01 ppm1      3.157 ppm2      4.367
 ASSI (
   (( segid "    " and resid 96   and name HB3 ))
 )(
   (( segid "    " and resid 96   and name HA  ))
 )
      2.300     0.700     0.700 peak  1288 weight  0.10000E+01 volume  0.18280E+01 ppm1      3.040 ppm2      4.366
 ASSI (
   (( segid "    " and resid 96   and name HB2 ))
 )(
   (( segid "    " and resid 96   and name H   ))
 )
      2.400     0.700     0.700 peak  1291 weight  0.10000E+01 volume  0.75300E+00 ppm1      3.159 ppm2      7.808
 ASSI (
   (( segid "    " and resid 96   and name HB3 ))
 )(
   (( segid "    " and resid 96   and name H   ))
 )
      2.400     0.700     0.700 peak  1292 weight  0.10000E+01 volume  0.94500E+00 ppm1      3.036 ppm2      7.799
 ASSI (
   (( segid "    " and resid 17   and name HB3 ))
 )(
   (( segid "    " and resid 17   and name HB2 ))
 )
      1.800     0.400     0.400 peak  1295 weight  0.10000E+01 volume  0.45100E+01 ppm1      2.760 ppm2      3.352
 ASSI (
   (( segid "    " and resid 17   and name HB2 ))
 )(
   (( segid "    " and resid 17   and name H   ))
 )
      3.000     1.100     1.100 peak  1299 weight  0.10000E+01 volume  0.21100E+00 ppm1      3.358 ppm2      8.832
 ASSI (
   (( segid "    " and resid 17   and name HB3 ))
 )(
   (( segid "    " and resid 17   and name H   ))
 )
      2.800     1.000     1.000 peak  1300 weight  0.10000E+01 volume  0.35800E+00 ppm1      2.762 ppm2      8.836
 ASSI (
   (( segid "    " and resid 17   and name HB3 ))
 )(
   (( segid "    " and resid 18   and name H   ))
 )
      2.500     0.800     0.800 peak  1301 weight  0.10000E+01 volume  0.64300E+00 ppm1      2.760 ppm2      8.705
 ASSI (
   (( segid "    " and resid 17   and name HB2 ))
 )(
   (( segid "    " and resid 18   and name H   ))
 )
      2.400     0.700     0.700 peak  1302 weight  0.10000E+01 volume  0.78200E+00 ppm1      3.352 ppm2      8.691
 ASSI (
   (( segid "    " and resid 17   and name HB3 ))
 )(
   (( segid "    " and resid 20   and name HD2 ))
 )
      2.700     0.900     0.900 peak  1305 weight  0.10000E+01 volume  0.40200E+00 ppm1      2.761 ppm2      1.274
 ASSI (
   (( segid "    " and resid 17   and name HB2 ))
 )(
   (( segid "    " and resid 20   and name HD2 ))
 )
      2.900     1.100     1.100 peak  1309 weight  0.10000E+01 volume  0.28600E+00 ppm1      3.350 ppm2      1.287
 ASSI (
   (( segid "    " and resid 13   and name HB3 ))
 )(
   (( segid "    " and resid 13   and name H   ))
 )
      2.200     0.600     0.600 peak  1313 weight  0.10000E+01 volume  0.15310E+01 ppm1      3.047 ppm2      8.940
 ASSI (
   (( segid "    " and resid 25   and name HB3 ))
 )(
   (( segid "    " and resid 25   and name H   ))
 )
      2.300     0.700     0.700 peak  1314 weight  0.10000E+01 volume  0.98100E+00 ppm1      3.158 ppm2      8.753
 ASSI (
   (( segid "    " and resid 13   and name HB3 ))
 )(
   (( segid "    " and resid 13   and name HE3 ))
 )
      3.100     1.200     1.200 peak  1315 weight  0.10000E+01 volume  0.36900E+00 ppm1      3.049 ppm2      7.490
 ASSI (
   (( segid "    " and resid 13   and name HB2 ))
 )(
   (( segid "    " and resid 13   and name HE3 ))
 )
      3.000     1.100     1.100 peak  1316 weight  0.10000E+01 volume  0.43800E+00 ppm1      3.173 ppm2      7.479
 ASSI (
   (( segid "    " and resid 13   and name HB2 ))
 )(
   (( segid "    " and resid 13   and name HD1 ))
 )
      3.600     1.600     1.600 peak  1317 weight  0.10000E+01 volume  0.14100E+00 ppm1      3.172 ppm2      7.151
 ASSI (
   (( segid "    " and resid 25   and name HB2 ))
 )(
   (( segid "    " and resid 26   and name H   ))
 )
      3.100     1.200     1.200 peak  1328 weight  0.10000E+01 volume  0.17800E+00 ppm1      2.759 ppm2      8.921
 ASSI (
   (( segid "    " and resid 25   and name HB2 ))
 )(
   (( segid "    " and resid 25   and name H   ))
 )
      2.700     0.900     0.900 peak  1329 weight  0.10000E+01 volume  0.44800E+00 ppm1      2.754 ppm2      8.736
 ASSI (
   (( segid "    " and resid 13   and name HB2 ))
 )(
   (( segid "    " and resid 13   and name HA  ))
 )
      2.800     1.000     1.000 peak  1330 weight  0.10000E+01 volume  0.46300E+00 ppm1      3.172 ppm2      5.142
 ASSI (
   (( segid "    " and resid 13   and name HB3 ))
 )(
   (( segid "    " and resid 13   and name HA  ))
 )
      2.900     1.100     1.100 peak  1331 weight  0.10000E+01 volume  0.45500E+00 ppm1      3.048 ppm2      5.142
 ASSI (
   (( segid "    " and resid 56   and name HB3 ))
 )(
   (( segid "    " and resid 56   and name HA  ))
 )
      2.700     0.900     0.900 peak  1332 weight  0.10000E+01 volume  0.63800E+00 ppm1      2.985 ppm2      5.347
 ASSI (
   (( segid "    " and resid 56   and name HB3 ))
 )(
   (( segid "    " and resid 56   and name HB2 ))
 )
      1.800     0.400     0.400 peak  1334 weight  0.10000E+01 volume  0.49960E+01 ppm1      2.988 ppm2      2.370
 ASSI (
   (( segid "    " and resid 56   and name HB3 ))
 )(
   (( segid "    " and resid 56   and name H   ))
 )
      2.400     0.700     0.700 peak  1340 weight  0.10000E+01 volume  0.79800E+00 ppm1      2.987 ppm2      9.139
 ASSI (
   (( segid "    " and resid 56   and name HB2 ))
 )(
   (( segid "    " and resid 56   and name HA  ))
 )
      2.700     0.900     0.900 peak  1343 weight  0.10000E+01 volume  0.59300E+00 ppm1      2.373 ppm2      5.351
 ASSI (
   (( segid "    " and resid 56   and name HB2 ))
 )(
   (( segid "    " and resid 56   and name H   ))
 )
      2.600     0.800     0.800 peak  1348 weight  0.10000E+01 volume  0.48000E+00 ppm1      2.374 ppm2      9.142
 ASSI (
   (( segid "    " and resid 56   and name HB2 ))
 )(
   (( segid "    " and resid 57   and name H   ))
 )
      3.000     1.100     1.100 peak  1349 weight  0.10000E+01 volume  0.20500E+00 ppm1      2.374 ppm2      9.002
 ASSI (
   (( segid "    " and resid 35   and name HG2 ))
 )(
   (( segid "    " and resid 37   and name HB  ))
 )
      2.600     0.800     0.800 peak  1351 weight  0.10000E+01 volume  0.56900E+00 ppm1      2.158 ppm2      4.056
 ASSI (
   (( segid "    " and resid 35   and name HG3 ))
 )(
   (( segid "    " and resid 37   and name HB  ))
 )
      2.700     0.900     0.900 peak  1352 weight  0.10000E+01 volume  0.43500E+00 ppm1      2.409 ppm2      4.049
 ASSI (
   (( segid "    " and resid 35   and name HG2 ))
 )(
   (( segid "    " and resid 35   and name HG3 ))
 )
      1.900     0.500     0.500 peak  1355 weight  0.10000E+01 volume  0.29870E+01 ppm1      2.159 ppm2      2.412
 ASSI (
   (( segid "    " and resid 35   and name HG2 ))
 )(
   (( segid "    " and resid 58   and name HB2 ))
 )
      3.400     1.400     1.400 peak  1356 weight  0.10000E+01 volume  0.11300E+00 ppm1      2.155 ppm2      2.632
 ASSI (
   (( segid "    " and resid 35   and name HG2 ))
 )(
   (( segid "    " and resid 35   and name HB2 ))
 )
      2.000     0.500     0.500 peak  1359 weight  0.10000E+01 volume  0.28310E+01 ppm1      2.157 ppm2      1.891
 ASSI (
   (( segid "    " and resid 35   and name HG3 ))
 )(
   (( segid "    " and resid 95   and name HG2 ))
 )
      3.200     1.300     1.300 peak  1362 weight  0.10000E+01 volume  0.14000E+00 ppm1      2.407 ppm2      1.710
 ASSI (
   (( segid "    " and resid 35   and name HG3 ))
 )(
   (( segid "    " and resid 35   and name H   ))
 )
      2.800     1.000     1.000 peak  1367 weight  0.10000E+01 volume  0.36700E+00 ppm1      2.410 ppm2      8.302
 ASSI (
   (( segid "    " and resid 36   and name HB2 ))
 )(
   (( segid "    " and resid 36   and name HB3 ))
 )
      2.000     0.500     0.500 peak  1368 weight  0.10000E+01 volume  0.27560E+01 ppm1      2.584 ppm2      1.985
 ASSI (
   (( segid "    " and resid 36   and name HB2 ))
 )(
   (( segid "    " and resid 36   and name H   ))
 )
      2.600     0.800     0.800 peak  1369 weight  0.10000E+01 volume  0.47400E+00 ppm1      2.590 ppm2      5.807
 ASSI (
   (( segid "    " and resid 36   and name HB2 ))
 )(
   (( segid "    " and resid 36   and name HA  ))
 )
      2.800     1.000     1.000 peak  1370 weight  0.10000E+01 volume  0.46200E+00 ppm1      2.587 ppm2      5.174
 ASSI (
   (( segid "    " and resid 36   and name HB2 ))
 )(
   (( segid "    " and resid 37   and name H   ))
 )
      3.100     1.200     1.200 peak  1372 weight  0.10000E+01 volume  0.19400E+00 ppm1      2.589 ppm2      9.092
 ASSI (
   (( segid "    " and resid 36   and name HB3 ))
 )(
   (( segid "    " and resid 36   and name HA  ))
 )
      2.900     1.100     1.100 peak  1377 weight  0.10000E+01 volume  0.40300E+00 ppm1      1.988 ppm2      5.178
 ASSI (
   (( segid "    " and resid 112  and name HB  ))
 )(
   (( segid "    " and resid 84   and name H   ))
 )
      2.300     0.700     0.700 peak  1381 weight  0.10000E+01 volume  0.11440E+01 ppm1      2.657 ppm2      8.998
 ASSI (
   (( segid "    " and resid 86   and name HB2 ))
 )(
   (( segid "    " and resid 86   and name HD2 ))
 )
      3.100     1.200     1.200 peak  1385 weight  0.10000E+01 volume  0.33000E+00 ppm1      2.522 ppm2      6.551
 ASSI (
   (( segid "    " and resid 86   and name HB3 ))
 )(
   (( segid "    " and resid 87   and name H   ))
 )
      2.800     1.000     1.000 peak  1386 weight  0.10000E+01 volume  0.34800E+00 ppm1      3.123 ppm2      9.199
 ASSI (
   (( segid "    " and resid 86   and name HB2 ))
 )(
   (( segid "    " and resid 86   and name H   ))
 )
      2.900     1.100     1.100 peak  1389 weight  0.10000E+01 volume  0.26500E+00 ppm1      2.514 ppm2      8.777
 ASSI (
   (( segid "    " and resid 86   and name HB2 ))
 )(
   (( segid "    " and resid 86   and name HB3 ))
 )
      2.000     0.500     0.500 peak  1390 weight  0.10000E+01 volume  0.28660E+01 ppm1      2.521 ppm2      3.121
 ASSI (
   (( segid "    " and resid 86   and name HB2 ))
 )(
   (( segid "    " and resid 110  and name HB3 ))
 )
      3.000     1.100     1.100 peak  1395 weight  0.10000E+01 volume  0.21000E+00 ppm1      2.516 ppm2      1.151
 ASSI (
   (( segid "    " and resid 104  and name HG3 ))
 )(
   (( segid "    " and resid 104  and name HA  ))
 )
      2.600     0.800     0.800 peak  1401 weight  0.10000E+01 volume  0.73400E+00 ppm1      2.498 ppm2      4.189
 ASSI (
   (( segid "    " and resid 104  and name HG2 ))
 )(
   (( segid "    " and resid 104  and name HA  ))
 )
      3.000     1.100     1.100 peak  1402 weight  0.10000E+01 volume  0.36300E+00 ppm1      2.439 ppm2      4.188
 ASSI (
   (( segid "    " and resid 104  and name HG3 ))
 )(
   (( segid "    " and resid 36   and name HH2 ))
 )
      3.700     1.700     1.700 peak  1403 weight  0.10000E+01 volume  0.11700E+00 ppm1      2.504 ppm2      6.782
 ASSI (
   (( segid "    " and resid 104  and name HG3 ))
 )(
   (( segid "    " and resid 105  and name H   ))
 )
      2.900     1.100     1.100 peak  1404 weight  0.10000E+01 volume  0.29500E+00 ppm1      2.498 ppm2      8.516
 ASSI (
   (( segid "    " and resid 104  and name HG2 ))
 )(
   (( segid "    " and resid 105  and name H   ))
 )
      2.600     0.800     0.800 peak  1405 weight  0.10000E+01 volume  0.47100E+00 ppm1      2.435 ppm2      8.520
 ASSI (
   (( segid "    " and resid 104  and name HG3 ))
 )(
   (( segid "    " and resid 104  and name HB3 ))
 )
      2.400     0.700     0.700 peak  1408 weight  0.10000E+01 volume  0.76400E+00 ppm1      2.493 ppm2      2.039
 ASSI (
   (( segid "    " and resid 104  and name HG2 ))
 )(
   (( segid "    " and resid 104  and name HB3 ))
 )
      2.300     0.700     0.700 peak  1409 weight  0.10000E+01 volume  0.10440E+01 ppm1      2.442 ppm2      2.027
 ASSI (
   (( segid "    " and resid 82   and name HB2 ))
 )(
   (( segid "    " and resid 82   and name HD2 ))
 )
      2.300     0.700     0.700 peak  1428 weight  0.10000E+01 volume  0.10980E+01 ppm1      1.958 ppm2      1.703
 ASSI (
   (( segid "    " and resid 82   and name HB2 ))
 )(
   (( segid "    " and resid 82   and name HA  ))
 )
      2.600     0.800     0.800 peak  1432 weight  0.10000E+01 volume  0.84900E+00 ppm1      1.954 ppm2      4.711
 ASSI (
   (( segid "    " and resid 82   and name HB2 ))
 )(
   (( segid "    " and resid 83   and name H   ))
 )
      2.700     0.900     0.900 peak  1433 weight  0.10000E+01 volume  0.45700E+00 ppm1      1.954 ppm2      8.724
 ASSI (
   (( segid "    " and resid 82   and name HB2 ))
 )(
   (( segid "    " and resid 82   and name H   ))
 )
      2.800     1.000     1.000 peak  1434 weight  0.10000E+01 volume  0.30700E+00 ppm1      1.959 ppm2      7.402
 ASSI (
   (( segid "    " and resid 82   and name HB3 ))
 )(
   (( segid "    " and resid 83   and name H   ))
 )
      3.000     1.100     1.100 peak  1435 weight  0.10000E+01 volume  0.22300E+00 ppm1      1.514 ppm2      8.737
 ASSI (
   (( segid "    " and resid 82   and name HB3 ))
 )(
   (( segid "    " and resid 82   and name H   ))
 )
      2.700     0.900     0.900 peak  1436 weight  0.10000E+01 volume  0.43600E+00 ppm1      1.512 ppm2      7.409
 ASSI (
   (( segid "    " and resid 82   and name HB3 ))
 )(
   (( segid "    " and resid 82   and name HA  ))
 )
      2.800     1.000     1.000 peak  1437 weight  0.10000E+01 volume  0.53300E+00 ppm1      1.513 ppm2      4.710
 ASSI (
   (( segid "    " and resid 82   and name HB3 ))
 )(
   (( segid "    " and resid 51   and name HA  ))
 )
      3.100     1.200     1.200 peak  1438 weight  0.10000E+01 volume  0.28000E+00 ppm1      1.516 ppm2      3.827
 ASSI (
   (( segid "    " and resid 82   and name HB3 ))
 )(
   (( segid "    " and resid 82   and name HB2 ))
 )
      1.800     0.400     0.400 peak  1439 weight  0.10000E+01 volume  0.49250E+01 ppm1      1.512 ppm2      1.955
 ASSI (
   (( segid "    " and resid 82   and name HB3 ))
 )(
   (( segid "    " and resid 82   and name HD3 ))
 )
      2.400     0.700     0.700 peak  1440 weight  0.10000E+01 volume  0.93100E+00 ppm1      1.516 ppm2      1.684
 ASSI (
   (( segid "    " and resid 99   and name HB  ))
 )(
   (( segid "    " and resid 99   and name HA  ))
 )
      3.000     1.100     1.100 peak  1447 weight  0.10000E+01 volume  0.32500E+00 ppm1      1.615 ppm2      3.976
 ASSI (
   (( segid "    " and resid 99   and name HB  ))
 )(
   (( segid "    " and resid 98   and name HA3 ))
 )
      3.500     1.500     1.500 peak  1448 weight  0.10000E+01 volume  0.13000E+00 ppm1      1.611 ppm2      3.516
 ASSI (
   (( segid "    " and resid 99   and name HB  ))
 )(
   (( segid "    " and resid 99   and name H   ))
 )
      2.200     0.600     0.600 peak  1449 weight  0.10000E+01 volume  0.13130E+01 ppm1      1.611 ppm2      7.986
 ASSI (
   (( segid "    " and resid 99   and name HB  ))
 )(
   (( segid "    " and resid 100  and name H   ))
 )
      3.000     1.100     1.100 peak  1450 weight  0.10000E+01 volume  0.21600E+00 ppm1      1.616 ppm2      7.761
 ASSI (
   (( segid "    " and resid 51   and name HB  ))
 )(
   (( segid "    " and resid 51   and name HA  ))
 )
      2.800     1.000     1.000 peak  1455 weight  0.10000E+01 volume  0.51000E+00 ppm1      1.768 ppm2      3.807
 ASSI (
   (( segid "    " and resid 51   and name HB  ))
 )(
   (( segid "    " and resid 52   and name H   ))
 )
      2.400     0.700     0.700 peak  1456 weight  0.10000E+01 volume  0.78800E+00 ppm1      1.764 ppm2      8.292
 ASSI (
   (( segid "    " and resid 51   and name HB  ))
 )(
   (( segid "    " and resid 51   and name H   ))
 )
      2.300     0.700     0.700 peak  1457 weight  0.10000E+01 volume  0.11600E+01 ppm1      1.770 ppm2      7.591
 ASSI (
   (( segid "    " and resid 23   and name HA  ))
 )(
   (( segid "    " and resid 77   and name HA  ))
 )
      2.800     1.000     1.000 peak  1462 weight  0.10000E+01 volume  0.79600E+00 ppm1      5.286 ppm2      5.030
 ASSI (
   (( segid "    " and resid 48   and name HB2 ))
 )(
   (( segid "    " and resid 48   and name H   ))
 )
      2.400     0.700     0.700 peak  1463 weight  0.10000E+01 volume  0.92800E+00 ppm1      3.643 ppm2      6.734
 ASSI (
   (( segid "    " and resid 48   and name HB3 ))
 )(
   (( segid "    " and resid 48   and name H   ))
 )
      2.500     0.800     0.800 peak  1466 weight  0.10000E+01 volume  0.63700E+00 ppm1      4.068 ppm2      6.730
 ASSI (
   (( segid "    " and resid 48   and name HB2 ))
 )(
   (( segid "    " and resid 49   and name H   ))
 )
      2.800     1.000     1.000 peak  1467 weight  0.10000E+01 volume  0.30200E+00 ppm1      3.643 ppm2      8.898
 ASSI (
   (( segid "    " and resid 48   and name HB3 ))
 )(
   (( segid "    " and resid 49   and name H   ))
 )
      2.500     0.800     0.800 peak  1468 weight  0.10000E+01 volume  0.71700E+00 ppm1      4.071 ppm2      8.903
 ASSI (
   (( segid "    " and resid 48   and name HB2 ))
 )(
   (( segid "    " and resid 54   and name H   ))
 )
      3.200     1.300     1.300 peak  1469 weight  0.10000E+01 volume  0.14000E+00 ppm1      3.638 ppm2      8.440
 ASSI (
   (( segid "    " and resid 48   and name HB3 ))
 )(
   (( segid "    " and resid 54   and name H   ))
 )
      2.900     1.100     1.100 peak  1470 weight  0.10000E+01 volume  0.28800E+00 ppm1      4.075 ppm2      8.445
 ASSI (
   (( segid "    " and resid 48   and name HB2 ))
 )(
   (( segid "    " and resid 48   and name HB3 ))
 )
      2.100     0.600     0.600 peak  1473 weight  0.10000E+01 volume  0.19350E+01 ppm1      3.644 ppm2      4.062
 ASSI (
   (( segid "    " and resid 42   and name HA  ))
 )(
   (( segid "    " and resid 43   and name H   ))
 )
      2.200     0.600     0.600 peak  1477 weight  0.10000E+01 volume  0.23820E+01 ppm1      3.721 ppm2      8.872
 ASSI (
   (( segid "    " and resid 42   and name HA  ))
 )(
   (( segid "    " and resid 41   and name H   ))
 )
      3.700     1.700     1.700 peak  1478 weight  0.10000E+01 volume  0.94000E-01 ppm1      3.725 ppm2      8.594
 ASSI (
   (( segid "    " and resid 42   and name HA  ))
 )(
   (( segid "    " and resid 44   and name H   ))
 )
      3.100     1.200     1.200 peak  1479 weight  0.10000E+01 volume  0.30100E+00 ppm1      3.724 ppm2      8.096
 ASSI (
   (( segid "    " and resid 42   and name HA  ))
 )(
   (( segid "    " and resid 42   and name H   ))
 )
      2.700     0.900     0.900 peak  1480 weight  0.10000E+01 volume  0.66200E+00 ppm1      3.722 ppm2      7.788
 ASSI (
   (( segid "    " and resid 95   and name HA  ))
 )(
   (( segid "    " and resid 95   and name HB3 ))
 )
      2.300     0.700     0.700 peak  1486 weight  0.10000E+01 volume  0.18580E+01 ppm1      3.834 ppm2      2.082
 ASSI (
   (( segid "    " and resid 95   and name HA  ))
 )(
   (( segid "    " and resid 95   and name HB2 ))
 )
      2.500     0.800     0.800 peak  1487 weight  0.10000E+01 volume  0.93200E+00 ppm1      3.821 ppm2      1.899
 ASSI (
   (( segid "    " and resid 95   and name HA  ))
 )(
   (( segid "    " and resid 97   and name H   ))
 )
      3.600     1.600     1.600 peak  1493 weight  0.10000E+01 volume  0.11800E+00 ppm1      3.827 ppm2      7.053
 ASSI (
   (( segid "    " and resid 63   and name HB2 ))
 )(
   (( segid "    " and resid 63   and name H   ))
 )
      2.500     0.800     0.800 peak  1495 weight  0.10000E+01 volume  0.59900E+00 ppm1      3.821 ppm2      8.392
 ASSI (
   (( segid "    " and resid 63   and name HB3 ))
 )(
   (( segid "    " and resid 64   and name H   ))
 )
      3.100     1.200     1.200 peak  1498 weight  0.10000E+01 volume  0.18500E+00 ppm1      3.934 ppm2      8.522
 ASSI (
   (( segid "    " and resid 101  and name HA  ))
 )(
   (( segid "    " and resid 101  and name HD3 ))
 )
      3.200     1.300     1.300 peak  1500 weight  0.10000E+01 volume  0.24800E+00 ppm1      4.236 ppm2      3.837
 ASSI (
   (( segid "    " and resid 101  and name HA  ))
 )(
   (( segid "    " and resid 101  and name HB3 ))
 )
      2.300     0.700     0.700 peak  1502 weight  0.10000E+01 volume  0.16700E+01 ppm1      4.242 ppm2      2.386
 ASSI (
   (( segid "    " and resid 31   and name HA  ))
 )(
   (( segid "    " and resid 32   and name H   ))
 )
      3.300     1.400     1.400 peak  1505 weight  0.10000E+01 volume  0.20600E+00 ppm1      4.178 ppm2      7.814
 ASSI (
   (( segid "    " and resid 66   and name HA  ))
 )(
   (( segid "    " and resid 66   and name HB3 ))
 )
      2.400     0.700     0.700 peak  1506 weight  0.10000E+01 volume  0.13520E+01 ppm1      4.378 ppm2      2.294
 ASSI (
   (( segid "    " and resid 62   and name HA  ))
 )(
   (( segid "    " and resid 62   and name HG2 ))
 )
      2.900     1.100     1.100 peak  1509 weight  0.10000E+01 volume  0.40200E+00 ppm1      4.425 ppm2      2.054
 ASSI (
   (( segid "    " and resid 22   and name HA  ))
 )(
   (( segid "    " and resid 23   and name H   ))
 )
      2.100     0.600     0.600 peak  1514 weight  0.10000E+01 volume  0.29820E+01 ppm1      4.367 ppm2      8.739
 ASSI (
   (( segid "    " and resid 32   and name HA  ))
 )(
   (( segid "    " and resid 32   and name HB  ))
 )
      2.300     0.700     0.700 peak  1519 weight  0.10000E+01 volume  0.15740E+01 ppm1      4.365 ppm2      4.631
 ASSI (
   (( segid "    " and resid 22   and name HA  ))
 )(
   (( segid "    " and resid 22   and name H   ))
 )
      3.000     1.100     1.100 peak  1521 weight  0.10000E+01 volume  0.31700E+00 ppm1      4.360 ppm2      9.519
 ASSI (
   (( segid "    " and resid 32   and name HA  ))
 )(
   (( segid "    " and resid 29   and name HD21))
 )
      3.100     1.200     1.200 peak  1522 weight  0.10000E+01 volume  0.39600E+00 ppm1      4.361 ppm2      7.824
 ASSI (
   (( segid "    " and resid 7    and name HA  ))
 )(
   (( segid "    " and resid 7    and name HB  ))
 )
      2.700     0.900     0.900 peak  1523 weight  0.10000E+01 volume  0.64000E+00 ppm1      4.207 ppm2      2.155
 ASSI (
   (( segid "    " and resid 7    and name HA  ))
 )(
   (( segid "    " and resid 8    and name H   ))
 )
      2.400     0.700     0.700 peak  1525 weight  0.10000E+01 volume  0.13930E+01 ppm1      4.205 ppm2      8.469
 ASSI (
   (( segid "    " and resid 60   and name HA  ))
 )(
   (( segid "    " and resid 61   and name H   ))
 )
      2.300     0.700     0.700 peak  1529 weight  0.10000E+01 volume  0.14940E+01 ppm1      4.328 ppm2      8.596
 ASSI (
   (( segid "    " and resid 75   and name HA  ))
 )(
   (( segid "    " and resid 76   and name H   ))
 )
      2.100     0.600     0.600 peak  1530 weight  0.10000E+01 volume  0.25510E+01 ppm1      4.297 ppm2      9.198
 ASSI (
   (( segid "    " and resid 70   and name HA  ))
 )(
   (( segid "    " and resid 71   and name H   ))
 )
      2.400     0.700     0.700 peak  1532 weight  0.10000E+01 volume  0.12880E+01 ppm1      4.258 ppm2      8.569
 ASSI (
   (( segid "    " and resid 46   and name HA  ))
 )(
   (( segid "    " and resid 46   and name H   ))
 )
      2.900     1.100     1.100 peak  1533 weight  0.10000E+01 volume  0.37600E+00 ppm1      4.301 ppm2      7.625
 ASSI (
   (( segid "    " and resid 46   and name HA  ))
 )(
   (( segid "    " and resid 48   and name H   ))
 )
      3.000     1.100     1.100 peak  1536 weight  0.10000E+01 volume  0.34800E+00 ppm1      4.309 ppm2      6.730
 ASSI (
   (( segid "    " and resid 70   and name HA  ))
 )(
   (( segid "    " and resid 70   and name HB  ))
 )
      2.500     0.800     0.800 peak  1538 weight  0.10000E+01 volume  0.93000E+00 ppm1      4.258 ppm2      2.191
 ASSI (
   (( segid "    " and resid 70   and name HA  ))
 )(
   (( segid "    " and resid 70   and name H   ))
 )
      3.000     1.100     1.100 peak  1546 weight  0.10000E+01 volume  0.37400E+00 ppm1      4.260 ppm2      8.026
 ASSI (
   (( segid "    " and resid 64   and name HB2 ))
 )(
   (( segid "    " and resid 64   and name HA  ))
 )
      2.600     0.800     0.800 peak  1553 weight  0.10000E+01 volume  0.72200E+00 ppm1      3.989 ppm2      4.423
 ASSI (
   (( segid "    " and resid 64   and name HB3 ))
 )(
   (( segid "    " and resid 64   and name HA  ))
 )
      2.600     0.800     0.800 peak  1554 weight  0.10000E+01 volume  0.82300E+00 ppm1      3.895 ppm2      4.417
 ASSI (
   (( segid "    " and resid 64   and name HB2 ))
 )(
   (( segid "    " and resid 64   and name H   ))
 )
      3.100     1.200     1.200 peak  1555 weight  0.10000E+01 volume  0.17500E+00 ppm1      3.985 ppm2      8.514
 ASSI (
   (( segid "    " and resid 64   and name HB3 ))
 )(
   (( segid "    " and resid 64   and name H   ))
 )
      3.400     1.400     1.400 peak  1556 weight  0.10000E+01 volume  0.11000E+00 ppm1      3.895 ppm2      8.507
 ASSI (
   (( segid "    " and resid 99   and name HA  ))
 )(
   (( segid "    " and resid 99   and name HG12))
 )
      2.500     0.800     0.800 peak  1558 weight  0.10000E+01 volume  0.90400E+00 ppm1      3.963 ppm2      1.005
 ASSI (
   (( segid "    " and resid 99   and name HA  ))
 )(
   (( segid "    " and resid 99   and name H   ))
 )
      2.800     1.000     1.000 peak  1560 weight  0.10000E+01 volume  0.48400E+00 ppm1      3.967 ppm2      7.997
 ASSI (
   (( segid "    " and resid 99   and name HA  ))
 )(
   (( segid "    " and resid 100  and name H   ))
 )
      2.200     0.600     0.600 peak  1561 weight  0.10000E+01 volume  0.22600E+01 ppm1      3.965 ppm2      7.739
 ASSI (
   (( segid "    " and resid 51   and name HA  ))
 )(
   (( segid "    " and resid 52   and name H   ))
 )
      3.300     1.400     1.400 peak  1563 weight  0.10000E+01 volume  0.19600E+00 ppm1      3.810 ppm2      8.295
 ASSI (
   (( segid "    " and resid 51   and name HA  ))
 )(
   (( segid "    " and resid 51   and name H   ))
 )
      2.800     1.000     1.000 peak  1564 weight  0.10000E+01 volume  0.47400E+00 ppm1      3.808 ppm2      7.589
 ASSI (
   (( segid "    " and resid 112  and name HA  ))
 )(
   (( segid "    " and resid 113  and name H   ))
 )
      2.100     0.600     0.600 peak  1565 weight  0.10000E+01 volume  0.25610E+01 ppm1      3.750 ppm2      8.351
 ASSI (
   (( segid "    " and resid 51   and name HA  ))
 )(
   (( segid "    " and resid 51   and name HG12))
 )
      2.600     0.800     0.800 peak  1569 weight  0.10000E+01 volume  0.74400E+00 ppm1      3.808 ppm2      1.082
 ASSI (
   (( segid "    " and resid 112  and name HA  ))
 )(
   (( segid "    " and resid 112  and name HB  ))
 )
      3.200     1.300     1.300 peak  1573 weight  0.10000E+01 volume  0.23800E+00 ppm1      3.744 ppm2      2.666
 ASSI (
   (( segid "    " and resid 112  and name HA  ))
 )(
   (( segid "    " and resid 112  and name H   ))
 )
      2.900     1.100     1.100 peak  1577 weight  0.10000E+01 volume  0.40200E+00 ppm1      3.744 ppm2      8.741
 ASSI (
   (( segid "    " and resid 112  and name HA  ))
 )(
   (( segid "    " and resid 16   and name HB  ))
 )
      3.000     1.100     1.100 peak  1578 weight  0.10000E+01 volume  0.34000E+00 ppm1      3.754 ppm2      3.915
 ASSI (
   (( segid "    " and resid 112  and name HA  ))
 )(
   (( segid "    " and resid 113  and name HA  ))
 )
      3.600     1.600     1.600 peak  1579 weight  0.10000E+01 volume  0.16900E+00 ppm1      3.750 ppm2      4.246
 ASSI (
   (( segid "    " and resid 55   and name HA  ))
 )(
   (( segid "    " and resid 56   and name H   ))
 )
      2.100     0.600     0.600 peak  1580 weight  0.10000E+01 volume  0.28190E+01 ppm1      4.262 ppm2      9.142
 ASSI (
   (( segid "    " and resid 55   and name HA  ))
 )(
   (( segid "    " and resid 55   and name H   ))
 )
      2.600     0.800     0.800 peak  1581 weight  0.10000E+01 volume  0.74700E+00 ppm1      4.267 ppm2      8.601
 ASSI (
   (( segid "    " and resid 55   and name HA  ))
 )(
   (( segid "    " and resid 55   and name HB  ))
 )
      2.700     0.900     0.900 peak  1582 weight  0.10000E+01 volume  0.70500E+00 ppm1      4.264 ppm2      1.927
 ASSI (
   (( segid "    " and resid 24   and name HA  ))
 )(
   (( segid "    " and resid 24   and name H   ))
 )
      3.000     1.100     1.100 peak  1585 weight  0.10000E+01 volume  0.31000E+00 ppm1      4.182 ppm2      9.274
 ASSI (
   (( segid "    " and resid 24   and name HA  ))
 )(
   (( segid "    " and resid 25   and name H   ))
 )
      2.100     0.600     0.600 peak  1586 weight  0.10000E+01 volume  0.26150E+01 ppm1      4.182 ppm2      8.740
 ASSI (
   (( segid "    " and resid 24   and name HA  ))
 )(
   (( segid "    " and resid 24   and name HG13))
 )
      2.800     1.000     1.000 peak  1588 weight  0.10000E+01 volume  0.48800E+00 ppm1      4.188 ppm2      0.922
 ASSI (
   (( segid "    " and resid 24   and name HA  ))
 )(
   (( segid "    " and resid 25   and name HB3 ))
 )
      3.400     1.400     1.400 peak  1593 weight  0.10000E+01 volume  0.17100E+00 ppm1      4.184 ppm2      3.172
 ASSI (
   (( segid "    " and resid 50   and name HA  ))
 )(
   (( segid "    " and resid 49   and name HB2 ))
 )
      3.600     1.600     1.600 peak  1594 weight  0.10000E+01 volume  0.11900E+00 ppm1      4.012 ppm2      3.309
 ASSI (
   (( segid "    " and resid 50   and name HA  ))
 )(
   (( segid "    " and resid 50   and name H   ))
 )
      2.800     1.000     1.000 peak  1600 weight  0.10000E+01 volume  0.50100E+00 ppm1      4.014 ppm2      8.606
 ASSI (
   (( segid "    " and resid 50   and name HA  ))
 )(
   (( segid "    " and resid 51   and name H   ))
 )
      3.000     1.100     1.100 peak  1601 weight  0.10000E+01 volume  0.35600E+00 ppm1      4.015 ppm2      7.593
 ASSI (
   (( segid "    " and resid 61   and name HA  ))
 )(
   (( segid "    " and resid 62   and name HD3 ))
 )
      2.300     0.700     0.700 peak  1607 weight  0.10000E+01 volume  0.16600E+01 ppm1      4.451 ppm2      3.822
 ASSI (
   (( segid "    " and resid 61   and name HA  ))
 )(
   (( segid "    " and resid 62   and name HD2 ))
 )
      2.300     0.700     0.700 peak  1608 weight  0.10000E+01 volume  0.15940E+01 ppm1      4.448 ppm2      3.641
 ASSI (
   (( segid "    " and resid 93   and name HA  ))
 )(
   (( segid "    " and resid 93   and name HB  ))
 )
      2.700     0.900     0.900 peak  1609 weight  0.10000E+01 volume  0.61200E+00 ppm1      4.566 ppm2      3.466
 ASSI (
   (( segid "    " and resid 14   and name HA  ))
 )(
   (( segid "    " and resid 14   and name HB  ))
 )
      2.600     0.800     0.800 peak  1611 weight  0.10000E+01 volume  0.77800E+00 ppm1      4.561 ppm2      2.025
 ASSI (
   (( segid "    " and resid 14   and name HA  ))
 )(
   (( segid "    " and resid 15   and name H   ))
 )
      2.100     0.600     0.600 peak  1616 weight  0.10000E+01 volume  0.30660E+01 ppm1      4.561 ppm2      8.754
 ASSI (
   (( segid "    " and resid 93   and name HA  ))
 )(
   (( segid "    " and resid 34   and name HD2 ))
 )
      3.000     1.100     1.100 peak  1617 weight  0.10000E+01 volume  0.57400E+00 ppm1      4.566 ppm2      6.329
 ASSI (
   (( segid "    " and resid 37   and name HA  ))
 )(
   (( segid "    " and resid 37   and name H   ))
 )
      2.700     0.900     0.900 peak  1618 weight  0.10000E+01 volume  0.66000E+00 ppm1      4.559 ppm2      9.100
 ASSI (
   (( segid "    " and resid 37   and name HA  ))
 )(
   (( segid "    " and resid 38   and name H   ))
 )
      2.500     0.800     0.800 peak  1619 weight  0.10000E+01 volume  0.11010E+01 ppm1      4.571 ppm2      8.011
 ASSI (
   (( segid "    " and resid 37   and name HA  ))
 )(
   (( segid "    " and resid 37   and name HB  ))
 )
      2.400     0.700     0.700 peak  1621 weight  0.10000E+01 volume  0.12380E+01 ppm1      4.567 ppm2      4.076
 ASSI (
   (( segid "    " and resid 48   and name HA  ))
 )(
   (( segid "    " and resid 49   and name H   ))
 )
      2.200     0.600     0.600 peak  1624 weight  0.10000E+01 volume  0.19040E+01 ppm1      4.576 ppm2      8.902
 ASSI (
   (( segid "    " and resid 48   and name HA  ))
 )(
   (( segid "    " and resid 48   and name H   ))
 )
      2.600     0.800     0.800 peak  1626 weight  0.10000E+01 volume  0.72100E+00 ppm1      4.585 ppm2      6.731
 ASSI (
   (( segid "    " and resid 64   and name HA  ))
 )(
   (( segid "    " and resid 65   and name H   ))
 )
      2.800     1.000     1.000 peak  1628 weight  0.10000E+01 volume  0.53900E+00 ppm1      4.432 ppm2      7.931
 ASSI (
   (( segid "    " and resid 64   and name HA  ))
 )(
   (( segid "    " and resid 64   and name H   ))
 )
      3.200     1.300     1.300 peak  1629 weight  0.10000E+01 volume  0.22100E+00 ppm1      4.432 ppm2      8.495
 ASSI (
   (( segid "    " and resid 96   and name HA  ))
 )(
   (( segid "    " and resid 96   and name H   ))
 )
      2.500     0.800     0.800 peak  1633 weight  0.10000E+01 volume  0.10920E+01 ppm1      4.367 ppm2      7.809
 ASSI (
   (( segid "    " and resid 96   and name HA  ))
 )(
   (( segid "    " and resid 97   and name H   ))
 )
      2.900     1.100     1.100 peak  1634 weight  0.10000E+01 volume  0.38700E+00 ppm1      4.372 ppm2      7.079
 ASSI (
   (( segid "    " and resid 59   and name HA  ))
 )(
   (( segid "    " and resid 60   and name HD3 ))
 )
      2.300     0.700     0.700 peak  1637 weight  0.10000E+01 volume  0.18740E+01 ppm1      4.447 ppm2      3.415
 ASSI (
   (( segid "    " and resid 59   and name HA  ))
 )(
   (( segid "    " and resid 60   and name HD2 ))
 )
      2.200     0.600     0.600 peak  1638 weight  0.10000E+01 volume  0.21440E+01 ppm1      4.449 ppm2      3.649
 ASSI (
   (( segid "    " and resid 59   and name HA  ))
 )(
   (( segid "    " and resid 59   and name H   ))
 )
      2.900     1.100     1.100 peak  1639 weight  0.10000E+01 volume  0.46000E+00 ppm1      4.449 ppm2      8.444
 ASSI (
   (( segid "    " and resid 63   and name HA  ))
 )(
   (( segid "    " and resid 63   and name HB3 ))
 )
      2.600     0.800     0.800 peak  1640 weight  0.10000E+01 volume  0.77100E+00 ppm1      4.509 ppm2      3.950
 ASSI (
   (( segid "    " and resid 63   and name HA  ))
 )(
   (( segid "    " and resid 63   and name HB2 ))
 )
      2.500     0.800     0.800 peak  1641 weight  0.10000E+01 volume  0.95500E+00 ppm1      4.511 ppm2      3.828
 ASSI (
   (( segid "    " and resid 63   and name HA  ))
 )(
   (( segid "    " and resid 63   and name H   ))
 )
      2.800     1.000     1.000 peak  1643 weight  0.10000E+01 volume  0.53200E+00 ppm1      4.506 ppm2      8.390
 ASSI (
   (( segid "    " and resid 41   and name HA  ))
 )(
   (( segid "    " and resid 41   and name HB3 ))
 )
      2.600     0.800     0.800 peak  1644 weight  0.10000E+01 volume  0.78500E+00 ppm1      4.498 ppm2      3.471
 ASSI (
   (( segid "    " and resid 41   and name HA  ))
 )(
   (( segid "    " and resid 42   and name H   ))
 )
      2.900     1.100     1.100 peak  1647 weight  0.10000E+01 volume  0.44000E+00 ppm1      4.501 ppm2      7.788
 ASSI (
   (( segid "    " and resid 58   and name HA  ))
 )(
   (( segid "    " and resid 75   and name H   ))
 )
      3.400     1.400     1.400 peak  1655 weight  0.10000E+01 volume  0.15800E+00 ppm1      4.379 ppm2      8.849
 ASSI (
   (( segid "    " and resid 58   and name HA  ))
 )(
   (( segid "    " and resid 58   and name H   ))
 )
      3.200     1.300     1.300 peak  1656 weight  0.10000E+01 volume  0.21200E+00 ppm1      4.376 ppm2      9.101
 ASSI (
   (( segid "    " and resid 113  and name HA  ))
 )(
   (( segid "    " and resid 113  and name HB2 ))
 )
      2.300     0.700     0.700 peak  1659 weight  0.10000E+01 volume  0.14800E+01 ppm1      4.261 ppm2      1.903
 ASSI (
   (( segid "    " and resid 113  and name HA  ))
 )(
   (( segid "    " and resid 113  and name HB3 ))
 )
      2.300     0.700     0.700 peak  1660 weight  0.10000E+01 volume  0.15270E+01 ppm1      4.262 ppm2      1.467
 ASSI (
   (( segid "    " and resid 113  and name HA  ))
 )(
   (( segid "    " and resid 113  and name H   ))
 )
      2.800     1.000     1.000 peak  1664 weight  0.10000E+01 volume  0.55300E+00 ppm1      4.267 ppm2      8.353
 ASSI (
   (( segid "    " and resid 104  and name HA  ))
 )(
   (( segid "    " and resid 104  and name H   ))
 )
      2.800     1.000     1.000 peak  1665 weight  0.10000E+01 volume  0.54300E+00 ppm1      4.192 ppm2      9.231
 ASSI (
   (( segid "    " and resid 104  and name HA  ))
 )(
   (( segid "    " and resid 105  and name H   ))
 )
      2.100     0.600     0.600 peak  1667 weight  0.10000E+01 volume  0.25570E+01 ppm1      4.192 ppm2      8.515
 ASSI (
   (( segid "    " and resid 102  and name HA  ))
 )(
   (( segid "    " and resid 102  and name H   ))
 )
      2.500     0.800     0.800 peak  1669 weight  0.10000E+01 volume  0.98500E+00 ppm1      4.223 ppm2      8.859
 ASSI (
   (( segid "    " and resid 6    and name HA  ))
 )(
   (( segid "    " and resid 7    and name H   ))
 )
      3.000     1.100     1.100 peak  1670 weight  0.10000E+01 volume  0.32200E+00 ppm1      4.207 ppm2      8.684
 ASSI (
   (( segid "    " and resid 8    and name HA  ))
 )(
   (( segid "    " and resid 8    and name H   ))
 )
      2.800     1.000     1.000 peak  1685 weight  0.10000E+01 volume  0.48900E+00 ppm1      4.379 ppm2      8.470
 ASSI (
   (( segid "    " and resid 81   and name HA  ))
 )(
   (( segid "    " and resid 53   and name H   ))
 )
      3.100     1.200     1.200 peak  1686 weight  0.10000E+01 volume  0.27800E+00 ppm1      4.427 ppm2      8.420
 ASSI (
   (( segid "    " and resid 8    and name HA  ))
 )(
   (( segid "    " and resid 9    and name H   ))
 )
      2.400     0.700     0.700 peak  1687 weight  0.10000E+01 volume  0.12810E+01 ppm1      4.382 ppm2      8.286
 ASSI (
   (( segid "    " and resid 67   and name HA  ))
 )(
   (( segid "    " and resid 68   and name H   ))
 )
      2.500     0.800     0.800 peak  1691 weight  0.10000E+01 volume  0.10620E+01 ppm1      4.455 ppm2      8.052
 ASSI (
   (( segid "    " and resid 97   and name HA  ))
 )(
   (( segid "    " and resid 98   and name H   ))
 )
      2.900     1.100     1.100 peak  1692 weight  0.10000E+01 volume  0.42000E+00 ppm1      4.260 ppm2      7.396
 ASSI (
   (( segid "    " and resid 97   and name HA  ))
 )(
   (( segid "    " and resid 97   and name H   ))
 )
      2.600     0.800     0.800 peak  1694 weight  0.10000E+01 volume  0.85500E+00 ppm1      4.264 ppm2      7.056
 ASSI (
   (( segid "    " and resid 47   and name HA  ))
 )(
   (( segid "    " and resid 47   and name HB3 ))
 )
      2.400     0.700     0.700 peak  1696 weight  0.10000E+01 volume  0.14280E+01 ppm1      4.247 ppm2      1.557
 ASSI (
   (( segid "    " and resid 47   and name HA  ))
 )(
   (( segid "    " and resid 41   and name HB3 ))
 )
      3.000     1.100     1.100 peak  1699 weight  0.10000E+01 volume  0.36100E+00 ppm1      4.243 ppm2      3.449
 ASSI (
   (( segid "    " and resid 47   and name HA  ))
 )(
   (( segid "    " and resid 48   and name H   ))
 )
      3.100     1.200     1.200 peak  1700 weight  0.10000E+01 volume  0.25400E+00 ppm1      4.237 ppm2      6.715
 ASSI (
   (( segid "    " and resid 47   and name HA  ))
 )(
   (( segid "    " and resid 47   and name H   ))
 )
      2.700     0.900     0.900 peak  1702 weight  0.10000E+01 volume  0.58800E+00 ppm1      4.246 ppm2      8.850
 ASSI (
   (( segid "    " and resid 92   and name HA  ))
 )(
   (( segid "    " and resid 93   and name H   ))
 )
      2.200     0.600     0.600 peak  1707 weight  0.10000E+01 volume  0.20440E+01 ppm1      4.379 ppm2      8.203
 ASSI (
   (( segid "    " and resid 92   and name HA  ))
 )(
   (( segid "    " and resid 92   and name HB2 ))
 )
      3.100     1.200     1.200 peak  1708 weight  0.10000E+01 volume  0.28000E+00 ppm1      4.370 ppm2      2.227
 ASSI (
   (( segid "    " and resid 20   and name HA  ))
 )(
   (( segid "    " and resid 20   and name HD3 ))
 )
      3.000     1.100     1.100 peak  1713 weight  0.10000E+01 volume  0.32600E+00 ppm1      4.536 ppm2      1.445
 ASSI (
   (( segid "    " and resid 20   and name HA  ))
 )(
   (( segid "    " and resid 20   and name HD2 ))
 )
      2.800     1.000     1.000 peak  1714 weight  0.10000E+01 volume  0.52400E+00 ppm1      4.547 ppm2      1.271
 ASSI (
   (( segid "    " and resid 35   and name HA  ))
 )(
   (( segid "    " and resid 36   and name H   ))
 )
      2.500     0.800     0.800 peak  1715 weight  0.10000E+01 volume  0.10620E+01 ppm1      4.547 ppm2      5.827
 ASSI (
   (( segid "    " and resid 35   and name HA  ))
 )(
   (( segid "    " and resid 35   and name H   ))
 )
      2.900     1.100     1.100 peak  1717 weight  0.10000E+01 volume  0.37800E+00 ppm1      4.558 ppm2      8.298
 ASSI (
   (( segid "    " and resid 20   and name HA  ))
 )(
   (( segid "    " and resid 21   and name H   ))
 )
      2.200     0.600     0.600 peak  1718 weight  0.10000E+01 volume  0.21140E+01 ppm1      4.532 ppm2      8.801
 ASSI (
   (( segid "    " and resid 109  and name HA  ))
 )(
   (( segid "    " and resid 110  and name H   ))
 )
      2.400     0.700     0.700 peak  1720 weight  0.10000E+01 volume  0.12900E+01 ppm1      4.516 ppm2      9.090
 ASSI (
   (( segid "    " and resid 12   and name HG2 ))
 )(
   (( segid "    " and resid 12   and name HG3 ))
 )
      1.900     0.500     0.500 peak  1741 weight  0.10000E+01 volume  0.36930E+01 ppm1      1.226 ppm2      1.440
 ASSI (
   (( segid "    " and resid 12   and name HG2 ))
 )(
   (( segid "    " and resid 12   and name HA  ))
 )
      3.100     1.200     1.200 peak  1743 weight  0.10000E+01 volume  0.27100E+00 ppm1      1.223 ppm2      4.674
 ASSI (
   (( segid "    " and resid 12   and name HG2 ))
 )(
   (( segid "    " and resid 12   and name H   ))
 )
      2.900     1.100     1.100 peak  1744 weight  0.10000E+01 volume  0.25200E+00 ppm1      1.224 ppm2      8.147
 ASSI (
   (( segid "    " and resid 12   and name HG2 ))
 )(
   (( segid "    " and resid 13   and name H   ))
 )
      3.200     1.300     1.300 peak  1745 weight  0.10000E+01 volume  0.15800E+00 ppm1      1.228 ppm2      8.916
 ASSI (
   (( segid "    " and resid 44   and name HG3 ))
 )(
   (( segid "    " and resid 44   and name H   ))
 )
      2.500     0.800     0.800 peak  1755 weight  0.10000E+01 volume  0.67400E+00 ppm1      1.444 ppm2      8.099
 ASSI (
   (( segid "    " and resid 27   and name HG2 ))
 )(
   (( segid "    " and resid 27   and name H   ))
 )
      2.500     0.800     0.800 peak  1758 weight  0.10000E+01 volume  0.61900E+00 ppm1      1.459 ppm2      8.742
 ASSI (
   (( segid "    " and resid 27   and name HG3 ))
 )(
   (( segid "    " and resid 27   and name H   ))
 )
      2.800     1.000     1.000 peak  1759 weight  0.10000E+01 volume  0.34600E+00 ppm1      1.571 ppm2      8.715
 ASSI (
   (( segid "    " and resid 27   and name HG3 ))
 )(
   (( segid "    " and resid 27   and name HB2 ))
 )
      2.400     0.700     0.700 peak  1760 weight  0.10000E+01 volume  0.92800E+00 ppm1      1.567 ppm2      1.892
 ASSI (
   (( segid "    " and resid 105  and name HG3 ))
 )(
   (( segid "    " and resid 106  and name H   ))
 )
      2.600     0.800     0.800 peak  1764 weight  0.10000E+01 volume  0.47800E+00 ppm1      1.770 ppm2      8.489
 ASSI (
   (( segid "    " and resid 105  and name HG3 ))
 )(
   (( segid "    " and resid 105  and name HE  ))
 )
      2.800     1.000     1.000 peak  1767 weight  0.10000E+01 volume  0.32000E+00 ppm1      1.767 ppm2      7.193
 ASSI (
   (( segid "    " and resid 44   and name HG2 ))
 )(
   (( segid "    " and resid 44   and name H   ))
 )
      2.600     0.800     0.800 peak  1769 weight  0.10000E+01 volume  0.53500E+00 ppm1      1.322 ppm2      8.095
 ASSI (
   (( segid "    " and resid 113  and name HG3 ))
 )(
   (( segid "    " and resid 113  and name H   ))
 )
      3.000     1.100     1.100 peak  1770 weight  0.10000E+01 volume  0.23100E+00 ppm1      1.377 ppm2      8.348
 ASSI (
   (( segid "    " and resid 88   and name HB3 ))
 )(
   (( segid "    " and resid 88   and name HB2 ))
 )
      2.200     0.600     0.600 peak  1773 weight  0.10000E+01 volume  0.14200E+01 ppm1      0.999 ppm2      1.990
 ASSI (
   (( segid "    " and resid 88   and name HB3 ))
 )(
   (( segid "    " and resid 88   and name HG  ))
 )
      2.400     0.700     0.700 peak  1775 weight  0.10000E+01 volume  0.75100E+00 ppm1      1.002 ppm2      1.353
 ASSI (
   (( segid "    " and resid 88   and name HB3 ))
 )(
   (( segid "    " and resid 88   and name H   ))
 )
      2.800     1.000     1.000 peak  1779 weight  0.10000E+01 volume  0.30900E+00 ppm1      0.997 ppm2      9.207
 ASSI (
   (( segid "    " and resid 88   and name HB2 ))
 )(
   (( segid "    " and resid 88   and name HG  ))
 )
      2.500     0.800     0.800 peak  1780 weight  0.10000E+01 volume  0.67600E+00 ppm1      1.983 ppm2      1.345
 ASSI (
   (( segid "    " and resid 88   and name HB2 ))
 )(
   (( segid "    " and resid 88   and name HA  ))
 )
      3.000     1.100     1.100 peak  1784 weight  0.10000E+01 volume  0.37200E+00 ppm1      1.986 ppm2      4.439
 ASSI (
   (( segid "    " and resid 88   and name HB2 ))
 )(
   (( segid "    " and resid 88   and name H   ))
 )
      2.700     0.900     0.900 peak  1785 weight  0.10000E+01 volume  0.38300E+00 ppm1      1.989 ppm2      9.224
 ASSI (
   (( segid "    " and resid 110  and name HB2 ))
 )(
   (( segid "    " and resid 110  and name HA  ))
 )
      3.000     1.100     1.100 peak  1788 weight  0.10000E+01 volume  0.34400E+00 ppm1      1.677 ppm2      4.949
 ASSI (
   (( segid "    " and resid 110  and name HB3 ))
 )(
   (( segid "    " and resid 110  and name HA  ))
 )
      2.800     1.000     1.000 peak  1789 weight  0.10000E+01 volume  0.53400E+00 ppm1      1.191 ppm2      4.948
 ASSI (
   (( segid "    " and resid 110  and name HB3 ))
 )(
   (( segid "    " and resid 110  and name HB2 ))
 )
      2.000     0.500     0.500 peak  1790 weight  0.10000E+01 volume  0.23400E+01 ppm1      1.187 ppm2      1.671
 ASSI (
   (( segid "    " and resid 110  and name HB3 ))
 )(
   (( segid "    " and resid 110  and name HG  ))
 )
      2.400     0.700     0.700 peak  1791 weight  0.10000E+01 volume  0.77800E+00 ppm1      1.188 ppm2      1.374
 ASSI (
   (( segid "    " and resid 110  and name HB2 ))
 )(
   (( segid "    " and resid 110  and name HG  ))
 )
      2.400     0.700     0.700 peak  1792 weight  0.10000E+01 volume  0.80200E+00 ppm1      1.673 ppm2      1.372
 ASSI (
   (( segid "    " and resid 90   and name HB2 ))
 )(
   (( segid "    " and resid 90   and name HG  ))
 )
      2.400     0.700     0.700 peak  1798 weight  0.10000E+01 volume  0.83700E+00 ppm1      1.748 ppm2      1.547
 ASSI (
   (( segid "    " and resid 90   and name HB3 ))
 )(
   (( segid "    " and resid 90   and name HG  ))
 )
      2.300     0.700     0.700 peak  1799 weight  0.10000E+01 volume  0.96800E+00 ppm1      2.263 ppm2      1.544
 ASSI (
   (( segid "    " and resid 90   and name HB3 ))
 )(
   (( segid "    " and resid 90   and name HB2 ))
 )
      2.200     0.600     0.600 peak  1803 weight  0.10000E+01 volume  0.15730E+01 ppm1      2.261 ppm2      1.753
 ASSI (
   (( segid "    " and resid 90   and name HB2 ))
 )(
   (( segid "    " and resid 106  and name HB3 ))
 )
      2.700     0.900     0.900 peak  1805 weight  0.10000E+01 volume  0.41100E+00 ppm1      1.753 ppm2      2.563
 ASSI (
   (( segid "    " and resid 90   and name HB3 ))
 )(
   (( segid "    " and resid 106  and name HB3 ))
 )
      2.600     0.800     0.800 peak  1806 weight  0.10000E+01 volume  0.46900E+00 ppm1      2.262 ppm2      2.549
 ASSI (
   (( segid "    " and resid 90   and name HB2 ))
 )(
   (( segid "    " and resid 90   and name HA  ))
 )
      3.000     1.100     1.100 peak  1809 weight  0.10000E+01 volume  0.33800E+00 ppm1      1.753 ppm2      5.665
 ASSI (
   (( segid "    " and resid 90   and name HB3 ))
 )(
   (( segid "    " and resid 36   and name HE3 ))
 )
      2.900     1.100     1.100 peak  1810 weight  0.10000E+01 volume  0.50800E+00 ppm1      2.263 ppm2      7.171
 ASSI (
   (( segid "    " and resid 90   and name HB3 ))
 )(
   (( segid "    " and resid 91   and name H   ))
 )
      3.200     1.300     1.300 peak  1812 weight  0.10000E+01 volume  0.16300E+00 ppm1      2.255 ppm2      9.398
 ASSI (
   (( segid "    " and resid 90   and name HB3 ))
 )(
   (( segid "    " and resid 90   and name H   ))
 )
      2.800     1.000     1.000 peak  1813 weight  0.10000E+01 volume  0.35500E+00 ppm1      2.258 ppm2      9.198
 ASSI (
   (( segid "    " and resid 90   and name HB2 ))
 )(
   (( segid "    " and resid 91   and name H   ))
 )
      3.000     1.100     1.100 peak  1814 weight  0.10000E+01 volume  0.24400E+00 ppm1      1.754 ppm2      9.405
 ASSI (
   (( segid "    " and resid 90   and name HB2 ))
 )(
   (( segid "    " and resid 90   and name H   ))
 )
      2.900     1.100     1.100 peak  1815 weight  0.10000E+01 volume  0.27700E+00 ppm1      1.752 ppm2      9.199
 ASSI (
   (( segid "    " and resid 38   and name HD2 ))
 )(
   (( segid "    " and resid 38   and name HG2 ))
 )
      2.700     0.900     0.900 peak  1818 weight  0.10000E+01 volume  0.43400E+00 ppm1      2.414 ppm2      1.762
 ASSI (
   (( segid "    " and resid 38   and name HD3 ))
 )(
   (( segid "    " and resid 38   and name HG2 ))
 )
      2.700     0.900     0.900 peak  1819 weight  0.10000E+01 volume  0.45400E+00 ppm1      2.351 ppm2      1.756
 ASSI (
   (( segid "    " and resid 38   and name HD3 ))
 )(
   (( segid "    " and resid 38   and name HB3 ))
 )
      3.100     1.200     1.200 peak  1824 weight  0.10000E+01 volume  0.17400E+00 ppm1      2.344 ppm2      1.204
 ASSI (
   (( segid "    " and resid 38   and name HD2 ))
 )(
   (( segid "    " and resid 38   and name HE  ))
 )
      2.700     0.900     0.900 peak  1832 weight  0.10000E+01 volume  0.43100E+00 ppm1      2.422 ppm2      7.431
 ASSI (
   (( segid "    " and resid 38   and name HD3 ))
 )(
   (( segid "    " and resid 38   and name HE  ))
 )
      2.700     0.900     0.900 peak  1833 weight  0.10000E+01 volume  0.39600E+00 ppm1      2.367 ppm2      7.422
 ASSI (
   (( segid "    " and resid 94   and name HD3 ))
 )(
   (( segid "    " and resid 94   and name HB2 ))
 )
      2.800     1.000     1.000 peak  1838 weight  0.10000E+01 volume  0.32200E+00 ppm1      2.689 ppm2      1.167
 ASSI (
   (( segid "    " and resid 94   and name HD2 ))
 )(
   (( segid "    " and resid 94   and name HB2 ))
 )
      2.800     1.000     1.000 peak  1839 weight  0.10000E+01 volume  0.31500E+00 ppm1      2.574 ppm2      1.175
 ASSI (
   (( segid "    " and resid 94   and name HD3 ))
 )(
   (( segid "    " and resid 94   and name HB3 ))
 )
      2.700     0.900     0.900 peak  1840 weight  0.10000E+01 volume  0.46400E+00 ppm1      2.688 ppm2      0.934
 ASSI (
   (( segid "    " and resid 94   and name HD3 ))
 )(
   (( segid "    " and resid 94   and name HG2 ))
 )
      2.600     0.800     0.800 peak  1842 weight  0.10000E+01 volume  0.50400E+00 ppm1      2.691 ppm2      0.297
 ASSI (
   (( segid "    " and resid 94   and name HD3 ))
 )(
   (( segid "    " and resid 94   and name HE  ))
 )
      2.700     0.900     0.900 peak  1846 weight  0.10000E+01 volume  0.44800E+00 ppm1      2.690 ppm2      6.398
 ASSI (
   (( segid "    " and resid 94   and name HD2 ))
 )(
   (( segid "    " and resid 94   and name HE  ))
 )
      2.600     0.800     0.800 peak  1852 weight  0.10000E+01 volume  0.51100E+00 ppm1      2.574 ppm2      6.399
 ASSI (
   (( segid "    " and resid 11   and name HB3 ))
 )(
   (( segid "    " and resid 11   and name HA  ))
 )
      2.800     1.000     1.000 peak  1854 weight  0.10000E+01 volume  0.53500E+00 ppm1      2.439 ppm2      4.926
 ASSI (
   (( segid "    " and resid 11   and name HB3 ))
 )(
   (( segid "    " and resid 109  and name HD2 ))
 )
      3.300     1.400     1.400 peak  1855 weight  0.10000E+01 volume  0.21100E+00 ppm1      2.439 ppm2      5.999
 ASSI (
   (( segid "    " and resid 11   and name HB3 ))
 )(
   (( segid "    " and resid 12   and name H   ))
 )
      3.000     1.100     1.100 peak  1861 weight  0.10000E+01 volume  0.22100E+00 ppm1      2.438 ppm2      8.146
 ASSI (
   (( segid "    " and resid 106  and name HB3 ))
 )(
   (( segid "    " and resid 106  and name H   ))
 )
      3.000     1.100     1.100 peak  1863 weight  0.10000E+01 volume  0.24300E+00 ppm1      2.543 ppm2      8.467
 ASSI (
   (( segid "    " and resid 106  and name HB2 ))
 )(
   (( segid "    " and resid 106  and name HA  ))
 )
      3.000     1.100     1.100 peak  1869 weight  0.10000E+01 volume  0.33000E+00 ppm1      2.674 ppm2      4.700
 ASSI (
   (( segid "    " and resid 49   and name HB2 ))
 )(
   (( segid "    " and resid 50   and name H   ))
 )
      2.300     0.700     0.700 peak  1882 weight  0.10000E+01 volume  0.11490E+01 ppm1      3.308 ppm2      8.600
 ASSI (
   (( segid "    " and resid 49   and name HB3 ))
 )(
   (( segid "    " and resid 50   and name H   ))
 )
      2.400     0.700     0.700 peak  1883 weight  0.10000E+01 volume  0.86600E+00 ppm1      2.872 ppm2      8.603
 ASSI (
   (( segid "    " and resid 49   and name HB3 ))
 )(
   (( segid "    " and resid 51   and name H   ))
 )
      3.500     1.500     1.500 peak  1887 weight  0.10000E+01 volume  0.94000E-01 ppm1      2.850 ppm2      7.605
 ASSI (
   (( segid "    " and resid 49   and name HB2 ))
 )(
   (( segid "    " and resid 51   and name H   ))
 )
      3.100     1.200     1.200 peak  1888 weight  0.10000E+01 volume  0.19300E+00 ppm1      3.313 ppm2      7.586
 ASSI (
   (( segid "    " and resid 49   and name HB3 ))
 )(
   (( segid "    " and resid 49   and name HA  ))
 )
      2.700     0.900     0.900 peak  1889 weight  0.10000E+01 volume  0.62100E+00 ppm1      2.865 ppm2      4.720
 ASSI (
   (( segid "    " and resid 49   and name HB2 ))
 )(
   (( segid "    " and resid 49   and name HA  ))
 )
      2.700     0.900     0.900 peak  1890 weight  0.10000E+01 volume  0.61100E+00 ppm1      3.304 ppm2      4.720
 ASSI (
   (( segid "    " and resid 49   and name HB3 ))
 )(
   (( segid "    " and resid 49   and name HB2 ))
 )
      2.100     0.600     0.600 peak  1894 weight  0.10000E+01 volume  0.18020E+01 ppm1      2.871 ppm2      3.305
 ASSI (
   (( segid "    " and resid 81   and name HD3 ))
 )(
   (( segid "    " and resid 53   and name HB3 ))
 )
      2.800     1.000     1.000 peak  1916 weight  0.10000E+01 volume  0.36100E+00 ppm1      3.093 ppm2      2.173
 ASSI (
   (( segid "    " and resid 81   and name HD3 ))
 )(
   (( segid "    " and resid 81   and name HB2 ))
 )
      2.500     0.800     0.800 peak  1919 weight  0.10000E+01 volume  0.74400E+00 ppm1      3.096 ppm2      1.702
 ASSI (
   (( segid "    " and resid 81   and name HD2 ))
 )(
   (( segid "    " and resid 81   and name HB2 ))
 )
      2.400     0.700     0.700 peak  1920 weight  0.10000E+01 volume  0.82500E+00 ppm1      3.015 ppm2      1.714
 ASSI (
   (( segid "    " and resid 81   and name HD3 ))
 )(
   (( segid "    " and resid 81   and name HA  ))
 )
      3.100     1.200     1.200 peak  1925 weight  0.10000E+01 volume  0.29500E+00 ppm1      3.093 ppm2      4.419
 ASSI (
   (( segid "    " and resid 81   and name HD2 ))
 )(
   (( segid "    " and resid 81   and name HA  ))
 )
      3.300     1.400     1.400 peak  1926 weight  0.10000E+01 volume  0.18300E+00 ppm1      3.008 ppm2      4.419
 ASSI (
   (( segid "    " and resid 81   and name HD3 ))
 )(
   (( segid "    " and resid 50   and name HA  ))
 )
      3.100     1.200     1.200 peak  1927 weight  0.10000E+01 volume  0.26600E+00 ppm1      3.098 ppm2      4.027
 ASSI (
   (( segid "    " and resid 81   and name HD2 ))
 )(
   (( segid "    " and resid 50   and name HA  ))
 )
      3.300     1.400     1.400 peak  1928 weight  0.10000E+01 volume  0.20700E+00 ppm1      3.019 ppm2      4.024
 ASSI (
   (( segid "    " and resid 81   and name HD3 ))
 )(
   (( segid "    " and resid 81   and name HE  ))
 )
      2.700     0.900     0.900 peak  1929 weight  0.10000E+01 volume  0.39700E+00 ppm1      3.096 ppm2      7.257
 ASSI (
   (( segid "    " and resid 81   and name HD2 ))
 )(
   (( segid "    " and resid 81   and name HE  ))
 )
      3.100     1.200     1.200 peak  1930 weight  0.10000E+01 volume  0.18200E+00 ppm1      3.013 ppm2      7.251
 ASSI (
   (( segid "    " and resid 81   and name HD3 ))
 )(
   (( segid "    " and resid 49   and name H   ))
 )
      3.200     1.300     1.300 peak  1931 weight  0.10000E+01 volume  0.15000E+00 ppm1      3.099 ppm2      8.936
 ASSI (
   (( segid "    " and resid 58   and name HB2 ))
 )(
   (( segid "    " and resid 58   and name HA  ))
 )
      2.400     0.700     0.700 peak  1935 weight  0.10000E+01 volume  0.12530E+01 ppm1      2.601 ppm2      4.367
 ASSI (
   (( segid "    " and resid 58   and name HB2 ))
 )(
   (( segid "    " and resid 58   and name HB3 ))
 )
      2.000     0.500     0.500 peak  1938 weight  0.10000E+01 volume  0.22490E+01 ppm1      2.597 ppm2      2.441
 ASSI (
   (( segid "    " and resid 74   and name HB2 ))
 )(
   (( segid "    " and resid 74   and name HB3 ))
 )
      2.000     0.500     0.500 peak  1939 weight  0.10000E+01 volume  0.23450E+01 ppm1      2.758 ppm2      2.420
 ASSI (
   (( segid "    " and resid 74   and name HB2 ))
 )(
   (( segid "    " and resid 26   and name HB3 ))
 )
      3.000     1.100     1.100 peak  1942 weight  0.10000E+01 volume  0.20900E+00 ppm1      2.757 ppm2      0.317
 ASSI (
   (( segid "    " and resid 58   and name HB2 ))
 )(
   (( segid "    " and resid 58   and name H   ))
 )
      2.500     0.800     0.800 peak  1947 weight  0.10000E+01 volume  0.71000E+00 ppm1      2.595 ppm2      9.081
 ASSI (
   (( segid "    " and resid 58   and name HB3 ))
 )(
   (( segid "    " and resid 58   and name H   ))
 )
      2.500     0.800     0.800 peak  1948 weight  0.10000E+01 volume  0.64800E+00 ppm1      2.443 ppm2      9.087
 ASSI (
   (( segid "    " and resid 74   and name HB2 ))
 )(
   (( segid "    " and resid 74   and name H   ))
 )
      2.800     1.000     1.000 peak  1949 weight  0.10000E+01 volume  0.37100E+00 ppm1      2.760 ppm2      9.424
 ASSI (
   (( segid "    " and resid 74   and name HB3 ))
 )(
   (( segid "    " and resid 74   and name H   ))
 )
      2.900     1.100     1.100 peak  1950 weight  0.10000E+01 volume  0.29100E+00 ppm1      2.425 ppm2      9.428
 ASSI (
   (( segid "    " and resid 74   and name HB2 ))
 )(
   (( segid "    " and resid 26   and name H   ))
 )
      2.900     1.100     1.100 peak  1951 weight  0.10000E+01 volume  0.24700E+00 ppm1      2.753 ppm2      8.911
 ASSI (
   (( segid "    " and resid 10   and name HB2 ))
 )(
   (( segid "    " and resid 10   and name HB3 ))
 )
      1.800     0.400     0.400 peak  1952 weight  0.10000E+01 volume  0.50740E+01 ppm1      2.999 ppm2      2.839
 ASSI (
   (( segid "    " and resid 10   and name HB2 ))
 )(
   (( segid "    " and resid 106  and name HB2 ))
 )
      2.900     1.100     1.100 peak  1954 weight  0.10000E+01 volume  0.27100E+00 ppm1      2.999 ppm2      2.676
 ASSI (
   (( segid "    " and resid 10   and name HB3 ))
 )(
   (( segid "    " and resid 10   and name HD21))
 )
      2.700     0.900     0.900 peak  1960 weight  0.10000E+01 volume  0.57800E+00 ppm1      2.851 ppm2      7.669
 ASSI (
   (( segid "    " and resid 10   and name HB2 ))
 )(
   (( segid "    " and resid 10   and name HD21))
 )
      2.500     0.800     0.800 peak  1961 weight  0.10000E+01 volume  0.80200E+00 ppm1      2.999 ppm2      7.672
 ASSI (
   (( segid "    " and resid 10   and name HB3 ))
 )(
   (( segid "    " and resid 10   and name HD22))
 )
      3.100     1.200     1.200 peak  1963 weight  0.10000E+01 volume  0.24700E+00 ppm1      2.846 ppm2      6.935
 ASSI (
   (( segid "    " and resid 41   and name HB2 ))
 )(
   (( segid "    " and resid 41   and name HB3 ))
 )
      2.000     0.500     0.500 peak  1968 weight  0.10000E+01 volume  0.25930E+01 ppm1      2.971 ppm2      3.470
 ASSI (
   (( segid "    " and resid 103  and name HB3 ))
 )(
   (( segid "    " and resid 103  and name HB2 ))
 )
      2.000     0.500     0.500 peak  1969 weight  0.10000E+01 volume  0.28180E+01 ppm1      3.074 ppm2      2.585
 ASSI (
   (( segid "    " and resid 41   and name HB2 ))
 )(
   (( segid "    " and resid 38   and name HB2 ))
 )
      2.500     0.800     0.800 peak  1975 weight  0.10000E+01 volume  0.66300E+00 ppm1      2.970 ppm2      1.642
 ASSI (
   (( segid "    " and resid 41   and name HB2 ))
 )(
   (( segid "    " and resid 41   and name HA  ))
 )
      2.600     0.800     0.800 peak  1985 weight  0.10000E+01 volume  0.74200E+00 ppm1      2.969 ppm2      4.500
 ASSI (
   (( segid "    " and resid 103  and name HB3 ))
 )(
   (( segid "    " and resid 103  and name HA  ))
 )
      2.600     0.800     0.800 peak  1988 weight  0.10000E+01 volume  0.79700E+00 ppm1      3.069 ppm2      4.852
 ASSI (
   (( segid "    " and resid 41   and name HB2 ))
 )(
   (( segid "    " and resid 41   and name H   ))
 )
      2.600     0.800     0.800 peak  1996 weight  0.10000E+01 volume  0.52800E+00 ppm1      2.965 ppm2      8.634
 ASSI (
   (( segid "    " and resid 41   and name HB3 ))
 )(
   (( segid "    " and resid 41   and name H   ))
 )
      2.800     1.000     1.000 peak  1997 weight  0.10000E+01 volume  0.31500E+00 ppm1      3.477 ppm2      8.619
 ASSI (
   (( segid "    " and resid 103  and name HB3 ))
 )(
   (( segid "    " and resid 104  and name H   ))
 )
      3.000     1.100     1.100 peak  1998 weight  0.10000E+01 volume  0.22700E+00 ppm1      3.069 ppm2      9.228
 ASSI (
   (( segid "    " and resid 103  and name HB2 ))
 )(
   (( segid "    " and resid 104  and name H   ))
 )
      3.000     1.100     1.100 peak  1999 weight  0.10000E+01 volume  0.21000E+00 ppm1      2.575 ppm2      9.223
 ASSI (
   (( segid "    " and resid 103  and name HB2 ))
 )(
   (( segid "    " and resid 103  and name HA  ))
 )
      2.800     1.000     1.000 peak  2001 weight  0.10000E+01 volume  0.56400E+00 ppm1      2.584 ppm2      4.842
 ASSI (
   (( segid "    " and resid 45   and name HB2 ))
 )(
   (( segid "    " and resid 46   and name H   ))
 )
      2.700     0.900     0.900 peak  2011 weight  0.10000E+01 volume  0.40200E+00 ppm1      2.792 ppm2      7.628
 ASSI (
   (( segid "    " and resid 45   and name HB3 ))
 )(
   (( segid "    " and resid 46   and name H   ))
 )
      2.700     0.900     0.900 peak  2012 weight  0.10000E+01 volume  0.40500E+00 ppm1      2.727 ppm2      7.638
 ASSI (
   (( segid "    " and resid 45   and name HB2 ))
 )(
   (( segid "    " and resid 45   and name H   ))
 )
      2.500     0.800     0.800 peak  2013 weight  0.10000E+01 volume  0.68900E+00 ppm1      2.794 ppm2      8.523
 ASSI (
   (( segid "    " and resid 9    and name HB3 ))
 )(
   (( segid "    " and resid 9    and name HA  ))
 )
      2.600     0.800     0.800 peak  2018 weight  0.10000E+01 volume  0.74200E+00 ppm1      2.677 ppm2      4.710
 ASSI (
   (( segid "    " and resid 9    and name HB2 ))
 )(
   (( segid "    " and resid 9    and name H   ))
 )
      2.500     0.800     0.800 peak  2020 weight  0.10000E+01 volume  0.59100E+00 ppm1      2.782 ppm2      8.280
 ASSI (
   (( segid "    " and resid 9    and name HB3 ))
 )(
   (( segid "    " and resid 9    and name H   ))
 )
      2.400     0.700     0.700 peak  2021 weight  0.10000E+01 volume  0.76200E+00 ppm1      2.682 ppm2      8.286
 ASSI (
   (( segid "    " and resid 47   and name HB2 ))
 )(
   (( segid "    " and resid 47   and name HA  ))
 )
      2.700     0.900     0.900 peak  2031 weight  0.10000E+01 volume  0.65300E+00 ppm1      1.073 ppm2      4.252
 ASSI (
   (( segid "    " and resid 47   and name HB3 ))
 )(
   (( segid "    " and resid 38   and name HD3 ))
 )
      2.900     1.100     1.100 peak  2032 weight  0.10000E+01 volume  0.28100E+00 ppm1      1.558 ppm2      2.376
 ASSI (
   (( segid "    " and resid 47   and name HB2 ))
 )(
   (( segid "    " and resid 47   and name HB3 ))
 )
      1.900     0.500     0.500 peak  2034 weight  0.10000E+01 volume  0.29420E+01 ppm1      1.076 ppm2      1.559
 ASSI (
   (( segid "    " and resid 47   and name HB3 ))
 )(
   (( segid "    " and resid 47   and name H   ))
 )
      2.800     1.000     1.000 peak  2042 weight  0.10000E+01 volume  0.35300E+00 ppm1      1.559 ppm2      8.858
 ASSI (
   (( segid "    " and resid 47   and name HB2 ))
 )(
   (( segid "    " and resid 47   and name H   ))
 )
      3.000     1.100     1.100 peak  2043 weight  0.10000E+01 volume  0.24100E+00 ppm1      1.067 ppm2      8.851
 ASSI (
   (( segid "    " and resid 24   and name HB  ))
 )(
   (( segid "    " and resid 24   and name HG12))
 )
      2.400     0.700     0.700 peak  2044 weight  0.10000E+01 volume  0.80600E+00 ppm1      1.365 ppm2      1.136
 ASSI (
   (( segid "    " and resid 24   and name HB  ))
 )(
   (( segid "    " and resid 24   and name HG13))
 )
      2.500     0.800     0.800 peak  2045 weight  0.10000E+01 volume  0.69400E+00 ppm1      1.368 ppm2      0.914
 ASSI (
   (( segid "    " and resid 24   and name HB  ))
 )(
   (( segid "    " and resid 76   and name HB  ))
 )
      2.100     0.600     0.600 peak  2049 weight  0.10000E+01 volume  0.16570E+01 ppm1      1.367 ppm2      1.726
 ASSI (
   (( segid "    " and resid 24   and name HB  ))
 )(
   (( segid "    " and resid 24   and name HA  ))
 )
      2.800     1.000     1.000 peak  2050 weight  0.10000E+01 volume  0.46800E+00 ppm1      1.363 ppm2      4.182
 ASSI (
   (( segid "    " and resid 24   and name HB  ))
 )(
   (( segid "    " and resid 23   and name HA  ))
 )
      3.200     1.300     1.300 peak  2051 weight  0.10000E+01 volume  0.21100E+00 ppm1      1.361 ppm2      5.302
 ASSI (
   (( segid "    " and resid 24   and name HB  ))
 )(
   (( segid "    " and resid 24   and name H   ))
 )
      2.500     0.800     0.800 peak  2052 weight  0.10000E+01 volume  0.70000E+00 ppm1      1.363 ppm2      9.293
 ASSI (
   (( segid "    " and resid 24   and name HB  ))
 )(
   (( segid "    " and resid 76   and name H   ))
 )
      3.000     1.100     1.100 peak  2053 weight  0.10000E+01 volume  0.21300E+00 ppm1      1.365 ppm2      9.183
 ASSI (
   (( segid "    " and resid 77   and name HB3 ))
 )(
   (( segid "    " and resid 55   and name HB  ))
 )
      2.500     0.800     0.800 peak  2060 weight  0.10000E+01 volume  0.71500E+00 ppm1      1.189 ppm2      1.908
 ASSI (
   (( segid "    " and resid 77   and name HB3 ))
 )(
   (( segid "    " and resid 77   and name HG  ))
 )
      2.400     0.700     0.700 peak  2062 weight  0.10000E+01 volume  0.74600E+00 ppm1      1.197 ppm2      1.512
 ASSI (
   (( segid "    " and resid 77   and name HB2 ))
 )(
   (( segid "    " and resid 55   and name HB  ))
 )
      2.400     0.700     0.700 peak  2064 weight  0.10000E+01 volume  0.86700E+00 ppm1      1.714 ppm2      1.910
 ASSI (
   (( segid "    " and resid 77   and name HB2 ))
 )(
   (( segid "    " and resid 77   and name HA  ))
 )
      3.000     1.100     1.100 peak  2065 weight  0.10000E+01 volume  0.35000E+00 ppm1      1.714 ppm2      5.030
 ASSI (
   (( segid "    " and resid 77   and name HB3 ))
 )(
   (( segid "    " and resid 77   and name HA  ))
 )
      2.600     0.800     0.800 peak  2067 weight  0.10000E+01 volume  0.76400E+00 ppm1      1.197 ppm2      5.038
 ASSI (
   (( segid "    " and resid 77   and name HB2 ))
 )(
   (( segid "    " and resid 77   and name H   ))
 )
      2.700     0.900     0.900 peak  2068 weight  0.10000E+01 volume  0.40300E+00 ppm1      1.715 ppm2      8.951
 ASSI (
   (( segid "    " and resid 77   and name HB2 ))
 )(
   (( segid "    " and resid 55   and name H   ))
 )
      3.100     1.200     1.200 peak  2069 weight  0.10000E+01 volume  0.17900E+00 ppm1      1.716 ppm2      8.608
 ASSI (
   (( segid "    " and resid 77   and name HB3 ))
 )(
   (( segid "    " and resid 77   and name H   ))
 )
      2.700     0.900     0.900 peak  2070 weight  0.10000E+01 volume  0.39900E+00 ppm1      1.195 ppm2      8.954
 ASSI (
   (( segid "    " and resid 77   and name HB3 ))
 )(
   (( segid "    " and resid 55   and name H   ))
 )
      3.300     1.400     1.400 peak  2071 weight  0.10000E+01 volume  0.12900E+00 ppm1      1.183 ppm2      8.615
 ASSI (
   (( segid "    " and resid 73   and name HB  ))
 )(
   (( segid "    " and resid 73   and name H   ))
 )
      2.700     0.900     0.900 peak  2072 weight  0.10000E+01 volume  0.39400E+00 ppm1      1.574 ppm2      7.763
 ASSI (
   (( segid "    " and resid 73   and name HB  ))
 )(
   (( segid "    " and resid 74   and name H   ))
 )
      2.600     0.800     0.800 peak  2073 weight  0.10000E+01 volume  0.56300E+00 ppm1      1.580 ppm2      9.422
 ASSI (
   (( segid "    " and resid 73   and name HB  ))
 )(
   (( segid "    " and resid 73   and name HG13))
 )
      2.300     0.700     0.700 peak  2074 weight  0.10000E+01 volume  0.10670E+01 ppm1      1.575 ppm2      1.191
 ASSI (
   (( segid "    " and resid 73   and name HB  ))
 )(
   (( segid "    " and resid 73   and name HA  ))
 )
      2.600     0.800     0.800 peak  2075 weight  0.10000E+01 volume  0.89700E+00 ppm1      1.577 ppm2      4.839
 ASSI (
   (( segid "    " and resid 79   and name HB2 ))
 )(
   (( segid "    " and resid 53   and name HB3 ))
 )
      2.500     0.800     0.800 peak  2081 weight  0.10000E+01 volume  0.59500E+00 ppm1      1.638 ppm2      2.170
 ASSI (
   (( segid "    " and resid 79   and name HB3 ))
 )(
   (( segid "    " and resid 53   and name HB3 ))
 )
      2.600     0.800     0.800 peak  2082 weight  0.10000E+01 volume  0.56900E+00 ppm1      1.550 ppm2      2.172
 ASSI (
   (( segid "    " and resid 79   and name HB2 ))
 )(
   (( segid "    " and resid 53   and name HB2 ))
 )
      2.500     0.800     0.800 peak  2083 weight  0.10000E+01 volume  0.60100E+00 ppm1      1.639 ppm2      1.951
 ASSI (
   (( segid "    " and resid 79   and name HB2 ))
 )(
   (( segid "    " and resid 79   and name HA  ))
 )
      2.800     1.000     1.000 peak  2086 weight  0.10000E+01 volume  0.50000E+00 ppm1      1.631 ppm2      5.489
 ASSI (
   (( segid "    " and resid 79   and name HB2 ))
 )(
   (( segid "    " and resid 79   and name H   ))
 )
      2.600     0.800     0.800 peak  2088 weight  0.10000E+01 volume  0.50700E+00 ppm1      1.636 ppm2      9.077
 ASSI (
   (( segid "    " and resid 79   and name HB3 ))
 )(
   (( segid "    " and resid 79   and name H   ))
 )
      2.800     1.000     1.000 peak  2089 weight  0.10000E+01 volume  0.33700E+00 ppm1      1.553 ppm2      9.078
 ASSI (
   (( segid "    " and resid 57   and name HB3 ))
 )(
   (( segid "    " and resid 57   and name H   ))
 )
      2.400     0.700     0.700 peak  2090 weight  0.10000E+01 volume  0.95100E+00 ppm1      1.697 ppm2      9.047
 ASSI (
   (( segid "    " and resid 57   and name HB2 ))
 )(
   (( segid "    " and resid 57   and name HA  ))
 )
      2.400     0.700     0.700 peak  2094 weight  0.10000E+01 volume  0.11900E+01 ppm1      1.796 ppm2      4.871
 ASSI (
   (( segid "    " and resid 23   and name HG2 ))
 )(
   (( segid "    " and resid 23   and name HA  ))
 )
      2.800     1.000     1.000 peak  2096 weight  0.10000E+01 volume  0.47400E+00 ppm1      1.797 ppm2      5.293
 ASSI (
   (( segid "    " and resid 23   and name HG2 ))
 )(
   (( segid "    " and resid 24   and name H   ))
 )
      3.100     1.200     1.200 peak  2099 weight  0.10000E+01 volume  0.19300E+00 ppm1      1.796 ppm2      9.276
 ASSI (
   (( segid "    " and resid 23   and name HG3 ))
 )(
   (( segid "    " and resid 24   and name H   ))
 )
      2.800     1.000     1.000 peak  2101 weight  0.10000E+01 volume  0.35700E+00 ppm1      2.066 ppm2      9.280
 ASSI (
   (( segid "    " and resid 91   and name HB  ))
 )(
   (( segid "    " and resid 91   and name HA  ))
 )
      2.600     0.800     0.800 peak  2107 weight  0.10000E+01 volume  0.72400E+00 ppm1      1.797 ppm2      5.195
 ASSI (
   (( segid "    " and resid 91   and name HB  ))
 )(
   (( segid "    " and resid 91   and name H   ))
 )
      2.800     1.000     1.000 peak  2110 weight  0.10000E+01 volume  0.33000E+00 ppm1      1.795 ppm2      9.423
 ASSI (
   (( segid "    " and resid 35   and name HB2 ))
 )(
   (( segid "    " and resid 35   and name HA  ))
 )
      2.600     0.800     0.800 peak  2116 weight  0.10000E+01 volume  0.75800E+00 ppm1      1.888 ppm2      4.544
 ASSI (
   (( segid "    " and resid 35   and name HB2 ))
 )(
   (( segid "    " and resid 36   and name H   ))
 )
      2.700     0.900     0.900 peak  2119 weight  0.10000E+01 volume  0.40100E+00 ppm1      1.891 ppm2      5.826
 ASSI (
   (( segid "    " and resid 55   and name HB  ))
 )(
   (( segid "    " and resid 55   and name H   ))
 )
      2.400     0.700     0.700 peak  2120 weight  0.10000E+01 volume  0.77100E+00 ppm1      1.919 ppm2      8.607
 ASSI (
   (( segid "    " and resid 35   and name HB3 ))
 )(
   (( segid "    " and resid 35   and name HA  ))
 )
      2.600     0.800     0.800 peak  2126 weight  0.10000E+01 volume  0.80500E+00 ppm1      2.161 ppm2      4.543
 ASSI (
   (( segid "    " and resid 35   and name HB2 ))
 )(
   (( segid "    " and resid 35   and name HG3 ))
 )
      2.400     0.700     0.700 peak  2127 weight  0.10000E+01 volume  0.76300E+00 ppm1      1.892 ppm2      2.400
 ASSI (
   (( segid "    " and resid 35   and name HB3 ))
 )(
   (( segid "    " and resid 35   and name HG3 ))
 )
      2.300     0.700     0.700 peak  2128 weight  0.10000E+01 volume  0.12170E+01 ppm1      2.158 ppm2      2.396
 ASSI (
   (( segid "    " and resid 35   and name HB3 ))
 )(
   (( segid "    " and resid 35   and name HB2 ))
 )
      2.000     0.500     0.500 peak  2130 weight  0.10000E+01 volume  0.28200E+01 ppm1      2.161 ppm2      1.884
 ASSI (
   (( segid "    " and resid 35   and name HB3 ))
 )(
   (( segid "    " and resid 36   and name H   ))
 )
      2.900     1.100     1.100 peak  2131 weight  0.10000E+01 volume  0.25400E+00 ppm1      2.165 ppm2      5.828
 ASSI (
   (( segid "    " and resid 89   and name HG3 ))
 )(
   (( segid "    " and resid 89   and name HA  ))
 )
      2.900     1.100     1.100 peak  2132 weight  0.10000E+01 volume  0.44400E+00 ppm1      2.145 ppm2      4.881
 ASSI (
   (( segid "    " and resid 89   and name HG2 ))
 )(
   (( segid "    " and resid 89   and name HA  ))
 )
      2.800     1.000     1.000 peak  2133 weight  0.10000E+01 volume  0.50900E+00 ppm1      2.008 ppm2      4.878
 ASSI (
   (( segid "    " and resid 89   and name HG2 ))
 )(
   (( segid "    " and resid 89   and name H   ))
 )
      2.700     0.900     0.900 peak  2135 weight  0.10000E+01 volume  0.38800E+00 ppm1      2.008 ppm2      8.672
 ASSI (
   (( segid "    " and resid 53   and name HG3 ))
 )(
   (( segid "    " and resid 53   and name HA  ))
 )
      2.900     1.100     1.100 peak  2143 weight  0.10000E+01 volume  0.45700E+00 ppm1      1.966 ppm2      4.543
 ASSI (
   (( segid "    " and resid 105  and name HB2 ))
 )(
   (( segid "    " and resid 105  and name HA  ))
 )
      2.900     1.100     1.100 peak  2156 weight  0.10000E+01 volume  0.45600E+00 ppm1      1.764 ppm2      5.370
 ASSI (
   (( segid "    " and resid 105  and name HB2 ))
 )(
   (( segid "    " and resid 105  and name HB3 ))
 )
      2.000     0.500     0.500 peak  2157 weight  0.10000E+01 volume  0.28060E+01 ppm1      1.764 ppm2      2.114
 ASSI (
   (( segid "    " and resid 30   and name HD2 ))
 )(
   (( segid "    " and resid 30   and name HD3 ))
 )
      2.000     0.500     0.500 peak  2161 weight  0.10000E+01 volume  0.25030E+01 ppm1      3.167 ppm2      3.595
 ASSI (
   (( segid "    " and resid 60   and name HD2 ))
 )(
   (( segid "    " and resid 60   and name HD3 ))
 )
      1.900     0.500     0.500 peak  2169 weight  0.10000E+01 volume  0.35430E+01 ppm1      3.658 ppm2      3.410
 ASSI (
   (( segid "    " and resid 66   and name HD3 ))
 )(
   (( segid "    " and resid 66   and name HD2 ))
 )
      1.600     0.300     0.600 peak  2177 weight  0.10000E+01 volume  0.10046E+02 ppm1      3.789 ppm2      3.686
 ASSI (
   (( segid "    " and resid 66   and name HD2 ))
 )(
   (( segid "    " and resid 65   and name HA  ))
 )
      2.600     0.800     0.800 peak  2183 weight  0.10000E+01 volume  0.73900E+00 ppm1      3.695 ppm2      4.715
 ASSI (
   (( segid "    " and resid 101  and name HD2 ))
 )(
   (( segid "    " and resid 102  and name H   ))
 )
      3.100     1.200     1.200 peak  2184 weight  0.10000E+01 volume  0.19900E+00 ppm1      3.794 ppm2      8.862
 ASSI (
   (( segid "    " and resid 101  and name HD3 ))
 )(
   (( segid "    " and resid 102  and name H   ))
 )
      3.000     1.100     1.100 peak  2185 weight  0.10000E+01 volume  0.20200E+00 ppm1      3.868 ppm2      8.862
 ASSI (
   (( segid "    " and resid 80   and name HD2 ))
 )(
   (( segid "    " and resid 80   and name HD3 ))
 )
      2.000     0.500     0.500 peak  2188 weight  0.10000E+01 volume  0.24420E+01 ppm1      4.469 ppm2      3.861
 ASSI (
   (( segid "    " and resid 80   and name HD3 ))
 )(
   (( segid "    " and resid 79   and name HA  ))
 )
      2.300     0.700     0.700 peak  2190 weight  0.10000E+01 volume  0.14940E+01 ppm1      3.861 ppm2      5.494
 ASSI (
   (( segid "    " and resid 80   and name HD2 ))
 )(
   (( segid "    " and resid 79   and name HA  ))
 )
      2.300     0.700     0.700 peak  2192 weight  0.10000E+01 volume  0.14940E+01 ppm1      4.469 ppm2      5.499
 ASSI (
   (( segid "    " and resid 80   and name HD2 ))
 )(
   (( segid "    " and resid 80   and name HG3 ))
 )
      2.500     0.800     0.800 peak  2197 weight  0.10000E+01 volume  0.65100E+00 ppm1      4.469 ppm2      2.226
 ASSI (
   (( segid "    " and resid 95   and name HD3 ))
 )(
   (( segid "    " and resid 95   and name HD2 ))
 )
      2.000     0.500     0.500 peak  2198 weight  0.10000E+01 volume  0.27640E+01 ppm1      4.063 ppm2      3.765
 ASSI (
   (( segid "    " and resid 95   and name HD3 ))
 )(
   (( segid "    " and resid 94   and name HA  ))
 )
      2.600     0.800     0.800 peak  2199 weight  0.10000E+01 volume  0.86700E+00 ppm1      4.067 ppm2      4.721
 ASSI (
   (( segid "    " and resid 95   and name HD3 ))
 )(
   (( segid "    " and resid 95   and name HG2 ))
 )
      2.500     0.800     0.800 peak  2202 weight  0.10000E+01 volume  0.67200E+00 ppm1      4.066 ppm2      1.710
 ASSI (
   (( segid "    " and resid 95   and name HD2 ))
 )(
   (( segid "    " and resid 95   and name HG2 ))
 )
      2.600     0.800     0.800 peak  2207 weight  0.10000E+01 volume  0.50800E+00 ppm1      3.763 ppm2      1.715
 ASSI (
   (( segid "    " and resid 26   and name HA  ))
 )(
   (( segid "    " and resid 26   and name HB2 ))
 )
      2.500     0.800     0.800 peak  2210 weight  0.10000E+01 volume  0.10960E+01 ppm1      4.476 ppm2      0.476
 ASSI (
   (( segid "    " and resid 88   and name HA  ))
 )(
   (( segid "    " and resid 89   and name H   ))
 )
      2.100     0.600     0.600 peak  2214 weight  0.10000E+01 volume  0.27250E+01 ppm1      4.441 ppm2      8.686
 ASSI (
   (( segid "    " and resid 88   and name HA  ))
 )(
   (( segid "    " and resid 88   and name HB3 ))
 )
      2.600     0.800     0.800 peak  2217 weight  0.10000E+01 volume  0.84100E+00 ppm1      4.437 ppm2      0.991
 ASSI (
   (( segid "    " and resid 37   and name HB  ))
 )(
   (( segid "    " and resid 37   and name H   ))
 )
      3.200     1.300     1.300 peak  2219 weight  0.10000E+01 volume  0.14700E+00 ppm1      4.080 ppm2      9.105
 ASSI (
   (( segid "    " and resid 37   and name HB  ))
 )(
   (( segid "    " and resid 38   and name H   ))
 )
      3.100     1.200     1.200 peak  2220 weight  0.10000E+01 volume  0.19300E+00 ppm1      4.071 ppm2      8.031
 ASSI (
   (( segid "    " and resid 31   and name HB  ))
 )(
   (( segid "    " and resid 31   and name H   ))
 )
      2.700     0.900     0.900 peak  2226 weight  0.10000E+01 volume  0.39200E+00 ppm1      4.274 ppm2      8.006
 ASSI (
   (( segid "    " and resid 65   and name HB  ))
 )(
   (( segid "    " and resid 65   and name HA  ))
 )
      2.500     0.800     0.800 peak  2230 weight  0.10000E+01 volume  0.93400E+00 ppm1      4.219 ppm2      4.728
 ASSI (
   (( segid "    " and resid 65   and name HB  ))
 )(
   (( segid "    " and resid 66   and name HD2 ))
 )
      2.300     0.700     0.700 peak  2231 weight  0.10000E+01 volume  0.11670E+01 ppm1      4.217 ppm2      3.699
 ASSI (
   (( segid "    " and resid 65   and name HB  ))
 )(
   (( segid "    " and resid 66   and name HG2 ))
 )
      2.800     1.000     1.000 peak  2232 weight  0.10000E+01 volume  0.34300E+00 ppm1      4.220 ppm2      2.059
 ASSI (
   (( segid "    " and resid 65   and name HB  ))
 )(
   (( segid "    " and resid 65   and name H   ))
 )
      2.700     0.900     0.900 peak  2234 weight  0.10000E+01 volume  0.43700E+00 ppm1      4.221 ppm2      7.927
 ASSI (
   (( segid "    " and resid 16   and name HB  ))
 )(
   (( segid "    " and resid 16   and name HA  ))
 )
      2.400     0.700     0.700 peak  2238 weight  0.10000E+01 volume  0.11630E+01 ppm1      3.907 ppm2      4.726
 ASSI (
   (( segid "    " and resid 61   and name HB  ))
 )(
   (( segid "    " and resid 62   and name HD2 ))
 )
      2.700     0.900     0.900 peak  2242 weight  0.10000E+01 volume  0.38100E+00 ppm1      4.002 ppm2      3.651
 ASSI (
   (( segid "    " and resid 61   and name HB  ))
 )(
   (( segid "    " and resid 61   and name HA  ))
 )
      2.500     0.800     0.800 peak  2243 weight  0.10000E+01 volume  0.89900E+00 ppm1      4.005 ppm2      4.458
 ASSI (
   (( segid "    " and resid 21   and name HB  ))
 )(
   (( segid "    " and resid 21   and name H   ))
 )
      2.200     0.600     0.600 peak  2244 weight  0.10000E+01 volume  0.13270E+01 ppm1      3.971 ppm2      8.801
 ASSI (
   (( segid "    " and resid 61   and name HB  ))
 )(
   (( segid "    " and resid 61   and name H   ))
 )
      2.400     0.700     0.700 peak  2245 weight  0.10000E+01 volume  0.81400E+00 ppm1      4.000 ppm2      8.594
 ASSI (
   (( segid "    " and resid 107  and name HB  ))
 )(
   (( segid "    " and resid 12   and name H   ))
 )
      3.300     1.400     1.400 peak  2250 weight  0.10000E+01 volume  0.13000E+00 ppm1      3.716 ppm2      8.151
 ASSI (
   (( segid "    " and resid 107  and name HB  ))
 )(
   (( segid "    " and resid 107  and name H   ))
 )
      2.400     0.700     0.700 peak  2251 weight  0.10000E+01 volume  0.92800E+00 ppm1      3.719 ppm2      7.963
 ASSI (
   (( segid "    " and resid 107  and name HB  ))
 )(
   (( segid "    " and resid 107  and name HA  ))
 )
      2.600     0.800     0.800 peak  2252 weight  0.10000E+01 volume  0.85900E+00 ppm1      3.717 ppm2      4.966
 ASSI (
   (( segid "    " and resid 22   and name HB  ))
 )(
   (( segid "    " and resid 78   and name H   ))
 )
      2.800     1.000     1.000 peak  2254 weight  0.10000E+01 volume  0.36700E+00 ppm1      3.696 ppm2      8.987
 ASSI (
   (( segid "    " and resid 22   and name HB  ))
 )(
   (( segid "    " and resid 22   and name H   ))
 )
      2.500     0.800     0.800 peak  2255 weight  0.10000E+01 volume  0.62100E+00 ppm1      3.688 ppm2      9.520
 ASSI (
   (( segid "    " and resid 59   and name HB  ))
 )(
   (( segid "    " and resid 59   and name H   ))
 )
      2.500     0.800     0.800 peak  2256 weight  0.10000E+01 volume  0.59700E+00 ppm1      3.745 ppm2      8.456
 ASSI (
   (( segid "    " and resid 59   and name HB  ))
 )(
   (( segid "    " and resid 73   and name H   ))
 )
      2.200     0.600     0.600 peak  2259 weight  0.10000E+01 volume  0.14610E+01 ppm1      3.746 ppm2      7.773
 ASSI (
   (( segid "    " and resid 59   and name HB  ))
 )(
   (( segid "    " and resid 59   and name HA  ))
 )
      2.400     0.700     0.700 peak  2260 weight  0.10000E+01 volume  0.11880E+01 ppm1      3.747 ppm2      4.437
 ASSI (
   (( segid "    " and resid 22   and name HB  ))
 )(
   (( segid "    " and resid 22   and name HA  ))
 )
      3.000     1.100     1.100 peak  2261 weight  0.10000E+01 volume  0.31000E+00 ppm1      3.694 ppm2      4.368
 ASSI (
   (( segid "    " and resid 84   and name HA2 ))
 )(
   (( segid "    " and resid 84   and name H   ))
 )
      2.700     0.900     0.900 peak  2270 weight  0.10000E+01 volume  0.62500E+00 ppm1      4.452 ppm2      8.990
 ASSI (
   (( segid "    " and resid 84   and name HA2 ))
 )(
   (( segid "    " and resid 85   and name H   ))
 )
      2.600     0.800     0.800 peak  2271 weight  0.10000E+01 volume  0.80600E+00 ppm1      4.447 ppm2      8.296
 ASSI (
   (( segid "    " and resid 84   and name HA3 ))
 )(
   (( segid "    " and resid 84   and name H   ))
 )
      2.800     1.000     1.000 peak  2273 weight  0.10000E+01 volume  0.56900E+00 ppm1      3.636 ppm2      9.000
 ASSI (
   (( segid "    " and resid 98   and name HA3 ))
 )(
   (( segid "    " and resid 98   and name H   ))
 )
      2.400     0.700     0.700 peak  2277 weight  0.10000E+01 volume  0.12290E+01 ppm1      3.506 ppm2      7.374
 ASSI (
   (( segid "    " and resid 98   and name HA3 ))
 )(
   (( segid "    " and resid 99   and name H   ))
 )
      2.400     0.700     0.700 peak  2278 weight  0.10000E+01 volume  0.13900E+01 ppm1      3.508 ppm2      7.993
 ASSI (
   (( segid "    " and resid 98   and name HA2 ))
 )(
   (( segid "    " and resid 99   and name H   ))
 )
      2.500     0.800     0.800 peak  2279 weight  0.10000E+01 volume  0.10940E+01 ppm1      4.170 ppm2      7.989
 ASSI (
   (( segid "    " and resid 98   and name HA2 ))
 )(
   (( segid "    " and resid 98   and name H   ))
 )
      2.500     0.800     0.800 peak  2280 weight  0.10000E+01 volume  0.10600E+01 ppm1      4.170 ppm2      7.374
 ASSI (
   (( segid "    " and resid 98   and name HA2 ))
 )(
   (( segid "    " and resid 99   and name HG13))
 )
      3.100     1.200     1.200 peak  2283 weight  0.10000E+01 volume  0.30000E+00 ppm1      4.172 ppm2      1.694
 ASSI (
   (( segid "    " and resid 98   and name HA3 ))
 )(
   (( segid "    " and resid 99   and name HG13))
 )
      2.300     0.700     0.700 peak  2288 weight  0.10000E+01 volume  0.17920E+01 ppm1      3.522 ppm2      1.669
 ASSI (
   (( segid "    " and resid 40   and name HA2 ))
 )(
   (( segid "    " and resid 40   and name HA3 ))
 )
      2.000     0.500     0.500 peak  2289 weight  0.10000E+01 volume  0.54630E+01 ppm1      4.405 ppm2      3.637
 ASSI (
   (( segid "    " and resid 40   and name HA2 ))
 )(
   (( segid "    " and resid 40   and name H   ))
 )
      2.600     0.800     0.800 peak  2290 weight  0.10000E+01 volume  0.84400E+00 ppm1      4.405 ppm2      8.418
 ASSI (
   (( segid "    " and resid 19   and name HA2 ))
 )(
   (( segid "    " and resid 19   and name H   ))
 )
      2.400     0.700     0.700 peak  2291 weight  0.10000E+01 volume  0.12420E+01 ppm1      3.588 ppm2      8.375
 ASSI (
   (( segid "    " and resid 40   and name HA3 ))
 )(
   (( segid "    " and resid 40   and name H   ))
 )
      2.500     0.800     0.800 peak  2292 weight  0.10000E+01 volume  0.99200E+00 ppm1      3.640 ppm2      8.407
 ASSI (
   (( segid "    " and resid 33   and name HA2 ))
 )(
   (( segid "    " and resid 33   and name H   ))
 )
      2.400     0.700     0.700 peak  2293 weight  0.10000E+01 volume  0.13840E+01 ppm1      3.624 ppm2      7.882
 ASSI (
   (( segid "    " and resid 43   and name HA2 ))
 )(
   (( segid "    " and resid 43   and name H   ))
 )
      2.600     0.800     0.800 peak  2298 weight  0.10000E+01 volume  0.72600E+00 ppm1      4.196 ppm2      8.877
 ASSI (
   (( segid "    " and resid 71   and name HA3 ))
 )(
   (( segid "    " and resid 72   and name H   ))
 )
      2.600     0.800     0.800 peak  2301 weight  0.10000E+01 volume  0.75000E+00 ppm1      4.146 ppm2      8.273
 ASSI (
   (( segid "    " and resid 71   and name HA2 ))
 )(
   (( segid "    " and resid 72   and name H   ))
 )
      2.500     0.800     0.800 peak  2302 weight  0.10000E+01 volume  0.94600E+00 ppm1      4.082 ppm2      8.272
 ASSI (
   (( segid "    " and resid 71   and name HA3 ))
 )(
   (( segid "    " and resid 71   and name H   ))
 )
      2.600     0.800     0.800 peak  2303 weight  0.10000E+01 volume  0.82500E+00 ppm1      4.154 ppm2      8.572
 ASSI (
   (( segid "    " and resid 43   and name HA3 ))
 )(
   (( segid "    " and resid 43   and name H   ))
 )
      2.600     0.800     0.800 peak  2308 weight  0.10000E+01 volume  0.71400E+00 ppm1      3.696 ppm2      8.870
 ASSI (
   (( segid "    " and resid 43   and name HA3 ))
 )(
   (( segid "    " and resid 44   and name H   ))
 )
      2.700     0.900     0.900 peak  2309 weight  0.10000E+01 volume  0.62300E+00 ppm1      3.688 ppm2      8.080
 ASSI (
   (( segid "    " and resid 34   and name HB2 ))
 )(
   (( segid "    " and resid 35   and name H   ))
 )
      2.900     1.100     1.100 peak  2313 weight  0.10000E+01 volume  0.25500E+00 ppm1      2.073 ppm2      8.279
 ASSI (
   (( segid "    " and resid 72   and name HA2 ))
 )(
   (( segid "    " and resid 72   and name HA3 ))
 )
      2.200     0.600     0.600 peak  2314 weight  0.10000E+01 volume  0.33930E+01 ppm1      4.371 ppm2      4.097
 ASSI (
   (( segid "    " and resid 72   and name HA3 ))
 )(
   (( segid "    " and resid 73   and name H   ))
 )
      2.600     0.800     0.800 peak  2317 weight  0.10000E+01 volume  0.86400E+00 ppm1      4.091 ppm2      7.769
 ASSI (
   (( segid "    " and resid 72   and name HA3 ))
 )(
   (( segid "    " and resid 72   and name H   ))
 )
      2.900     1.100     1.100 peak  2319 weight  0.10000E+01 volume  0.39100E+00 ppm1      4.095 ppm2      8.269
 ASSI (
   (( segid "    " and resid 19   and name HA3 ))
 )(
   (( segid "    " and resid 19   and name H   ))
 )
      2.600     0.800     0.800 peak  2331 weight  0.10000E+01 volume  0.76000E+00 ppm1      4.293 ppm2      8.375
 ASSI (
   (( segid "    " and resid 28   and name HA2 ))
 )(
   (( segid "    " and resid 28   and name H   ))
 )
      3.200     1.300     1.300 peak  2332 weight  0.10000E+01 volume  0.22100E+00 ppm1      4.205 ppm2      8.346
 ASSI (
   (( segid "    " and resid 109  and name HB3 ))
 )(
   (( segid "    " and resid 109  and name HA  ))
 )
      1.900     0.500     0.500 peak  2356 weight  0.10000E+01 volume  0.56180E+01 ppm1      2.273 ppm2      4.527
 ASSI (
   (( segid "    " and resid 109  and name HB3 ))
 )(
   (( segid "    " and resid 109  and name HB2 ))
 )
      2.400     0.700     0.700 peak  2357 weight  0.10000E+01 volume  0.80800E+00 ppm1      2.275 ppm2      2.021
 ASSI (
   (( segid "    " and resid 109  and name HB2 ))
 )(
   (( segid "    " and resid 13   and name HA  ))
 )
      3.100     1.200     1.200 peak  2358 weight  0.10000E+01 volume  0.28400E+00 ppm1      2.011 ppm2      5.129
 ASSI (
   (( segid "    " and resid 109  and name HB3 ))
 )(
   (( segid "    " and resid 109  and name H   ))
 )
      2.700     0.900     0.900 peak  2359 weight  0.10000E+01 volume  0.43400E+00 ppm1      2.281 ppm2      9.160
 ASSI (
   (( segid "    " and resid 109  and name HB2 ))
 )(
   (( segid "    " and resid 109  and name H   ))
 )
      2.700     0.900     0.900 peak  2360 weight  0.10000E+01 volume  0.42300E+00 ppm1      2.019 ppm2      9.154
 ASSI (
   (( segid "    " and resid 109  and name HB3 ))
 )(
   (( segid "    " and resid 14   and name H   ))
 )
      3.000     1.100     1.100 peak  2362 weight  0.10000E+01 volume  0.24200E+00 ppm1      2.266 ppm2      8.838
 ASSI (
   (( segid "    " and resid 101  and name HG3 ))
 )(
   (( segid "    " and resid 100  and name HA  ))
 )
      3.200     1.300     1.300 peak  2364 weight  0.10000E+01 volume  0.22300E+00 ppm1      2.182 ppm2      4.908
 ASSI (
   (( segid "    " and resid 101  and name HG3 ))
 )(
   (( segid "    " and resid 101  and name HB3 ))
 )
      2.200     0.600     0.600 peak  2367 weight  0.10000E+01 volume  0.15110E+01 ppm1      2.183 ppm2      2.373
 ASSI (
   (( segid "    " and resid 101  and name HG3 ))
 )(
   (( segid "    " and resid 101  and name HG2 ))
 )
      1.700     0.400     0.500 peak  2368 weight  0.10000E+01 volume  0.66550E+01 ppm1      2.184 ppm2      2.009
 ASSI (
   (( segid "    " and resid 101  and name HG2 ))
 )(
   (( segid "    " and resid 101  and name HB3 ))
 )
      2.000     0.500     0.500 peak  2369 weight  0.10000E+01 volume  0.25680E+01 ppm1      2.015 ppm2      2.361
 ASSI (
   (( segid "    " and resid 101  and name HG3 ))
 )(
   (( segid "    " and resid 101  and name HD2 ))
 )
      2.100     0.600     0.600 peak  2373 weight  0.10000E+01 volume  0.20280E+01 ppm1      2.184 ppm2      3.818
 ASSI (
   (( segid "    " and resid 101  and name HG3 ))
 )(
   (( segid "    " and resid 102  and name H   ))
 )
      3.100     1.200     1.200 peak  2374 weight  0.10000E+01 volume  0.19200E+00 ppm1      2.186 ppm2      8.860
 ASSI (
   (( segid "    " and resid 62   and name HG3 ))
 )(
   (( segid "    " and resid 62   and name HB3 ))
 )
      2.300     0.700     0.700 peak  2378 weight  0.10000E+01 volume  0.12310E+01 ppm1      1.933 ppm2      2.248
 ASSI (
   (( segid "    " and resid 95   and name HG3 ))
 )(
   (( segid "    " and resid 95   and name HG2 ))
 )
      1.800     0.400     0.400 peak  2381 weight  0.10000E+01 volume  0.43370E+01 ppm1      2.140 ppm2      1.710
 ASSI (
   (( segid "    " and resid 95   and name HG3 ))
 )(
   (( segid "    " and resid 95   and name HD3 ))
 )
      2.500     0.800     0.800 peak  2387 weight  0.10000E+01 volume  0.61500E+00 ppm1      2.142 ppm2      4.069
 ASSI (
   (( segid "    " and resid 95   and name HG3 ))
 )(
   (( segid "    " and resid 95   and name HD2 ))
 )
      2.200     0.600     0.600 peak  2388 weight  0.10000E+01 volume  0.16090E+01 ppm1      2.139 ppm2      3.775
 ASSI (
   (( segid "    " and resid 38   and name HG2 ))
 )(
   (( segid "    " and resid 38   and name HA  ))
 )
      3.100     1.200     1.200 peak  2405 weight  0.10000E+01 volume  0.25500E+00 ppm1      1.992 ppm2      5.131
 ASSI (
   (( segid "    " and resid 38   and name HG2 ))
 )(
   (( segid "    " and resid 38   and name H   ))
 )
      3.200     1.300     1.300 peak  2416 weight  0.10000E+01 volume  0.15000E+00 ppm1      1.749 ppm2      7.989
 ASSI (
   (( segid "    " and resid 80   and name HG3 ))
 )(
   (( segid "    " and resid 80   and name HG2 ))
 )
      1.900     0.500     0.500 peak  2423 weight  0.10000E+01 volume  0.30390E+01 ppm1      2.244 ppm2      1.778
 ASSI (
   (( segid "    " and resid 80   and name HG3 ))
 )(
   (( segid "    " and resid 80   and name HD3 ))
 )
      2.400     0.700     0.700 peak  2427 weight  0.10000E+01 volume  0.79000E+00 ppm1      2.247 ppm2      3.886
 ASSI (
   (( segid "    " and resid 80   and name HG3 ))
 )(
   (( segid "    " and resid 19   and name H   ))
 )
      3.100     1.200     1.200 peak  2430 weight  0.10000E+01 volume  0.17100E+00 ppm1      2.236 ppm2      8.368
 ASSI (
   (( segid "    " and resid 80   and name HG2 ))
 )(
   (( segid "    " and resid 80   and name HD2 ))
 )
      2.400     0.700     0.700 peak  2433 weight  0.10000E+01 volume  0.76200E+00 ppm1      1.779 ppm2      4.470
 ASSI (
   (( segid "    " and resid 80   and name HG2 ))
 )(
   (( segid "    " and resid 80   and name HD3 ))
 )
      2.400     0.700     0.700 peak  2434 weight  0.10000E+01 volume  0.76400E+00 ppm1      1.779 ppm2      3.876
 ASSI (
   (( segid "    " and resid 80   and name HG3 ))
 )(
   (( segid "    " and resid 80   and name HB2 ))
 )
      2.400     0.700     0.700 peak  2437 weight  0.10000E+01 volume  0.82200E+00 ppm1      2.247 ppm2      1.972
 ASSI (
   (( segid "    " and resid 102  and name HB3 ))
 )(
   (( segid "    " and resid 102  and name HA  ))
 )
      2.300     0.700     0.700 peak  2441 weight  0.10000E+01 volume  0.18190E+01 ppm1      2.078 ppm2      4.219
 ASSI (
   (( segid "    " and resid 102  and name HB2 ))
 )(
   (( segid "    " and resid 102  and name HA  ))
 )
      2.100     0.600     0.600 peak  2442 weight  0.10000E+01 volume  0.27830E+01 ppm1      2.054 ppm2      4.222
 ASSI (
   (( segid "    " and resid 83   and name HG3 ))
 )(
   (( segid "    " and resid 83   and name HB2 ))
 )
      2.300     0.700     0.700 peak  2456 weight  0.10000E+01 volume  0.10750E+01 ppm1      1.501 ppm2      1.865
 ASSI (
   (( segid "    " and resid 83   and name HG2 ))
 )(
   (( segid "    " and resid 83   and name HA  ))
 )
      2.900     1.100     1.100 peak  2459 weight  0.10000E+01 volume  0.41200E+00 ppm1      1.734 ppm2      3.952
 ASSI (
   (( segid "    " and resid 51   and name HG13))
 )(
   (( segid "    " and resid 51   and name HA  ))
 )
      2.900     1.100     1.100 peak  2466 weight  0.10000E+01 volume  0.37500E+00 ppm1      1.473 ppm2      3.809
 ASSI (
   (( segid "    " and resid 51   and name HG13))
 )(
   (( segid "    " and resid 51   and name H   ))
 )
      2.600     0.800     0.800 peak  2467 weight  0.10000E+01 volume  0.51400E+00 ppm1      1.476 ppm2      7.590
 ASSI (
   (( segid "    " and resid 51   and name HG13))
 )(
   (( segid "    " and resid 52   and name H   ))
 )
      2.900     1.100     1.100 peak  2468 weight  0.10000E+01 volume  0.24500E+00 ppm1      1.471 ppm2      8.279
 ASSI (
   (( segid "    " and resid 90   and name HG  ))
 )(
   (( segid "    " and resid 90   and name H   ))
 )
      2.800     1.000     1.000 peak  2476 weight  0.10000E+01 volume  0.32000E+00 ppm1      1.550 ppm2      9.199
 ASSI (
   (( segid "    " and resid 47   and name HG  ))
 )(
   (( segid "    " and resid 47   and name H   ))
 )
      2.400     0.700     0.700 peak  2481 weight  0.10000E+01 volume  0.88000E+00 ppm1      1.657 ppm2      8.841
 ASSI (
   (( segid "    " and resid 47   and name HG  ))
 )(
   (( segid "    " and resid 47   and name HA  ))
 )
      3.000     1.100     1.100 peak  2482 weight  0.10000E+01 volume  0.36200E+00 ppm1      1.662 ppm2      4.257
 ASSI (
   (( segid "    " and resid 104  and name HB3 ))
 )(
   (( segid "    " and resid 104  and name HA  ))
 )
      2.600     0.800     0.800 peak  2486 weight  0.10000E+01 volume  0.79200E+00 ppm1      2.044 ppm2      4.199
 ASSI (
   (( segid "    " and resid 104  and name HB2 ))
 )(
   (( segid "    " and resid 104  and name HA  ))
 )
      2.500     0.800     0.800 peak  2487 weight  0.10000E+01 volume  0.91100E+00 ppm1      1.971 ppm2      4.198
 ASSI (
   (( segid "    " and resid 104  and name HB3 ))
 )(
   (( segid "    " and resid 36   and name HH2 ))
 )
      3.700     1.700     1.700 peak  2492 weight  0.10000E+01 volume  0.11700E+00 ppm1      2.064 ppm2      6.718
 ASSI (
   (( segid "    " and resid 104  and name HB3 ))
 )(
   (( segid "    " and resid 92   and name H   ))
 )
      3.000     1.100     1.100 peak  2493 weight  0.10000E+01 volume  0.20600E+00 ppm1      2.048 ppm2      8.114
 ASSI (
   (( segid "    " and resid 104  and name HB3 ))
 )(
   (( segid "    " and resid 105  and name H   ))
 )
      2.900     1.100     1.100 peak  2495 weight  0.10000E+01 volume  0.29900E+00 ppm1      2.046 ppm2      8.497
 ASSI (
   (( segid "    " and resid 104  and name HB2 ))
 )(
   (( segid "    " and resid 105  and name H   ))
 )
      2.900     1.100     1.100 peak  2496 weight  0.10000E+01 volume  0.30100E+00 ppm1      1.974 ppm2      8.511
 ASSI (
   (( segid "    " and resid 104  and name HB3 ))
 )(
   (( segid "    " and resid 104  and name H   ))
 )
      2.400     0.700     0.700 peak  2497 weight  0.10000E+01 volume  0.76200E+00 ppm1      2.047 ppm2      9.221
 ASSI (
   (( segid "    " and resid 104  and name HB3 ))
 )(
   (( segid "    " and resid 92   and name HB3 ))
 )
      3.100     1.200     1.200 peak  2501 weight  0.10000E+01 volume  0.19800E+00 ppm1      2.048 ppm2     -0.203
 ASSI (
   (( segid "    " and resid 104  and name HB2 ))
 )(
   (( segid "    " and resid 92   and name HB3 ))
 )
      3.000     1.100     1.100 peak  2502 weight  0.10000E+01 volume  0.23300E+00 ppm1      1.971 ppm2     -0.227
 ASSI (
   (( segid "    " and resid 42   and name HB  ))
 )(
   (( segid "    " and resid 42   and name HA  ))
 )
      2.900     1.100     1.100 peak  2507 weight  0.10000E+01 volume  0.41400E+00 ppm1      2.041 ppm2      3.717
 ASSI (
   (( segid "    " and resid 42   and name HB  ))
 )(
   (( segid "    " and resid 42   and name H   ))
 )
      2.100     0.600     0.600 peak  2508 weight  0.10000E+01 volume  0.17110E+01 ppm1      2.036 ppm2      7.788
 ASSI (
   (( segid "    " and resid 83   and name HB3 ))
 )(
   (( segid "    " and resid 83   and name HA  ))
 )
      2.700     0.900     0.900 peak  2519 weight  0.10000E+01 volume  0.70900E+00 ppm1      1.740 ppm2      3.943
 ASSI (
   (( segid "    " and resid 83   and name HB2 ))
 )(
   (( segid "    " and resid 84   and name H   ))
 )
      2.800     1.000     1.000 peak  2522 weight  0.10000E+01 volume  0.34100E+00 ppm1      1.849 ppm2      9.006
 ASSI (
   (( segid "    " and resid 81   and name HB2 ))
 )(
   (( segid "    " and resid 81   and name HA  ))
 )
      2.900     1.100     1.100 peak  2525 weight  0.10000E+01 volume  0.41300E+00 ppm1      1.712 ppm2      4.413
 ASSI (
   (( segid "    " and resid 81   and name HB3 ))
 )(
   (( segid "    " and resid 81   and name HA  ))
 )
      2.600     0.800     0.800 peak  2526 weight  0.10000E+01 volume  0.80700E+00 ppm1      1.995 ppm2      4.416
 ASSI (
   (( segid "    " and resid 81   and name HB3 ))
 )(
   (( segid "    " and resid 81   and name HD2 ))
 )
      2.300     0.700     0.700 peak  2528 weight  0.10000E+01 volume  0.12320E+01 ppm1      1.998 ppm2      3.019
 ASSI (
   (( segid "    " and resid 81   and name HB2 ))
 )(
   (( segid "    " and resid 81   and name HB3 ))
 )
      1.900     0.500     0.500 peak  2530 weight  0.10000E+01 volume  0.32480E+01 ppm1      1.704 ppm2      1.999
 ASSI (
   (( segid "    " and resid 81   and name HB2 ))
 )(
   (( segid "    " and resid 51   and name HA  ))
 )
      3.200     1.300     1.300 peak  2533 weight  0.10000E+01 volume  0.22600E+00 ppm1      1.709 ppm2      3.811
 ASSI (
   (( segid "    " and resid 81   and name HB3 ))
 )(
   (( segid "    " and resid 51   and name HA  ))
 )
      3.100     1.200     1.200 peak  2534 weight  0.10000E+01 volume  0.25800E+00 ppm1      2.006 ppm2      3.826
 ASSI (
   (( segid "    " and resid 81   and name HB3 ))
 )(
   (( segid "    " and resid 81   and name H   ))
 )
      2.900     1.100     1.100 peak  2535 weight  0.10000E+01 volume  0.24500E+00 ppm1      1.997 ppm2      8.996
 ASSI (
   (( segid "    " and resid 101  and name HB2 ))
 )(
   (( segid "    " and resid 101  and name HA  ))
 )
      2.500     0.800     0.800 peak  2537 weight  0.10000E+01 volume  0.11030E+01 ppm1      1.930 ppm2      4.239
 ASSI (
   (( segid "    " and resid 30   and name HB2 ))
 )(
   (( segid "    " and resid 30   and name HA  ))
 )
      2.700     0.900     0.900 peak  2538 weight  0.10000E+01 volume  0.60400E+00 ppm1      1.934 ppm2      4.927
 ASSI (
   (( segid "    " and resid 30   and name HB3 ))
 )(
   (( segid "    " and resid 30   and name HA  ))
 )
      2.500     0.800     0.800 peak  2539 weight  0.10000E+01 volume  0.99100E+00 ppm1      2.273 ppm2      4.929
 ASSI (
   (( segid "    " and resid 62   and name HB3 ))
 )(
   (( segid "    " and resid 63   and name H   ))
 )
      3.100     1.200     1.200 peak  2541 weight  0.10000E+01 volume  0.18400E+00 ppm1      2.256 ppm2      8.379
 ASSI (
   (( segid "    " and resid 30   and name HB3 ))
 )(
   (( segid "    " and resid 30   and name HD2 ))
 )
      2.800     1.000     1.000 peak  2544 weight  0.10000E+01 volume  0.30700E+00 ppm1      2.281 ppm2      3.167
 ASSI (
   (( segid "    " and resid 30   and name HB2 ))
 )(
   (( segid "    " and resid 30   and name HG3 ))
 )
      2.200     0.600     0.600 peak  2547 weight  0.10000E+01 volume  0.14980E+01 ppm1      1.934 ppm2      1.498
 ASSI (
   (( segid "    " and resid 101  and name HB2 ))
 )(
   (( segid "    " and resid 102  and name H   ))
 )
      2.900     1.100     1.100 peak  2551 weight  0.10000E+01 volume  0.28100E+00 ppm1      1.930 ppm2      8.861
 ASSI (
   (( segid "    " and resid 101  and name HB3 ))
 )(
   (( segid "    " and resid 102  and name H   ))
 )
      2.800     1.000     1.000 peak  2552 weight  0.10000E+01 volume  0.30600E+00 ppm1      2.381 ppm2      8.862
 ASSI (
   (( segid "    " and resid 101  and name HB3 ))
 )(
   (( segid "    " and resid 101  and name HB2 ))
 )
      1.800     0.400     0.400 peak  2555 weight  0.10000E+01 volume  0.50660E+01 ppm1      2.383 ppm2      1.926
 ASSI (
   (( segid "    " and resid 95   and name HB3 ))
 )(
   (( segid "    " and resid 95   and name HB2 ))
 )
      1.900     0.500     0.500 peak  2559 weight  0.10000E+01 volume  0.40040E+01 ppm1      2.080 ppm2      1.883
 ASSI (
   (( segid "    " and resid 39   and name HB  ))
 )(
   (( segid "    " and resid 39   and name HA  ))
 )
      2.600     0.800     0.800 peak  2564 weight  0.10000E+01 volume  0.77800E+00 ppm1      2.029 ppm2      3.467
 ASSI (
   (( segid "    " and resid 60   and name HB3 ))
 )(
   (( segid "    " and resid 60   and name HA  ))
 )
      2.300     0.700     0.700 peak  2573 weight  0.10000E+01 volume  0.15860E+01 ppm1      2.326 ppm2      4.329
 ASSI (
   (( segid "    " and resid 60   and name HB3 ))
 )(
   (( segid "    " and resid 60   and name HD2 ))
 )
      2.900     1.100     1.100 peak  2574 weight  0.10000E+01 volume  0.29700E+00 ppm1      2.319 ppm2      3.656
 ASSI (
   (( segid "    " and resid 60   and name HB3 ))
 )(
   (( segid "    " and resid 60   and name HD3 ))
 )
      2.800     1.000     1.000 peak  2575 weight  0.10000E+01 volume  0.32200E+00 ppm1      2.325 ppm2      3.420
 ASSI (
   (( segid "    " and resid 60   and name HB3 ))
 )(
   (( segid "    " and resid 60   and name HB2 ))
 )
      1.800     0.400     0.400 peak  2578 weight  0.10000E+01 volume  0.51730E+01 ppm1      2.324 ppm2      1.852
 ASSI (
   (( segid "    " and resid 67   and name HG3 ))
 )(
   (( segid "    " and resid 67   and name HA  ))
 )
      3.200     1.300     1.300 peak  2580 weight  0.10000E+01 volume  0.21500E+00 ppm1      2.587 ppm2      4.447
 ASSI (
   (( segid "    " and resid 67   and name HG3 ))
 )(
   (( segid "    " and resid 67   and name H   ))
 )
      3.200     1.300     1.300 peak  2582 weight  0.10000E+01 volume  0.14500E+00 ppm1      2.585 ppm2      8.324
 ASSI (
   (( segid "    " and resid 44   and name HB3 ))
 )(
   (( segid "    " and resid 44   and name HA  ))
 )
      2.600     0.800     0.800 peak  2584 weight  0.10000E+01 volume  0.79200E+00 ppm1      2.097 ppm2      4.604
 ASSI (
   (( segid "    " and resid 44   and name HB3 ))
 )(
   (( segid "    " and resid 46   and name H   ))
 )
      2.600     0.800     0.800 peak  2585 weight  0.10000E+01 volume  0.52900E+00 ppm1      2.101 ppm2      7.616
 ASSI (
   (( segid "    " and resid 44   and name HB3 ))
 )(
   (( segid "    " and resid 44   and name H   ))
 )
      2.600     0.800     0.800 peak  2587 weight  0.10000E+01 volume  0.58300E+00 ppm1      2.097 ppm2      8.087
 ASSI (
   (( segid "    " and resid 44   and name HB3 ))
 )(
   (( segid "    " and resid 45   and name H   ))
 )
      2.700     0.900     0.900 peak  2589 weight  0.10000E+01 volume  0.40500E+00 ppm1      2.100 ppm2      8.518
 ASSI (
   (( segid "    " and resid 100  and name HB2 ))
 )(
   (( segid "    " and resid 102  and name H   ))
 )
      2.700     0.900     0.900 peak  2591 weight  0.10000E+01 volume  0.38800E+00 ppm1      2.082 ppm2      8.861
 ASSI (
   (( segid "    " and resid 44   and name HB2 ))
 )(
   (( segid "    " and resid 41   and name HB3 ))
 )
      3.200     1.300     1.300 peak  2592 weight  0.10000E+01 volume  0.15400E+00 ppm1      2.189 ppm2      3.486
 ASSI (
   (( segid "    " and resid 44   and name HB3 ))
 )(
   (( segid "    " and resid 41   and name HB3 ))
 )
      3.000     1.100     1.100 peak  2593 weight  0.10000E+01 volume  0.20500E+00 ppm1      2.102 ppm2      3.489
 ASSI (
   (( segid "    " and resid 46   and name HB  ))
 )(
   (( segid "    " and resid 46   and name HA  ))
 )
      2.400     0.700     0.700 peak  2597 weight  0.10000E+01 volume  0.12530E+01 ppm1      2.173 ppm2      4.292
 ASSI (
   (( segid "    " and resid 70   and name HB  ))
 )(
   (( segid "    " and resid 70   and name H   ))
 )
      2.500     0.800     0.800 peak  2598 weight  0.10000E+01 volume  0.59800E+00 ppm1      2.190 ppm2      8.022
 ASSI (
   (( segid "    " and resid 80   and name HB2 ))
 )(
   (( segid "    " and resid 80   and name HB3 ))
 )
      1.900     0.500     0.500 peak  2605 weight  0.10000E+01 volume  0.39520E+01 ppm1      1.988 ppm2      2.183
 ASSI (
   (( segid "    " and resid 80   and name HB2 ))
 )(
   (( segid "    " and resid 80   and name HG2 ))
 )
      2.500     0.800     0.800 peak  2606 weight  0.10000E+01 volume  0.70600E+00 ppm1      1.994 ppm2      1.782
 ASSI (
   (( segid "    " and resid 80   and name HB3 ))
 )(
   (( segid "    " and resid 18   and name HA  ))
 )
      3.300     1.400     1.400 peak  2608 weight  0.10000E+01 volume  0.20500E+00 ppm1      2.176 ppm2      3.249
 ASSI (
   (( segid "    " and resid 80   and name HB2 ))
 )(
   (( segid "    " and resid 80   and name HD2 ))
 )
      3.300     1.400     1.400 peak  2611 weight  0.10000E+01 volume  0.12000E+00 ppm1      1.992 ppm2      4.466
 ASSI (
   (( segid "    " and resid 80   and name HB3 ))
 )(
   (( segid "    " and resid 81   and name H   ))
 )
      3.000     1.100     1.100 peak  2612 weight  0.10000E+01 volume  0.23100E+00 ppm1      2.179 ppm2      8.958
 ASSI (
   (( segid "    " and resid 80   and name HB2 ))
 )(
   (( segid "    " and resid 19   and name H   ))
 )
      3.200     1.300     1.300 peak  2613 weight  0.10000E+01 volume  0.16000E+00 ppm1      1.986 ppm2      8.379
 ASSI (
   (( segid "    " and resid 80   and name HB3 ))
 )(
   (( segid "    " and resid 86   and name HD2 ))
 )
      3.700     1.700     1.700 peak  2614 weight  0.10000E+01 volume  0.12400E+00 ppm1      2.175 ppm2      6.581
 ASSI (
   (( segid "    " and resid 80   and name HB2 ))
 )(
   (( segid "    " and resid 80   and name HD3 ))
 )
      2.900     1.100     1.100 peak  2615 weight  0.10000E+01 volume  0.24600E+00 ppm1      1.979 ppm2      3.872
 ASSI (
   (( segid "    " and resid 80   and name HB3 ))
 )(
   (( segid "    " and resid 80   and name HD3 ))
 )
      2.900     1.100     1.100 peak  2616 weight  0.10000E+01 volume  0.28600E+00 ppm1      2.171 ppm2      3.847
 ASSI (
   (( segid "    " and resid 113  and name HB3 ))
 )(
   (( segid "    " and resid 113  and name HB2 ))
 )
      1.700     0.400     0.500 peak  2623 weight  0.10000E+01 volume  0.58360E+01 ppm1      1.476 ppm2      1.903
 ASSI (
   (( segid "    " and resid 113  and name HB2 ))
 )(
   (( segid "    " and resid 113  and name HG2 ))
 )
      2.100     0.600     0.600 peak  2625 weight  0.10000E+01 volume  0.20280E+01 ppm1      1.903 ppm2      1.319
 ASSI (
   (( segid "    " and resid 113  and name HB3 ))
 )(
   (( segid "    " and resid 113  and name H   ))
 )
      2.600     0.800     0.800 peak  2627 weight  0.10000E+01 volume  0.52900E+00 ppm1      1.478 ppm2      8.363
 ASSI (
   (( segid "    " and resid 8    and name HB3 ))
 )(
   (( segid "    " and resid 9    and name H   ))
 )
      3.000     1.100     1.100 peak  2630 weight  0.10000E+01 volume  0.20500E+00 ppm1      1.887 ppm2      8.273
 ASSI (
   (( segid "    " and resid 68   and name HB  ))
 )(
   (( segid "    " and resid 68   and name H   ))
 )
      2.400     0.700     0.700 peak  2633 weight  0.10000E+01 volume  0.91700E+00 ppm1      2.069 ppm2      8.052
 ASSI (
   (( segid "    " and resid 68   and name HB  ))
 )(
   (( segid "    " and resid 68   and name HA  ))
 )
      2.700     0.900     0.900 peak  2634 weight  0.10000E+01 volume  0.63100E+00 ppm1      2.066 ppm2      4.097
 ASSI (
   (( segid "    " and resid 1    and name HB2 ))
 )(
   (( segid "    " and resid 3    and name H   ))
 )
      2.700     0.900     0.900 peak  2636 weight  0.10000E+01 volume  0.37800E+00 ppm1      2.038 ppm2      8.337
 ASSI (
   (( segid "    " and resid 1    and name HB3 ))
 )(
   (( segid "    " and resid 3    and name H   ))
 )
      2.800     1.000     1.000 peak  2637 weight  0.10000E+01 volume  0.35100E+00 ppm1      2.097 ppm2      8.325
 ASSI (
   (( segid "    " and resid 8    and name HB3 ))
 )(
   (( segid "    " and resid 104  and name HG2 ))
 )
      3.500     1.500     1.500 peak  2646 weight  0.10000E+01 volume  0.87000E-01 ppm1      1.890 ppm2      2.419
 ASSI (
   (( segid "    " and resid 8    and name HB2 ))
 )(
   (( segid "    " and resid 104  and name HG2 ))
 )
      2.900     1.100     1.100 peak  2648 weight  0.10000E+01 volume  0.25400E+00 ppm1      1.785 ppm2      2.431
 ASSI (
   (( segid "    " and resid 8    and name HB3 ))
 )(
   (( segid "    " and resid 8    and name HA  ))
 )
      2.600     0.800     0.800 peak  2649 weight  0.10000E+01 volume  0.72100E+00 ppm1      1.889 ppm2      4.371
 ASSI (
   (( segid "    " and resid 8    and name HB2 ))
 )(
   (( segid "    " and resid 8    and name HA  ))
 )
      2.800     1.000     1.000 peak  2650 weight  0.10000E+01 volume  0.55400E+00 ppm1      1.789 ppm2      4.376
 ASSI (
   (( segid "    " and resid 8    and name HB2 ))
 )(
   (( segid "    " and resid 9    and name H   ))
 )
      2.900     1.100     1.100 peak  2651 weight  0.10000E+01 volume  0.24600E+00 ppm1      1.789 ppm2      8.256
 ASSI (
   (( segid "    " and resid 8    and name HB3 ))
 )(
   (( segid "    " and resid 8    and name H   ))
 )
      2.800     1.000     1.000 peak  2652 weight  0.10000E+01 volume  0.32300E+00 ppm1      1.888 ppm2      8.473
 ASSI (
   (( segid "    " and resid 8    and name HB2 ))
 )(
   (( segid "    " and resid 8    and name H   ))
 )
      2.600     0.800     0.800 peak  2653 weight  0.10000E+01 volume  0.46800E+00 ppm1      1.792 ppm2      8.465
 ASSI (
   (( segid "    " and resid 20   and name HB2 ))
 )(
   (( segid "    " and resid 20   and name HB3 ))
 )
      1.800     0.400     0.400 peak  2655 weight  0.10000E+01 volume  0.42980E+01 ppm1      1.905 ppm2      1.658
 ASSI (
   (( segid "    " and resid 20   and name HB3 ))
 )(
   (( segid "    " and resid 20   and name HD3 ))
 )
      2.300     0.700     0.700 peak  2656 weight  0.10000E+01 volume  0.10840E+01 ppm1      1.661 ppm2      1.463
 ASSI (
   (( segid "    " and resid 20   and name HB3 ))
 )(
   (( segid "    " and resid 20   and name HD2 ))
 )
      2.400     0.700     0.700 peak  2657 weight  0.10000E+01 volume  0.75900E+00 ppm1      1.663 ppm2      1.294
 ASSI (
   (( segid "    " and resid 20   and name HB2 ))
 )(
   (( segid "    " and resid 20   and name HD2 ))
 )
      2.400     0.700     0.700 peak  2658 weight  0.10000E+01 volume  0.82100E+00 ppm1      1.898 ppm2      1.294
 ASSI (
   (( segid "    " and resid 20   and name HB2 ))
 )(
   (( segid "    " and resid 20   and name HA  ))
 )
      2.700     0.900     0.900 peak  2659 weight  0.10000E+01 volume  0.63700E+00 ppm1      1.909 ppm2      4.536
 ASSI (
   (( segid "    " and resid 20   and name HB3 ))
 )(
   (( segid "    " and resid 20   and name HA  ))
 )
      2.700     0.900     0.900 peak  2660 weight  0.10000E+01 volume  0.58700E+00 ppm1      1.664 ppm2      4.524
 ASSI (
   (( segid "    " and resid 20   and name HB2 ))
 )(
   (( segid "    " and resid 20   and name H   ))
 )
      2.500     0.800     0.800 peak  2661 weight  0.10000E+01 volume  0.59500E+00 ppm1      1.901 ppm2      7.615
 ASSI (
   (( segid "    " and resid 20   and name HB3 ))
 )(
   (( segid "    " and resid 20   and name H   ))
 )
      2.400     0.700     0.700 peak  2662 weight  0.10000E+01 volume  0.87700E+00 ppm1      1.664 ppm2      7.612
 ASSI (
   (( segid "    " and resid 20   and name HB3 ))
 )(
   (( segid "    " and resid 17   and name H   ))
 )
      2.600     0.800     0.800 peak  2664 weight  0.10000E+01 volume  0.49700E+00 ppm1      1.658 ppm2      8.809
 ASSI (
   (( segid "    " and resid 76   and name HB  ))
 )(
   (( segid "    " and resid 76   and name H   ))
 )
      2.300     0.700     0.700 peak  2667 weight  0.10000E+01 volume  0.10620E+01 ppm1      1.726 ppm2      9.200
 ASSI (
   (( segid "    " and resid 76   and name HB  ))
 )(
   (( segid "    " and resid 76   and name HA  ))
 )
      3.200     1.300     1.300 peak  2669 weight  0.10000E+01 volume  0.23500E+00 ppm1      1.730 ppm2      4.929
 ASSI (
   (( segid "    " and resid 60   and name HB2 ))
 )(
   (( segid "    " and resid 60   and name HD3 ))
 )
      3.000     1.100     1.100 peak  2671 weight  0.10000E+01 volume  0.23000E+00 ppm1      1.857 ppm2      3.431
 ASSI (
   (( segid "    " and resid 100  and name HB3 ))
 )(
   (( segid "    " and resid 100  and name HB2 ))
 )
      2.100     0.600     0.600 peak  2672 weight  0.10000E+01 volume  0.19240E+01 ppm1      1.499 ppm2      2.080
 ASSI (
   (( segid "    " and resid 100  and name HB3 ))
 )(
   (( segid "    " and resid 101  and name HD3 ))
 )
      2.600     0.800     0.800 peak  2676 weight  0.10000E+01 volume  0.53800E+00 ppm1      1.513 ppm2      3.843
 ASSI (
   (( segid "    " and resid 100  and name HB2 ))
 )(
   (( segid "    " and resid 100  and name HA  ))
 )
      2.800     1.000     1.000 peak  2677 weight  0.10000E+01 volume  0.49200E+00 ppm1      2.083 ppm2      4.890
 ASSI (
   (( segid "    " and resid 100  and name HB3 ))
 )(
   (( segid "    " and resid 100  and name HA  ))
 )
      2.900     1.100     1.100 peak  2678 weight  0.10000E+01 volume  0.37500E+00 ppm1      1.506 ppm2      4.890
 ASSI (
   (( segid "    " and resid 100  and name HB3 ))
 )(
   (( segid "    " and resid 103  and name HD21))
 )
      3.500     1.500     1.500 peak  2681 weight  0.10000E+01 volume  0.12200E+00 ppm1      1.505 ppm2      8.291
 ASSI (
   (( segid "    " and resid 78   and name HB  ))
 )(
   (( segid "    " and resid 22   and name HB  ))
 )
      2.400     0.700     0.700 peak  2686 weight  0.10000E+01 volume  0.94900E+00 ppm1      1.825 ppm2      3.688
 ASSI (
   (( segid "    " and resid 78   and name HB  ))
 )(
   (( segid "    " and resid 22   and name H   ))
 )
      3.100     1.200     1.200 peak  2691 weight  0.10000E+01 volume  0.19000E+00 ppm1      1.826 ppm2      9.517
 ASSI (
   (( segid "    " and resid 78   and name HB  ))
 )(
   (( segid "    " and resid 78   and name H   ))
 )
      2.300     0.700     0.700 peak  2692 weight  0.10000E+01 volume  0.11530E+01 ppm1      1.831 ppm2      8.997
 ASSI (
   (( segid "    " and resid 54   and name HB  ))
 )(
   (( segid "    " and resid 47   and name HB2 ))
 )
      2.600     0.800     0.800 peak  2694 weight  0.10000E+01 volume  0.48500E+00 ppm1      1.565 ppm2      1.079
 ASSI (
   (( segid "    " and resid 54   and name HB  ))
 )(
   (( segid "    " and resid 54   and name HA  ))
 )
      3.000     1.100     1.100 peak  2698 weight  0.10000E+01 volume  0.33900E+00 ppm1      1.561 ppm2      4.856
 ASSI (
   (( segid "    " and resid 54   and name HB  ))
 )(
   (( segid "    " and resid 54   and name H   ))
 )
      2.800     1.000     1.000 peak  2699 weight  0.10000E+01 volume  0.34200E+00 ppm1      1.559 ppm2      8.449
 ASSI (
   (( segid "    " and resid 105  and name HG2 ))
 )(
   (( segid "    " and resid 105  and name HA  ))
 )
      3.000     1.100     1.100 peak  2720 weight  0.10000E+01 volume  0.33400E+00 ppm1      1.710 ppm2      5.366
 ASSI (
   (( segid "    " and resid 105  and name HG3 ))
 )(
   (( segid "    " and resid 105  and name HA  ))
 )
      2.900     1.100     1.100 peak  2721 weight  0.10000E+01 volume  0.38200E+00 ppm1      1.770 ppm2      5.350
 ASSI (
   (( segid "    " and resid 105  and name HG2 ))
 )(
   (( segid "    " and resid 13   and name HZ2 ))
 )
      3.700     1.700     1.700 peak  2723 weight  0.10000E+01 volume  0.12000E+00 ppm1      1.710 ppm2      6.993
 ASSI (
   (( segid "    " and resid 40   and name HA2 ))
 )(
   (( segid "    " and resid 39   and name HA  ))
 )
      3.200     1.300     1.300 peak  2728 weight  0.10000E+01 volume  0.34200E+00 ppm1      4.408 ppm2      3.467
 ASSI (
   (( segid "    " and resid 42   and name HA  ))
 )(
   (( segid "    " and resid 43   and name HA2 ))
 )
      3.400     1.400     1.400 peak  2729 weight  0.10000E+01 volume  0.24300E+00 ppm1      3.718 ppm2      4.200
 ASSI (
   (( segid "    " and resid 111  and name HB2 ))
 )(
   (( segid "    " and resid 15   and name HA  ))
 )
      2.700     0.900     0.900 peak  2732 weight  0.10000E+01 volume  0.65900E+00 ppm1      2.747 ppm2      5.414
 ASSI (
   (( segid "    " and resid 111  and name HB2 ))
 )(
   (( segid "    " and resid 111  and name H   ))
 )
      2.600     0.800     0.800 peak  2735 weight  0.10000E+01 volume  0.51800E+00 ppm1      2.749 ppm2      9.107
 ASSI (
   (( segid "    " and resid 111  and name HB3 ))
 )(
   (( segid "    " and resid 111  and name HD22))
 )
      3.100     1.200     1.200 peak  2739 weight  0.10000E+01 volume  0.22200E+00 ppm1      3.372 ppm2      6.689
 ASSI (
   (( segid "    " and resid 111  and name HB3 ))
 )(
   (( segid "    " and resid 111  and name HD21))
 )
      2.600     0.800     0.800 peak  2740 weight  0.10000E+01 volume  0.66000E+00 ppm1      3.369 ppm2      7.674
 ASSI (
   (( segid "    " and resid 111  and name HB3 ))
 )(
   (( segid "    " and resid 111  and name H   ))
 )
      2.500     0.800     0.800 peak  2742 weight  0.10000E+01 volume  0.73700E+00 ppm1      3.368 ppm2      9.108
 ASSI (
   (( segid "    " and resid 111  and name HB3 ))
 )(
   (( segid "    " and resid 16   and name H   ))
 )
      3.400     1.400     1.400 peak  2745 weight  0.10000E+01 volume  0.10800E+00 ppm1      3.366 ppm2      8.872
 ASSI (
   (( segid "    " and resid 85   and name HA  ))
 )(
   (( segid "    " and resid 111  and name HA  ))
 )
      2.900     1.100     1.100 peak  2747 weight  0.10000E+01 volume  0.66700E+00 ppm1      5.254 ppm2      4.781
 ASSI (
   (( segid "    " and resid 36   and name HA  ))
 )(
   (( segid "    " and resid 92   and name HA  ))
 )
      2.800     1.000     1.000 peak  2748 weight  0.10000E+01 volume  0.82000E+00 ppm1      5.163 ppm2      4.371
 ASSI (
   (( segid "    " and resid 13   and name HA  ))
 )(
   (( segid "    " and resid 109  and name HB3 ))
 )
      2.100     0.600     0.600 peak  2755 weight  0.10000E+01 volume  0.31110E+01 ppm1      5.148 ppm2      2.274
 ASSI (
   (( segid "    " and resid 38   and name HG2 ))
 )(
   (( segid "    " and resid 38   and name HE  ))
 )
      2.800     1.000     1.000 peak  2759 weight  0.10000E+01 volume  0.36300E+00 ppm1      1.988 ppm2      7.447
 ASSI (
   (( segid "    " and resid 36   and name HA  ))
 )(
   (( segid "    " and resid 93   and name H   ))
 )
      3.400     1.400     1.400 peak  2763 weight  0.10000E+01 volume  0.16800E+00 ppm1      5.170 ppm2      8.198
 ASSI (
   (( segid "    " and resid 13   and name HE1 ))
 )(
   (( segid "    " and resid 11   and name HB3 ))
  OR 
   (( segid "    " and resid 11   and name HB2 ))
 )
      3.600     1.600     1.600 peak     5 weight  0.10000E+01 volume  0.13400E+00 ppm1      9.934 ppm2      2.484
 ASSI (
   (( segid "    " and resid 22   and name H   ))
 )(
   (( segid "    " and resid 22   and name HG23))
  OR 
   (( segid "    " and resid 22   and name HG22))
  OR 
   (( segid "    " and resid 22   and name HG21))
  OR 
   (( segid "    " and resid 21   and name HG23))
  OR 
   (( segid "    " and resid 21   and name HG22))
  OR 
   (( segid "    " and resid 21   and name HG21))
 )
      2.700     0.900     0.900 peak    11 weight  0.10000E+01 volume  0.17540E+01 ppm1      9.509 ppm2      1.053
 ASSI (
   (( segid "    " and resid 22   and name H   ))
 )(
   (( segid "    " and resid 108  and name HD13))
  OR 
   (( segid "    " and resid 108  and name HD12))
  OR 
   (( segid "    " and resid 108  and name HD11))
  OR 
   (( segid "    " and resid 78   and name HG23))
  OR 
   (( segid "    " and resid 78   and name HG22))
  OR 
   (( segid "    " and resid 78   and name HG21))
  OR 
   (( segid "    " and resid 78   and name HG13))
  OR 
   (( segid "    " and resid 78   and name HG12))
  OR 
   (( segid "    " and resid 78   and name HG11))
  OR 
   (( segid "    " and resid 77   and name HD23))
  OR 
   (( segid "    " and resid 77   and name HD22))
  OR 
   (( segid "    " and resid 77   and name HD21))
 )
      3.500     1.500     1.500 peak    12 weight  0.10000E+01 volume  0.35500E+00 ppm1      9.511 ppm2      0.789
 ASSI (
   (( segid "    " and resid 76   and name H   ))
 )(
   (( segid "    " and resid 78   and name HG13))
  OR 
   (( segid "    " and resid 78   and name HG11))
  OR 
   (( segid "    " and resid 75   and name HG23))
  OR 
   (( segid "    " and resid 75   and name HG22))
  OR 
   (( segid "    " and resid 75   and name HG21))
 )
      3.000     1.100     1.100 peak    17 weight  0.10000E+01 volume  0.93400E+00 ppm1      9.185 ppm2      0.778
 ASSI (
   (( segid "    " and resid 76   and name H   ))
 )(
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
  OR 
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
  OR 
   (( segid "    " and resid 75   and name HG13))
  OR 
   (( segid "    " and resid 75   and name HG12))
  OR 
   (( segid "    " and resid 75   and name HG11))
  OR 
   (( segid "    " and resid 24   and name HD13))
  OR 
   (( segid "    " and resid 24   and name HD12))
 )
      2.600     0.800     0.800 peak    18 weight  0.10000E+01 volume  0.18730E+01 ppm1      9.193 ppm2      0.554
 ASSI (
   (( segid "    " and resid 76   and name H   ))
  OR 
   (( segid "    " and resid 36   and name HE1 ))
 )(
   (( segid "    " and resid 26   and name HB3 ))
  OR 
   (( segid "    " and resid 24   and name HG23))
  OR 
   (( segid "    " and resid 24   and name HG22))
  OR 
   (( segid "    " and resid 24   and name HG21))
 )
      3.300     1.400     1.400 peak    20 weight  0.10000E+01 volume  0.37200E+00 ppm1      9.230 ppm2      0.329
 ASSI (
   (( segid "    " and resid 88   and name H   ))
 )(
   (( segid "    " and resid 87   and name HG23))
  OR 
   (( segid "    " and resid 87   and name HG22))
  OR 
   (( segid "    " and resid 87   and name HG21))
  OR 
   (( segid "    " and resid 52   and name HD23))
  OR 
   (( segid "    " and resid 52   and name HD22))
  OR 
   (( segid "    " and resid 52   and name HD21))
 )
      2.800     1.000     1.000 peak    25 weight  0.10000E+01 volume  0.12230E+01 ppm1      9.217 ppm2      0.687
 ASSI (
   (( segid "    " and resid 24   and name H   ))
 )(
   (( segid "    " and resid 78   and name HG13))
  OR 
   (( segid "    " and resid 78   and name HG12))
  OR 
   (( segid "    " and resid 78   and name HG11))
  OR 
   (( segid "    " and resid 77   and name HD13))
  OR 
   (( segid "    " and resid 77   and name HD12))
  OR 
   (( segid "    " and resid 77   and name HD11))
 )
      2.900     1.100     1.100 peak    35 weight  0.10000E+01 volume  0.11670E+01 ppm1      9.285 ppm2      0.741
 ASSI (
   (( segid "    " and resid 24   and name H   ))
 )(
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
  OR 
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
  OR 
   (( segid "    " and resid 75   and name HG13))
  OR 
   (( segid "    " and resid 75   and name HG12))
  OR 
   (( segid "    " and resid 75   and name HG11))
  OR 
   (( segid "    " and resid 24   and name HD13))
  OR 
   (( segid "    " and resid 24   and name HD12))
  OR 
   (( segid "    " and resid 24   and name HD11))
 )
      3.600     1.600     1.600 peak    36 weight  0.10000E+01 volume  0.28500E+00 ppm1      9.291 ppm2      0.548
 ASSI (
   (( segid "    " and resid 24   and name H   ))
 )(
   (( segid "    " and resid 25   and name H   ))
  OR 
   (( segid "    " and resid 23   and name H   ))
 )
      3.300     1.400     1.400 peak    37 weight  0.10000E+01 volume  0.26300E+00 ppm1      9.277 ppm2      8.745
 ASSI (
   (( segid "    " and resid 79   and name H   ))
 )(
   (( segid "    " and resid 80   and name HB3 ))
  OR 
   (( segid "    " and resid 53   and name HG2 ))
  OR 
   (( segid "    " and resid 53   and name HB3 ))
 )
      2.900     1.100     1.100 peak    45 weight  0.10000E+01 volume  0.51300E+00 ppm1      9.069 ppm2      2.184
 ASSI (
   (( segid "    " and resid 79   and name H   ))
  OR 
   (( segid "    " and resid 57   and name H   ))
 )(
   (( segid "    " and resid 55   and name HB  ))
  OR 
   (( segid "    " and resid 53   and name HB2 ))
 )
      2.700     0.900     0.900 peak    46 weight  0.10000E+01 volume  0.71900E+00 ppm1      9.060 ppm2      1.916
 ASSI (
   (( segid "    " and resid 79   and name H   ))
  OR 
   (( segid "    " and resid 57   and name H   ))
 )(
   (( segid "    " and resid 79   and name HB2 ))
  OR 
   (( segid "    " and resid 57   and name HD3 ))
  OR 
   (( segid "    " and resid 57   and name HD2 ))
 )
      2.400     0.700     0.700 peak    47 weight  0.10000E+01 volume  0.16480E+01 ppm1      9.064 ppm2      1.605
 ASSI (
   (( segid "    " and resid 79   and name H   ))
  OR 
   (( segid "    " and resid 57   and name H   ))
 )(
   (( segid "    " and resid 78   and name HG23))
  OR 
   (( segid "    " and resid 78   and name HG22))
  OR 
   (( segid "    " and resid 78   and name HG21))
  OR 
   (( segid "    " and resid 78   and name HG13))
  OR 
   (( segid "    " and resid 78   and name HG12))
  OR 
   (( segid "    " and resid 78   and name HG11))
  OR 
   (( segid "    " and resid 77   and name HD23))
  OR 
   (( segid "    " and resid 77   and name HD22))
  OR 
   (( segid "    " and resid 77   and name HD21))
  OR 
   (( segid "    " and resid 75   and name HG23))
  OR 
   (( segid "    " and resid 75   and name HG22))
  OR 
   (( segid "    " and resid 75   and name HG21))
 )
      2.700     0.900     0.900 peak    48 weight  0.10000E+01 volume  0.17930E+01 ppm1      9.060 ppm2      0.796
 ASSI (
   (( segid "    " and resid 57   and name H   ))
 )(
   (( segid "    " and resid 74   and name HA  ))
  OR 
   (( segid "    " and resid 57   and name HA  ))
 )
      2.400     0.700     0.700 peak    51 weight  0.10000E+01 volume  0.19360E+01 ppm1      9.030 ppm2      4.882
 ASSI (
   (( segid "    " and resid 79   and name H   ))
  OR 
   (( segid "    " and resid 57   and name H   ))
 )(
   (( segid "    " and resid 55   and name HG23))
  OR 
   (( segid "    " and resid 55   and name HG22))
  OR 
   (( segid "    " and resid 55   and name HG21))
  OR 
   (( segid "    " and resid 55   and name HG13))
  OR 
   (( segid "    " and resid 55   and name HG12))
  OR 
   (( segid "    " and resid 55   and name HG11))
 )
      3.300     1.400     1.400 peak    54 weight  0.10000E+01 volume  0.50100E+00 ppm1      9.033 ppm2      0.951
 ASSI (
   (( segid "    " and resid 57   and name H   ))
 )(
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
  OR 
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
  OR 
   (( segid "    " and resid 75   and name HG13))
  OR 
   (( segid "    " and resid 75   and name HG12))
  OR 
   (( segid "    " and resid 75   and name HG11))
 )
      2.900     1.100     1.100 peak    55 weight  0.10000E+01 volume  0.10210E+01 ppm1      9.030 ppm2      0.561
 ASSI (
   (( segid "    " and resid 58   and name H   ))
 )(
   (( segid "    " and resid 58   and name HD2 ))
  OR 
   (( segid "    " and resid 58   and name HD1 ))
 )
      3.500     1.500     1.500 peak    57 weight  0.10000E+01 volume  0.20500E+00 ppm1      9.076 ppm2      6.155
 ASSI (
   (( segid "    " and resid 56   and name H   ))
 )(
   (( segid "    " and resid 77   and name HB2 ))
  OR 
   (( segid "    " and resid 76   and name HB  ))
  OR 
   (( segid "    " and resid 57   and name HB3 ))
  OR 
   (( segid "    " and resid 47   and name HG  ))
 )
      2.900     1.100     1.100 peak    62 weight  0.10000E+01 volume  0.49400E+00 ppm1      9.127 ppm2      1.697
 ASSI (
   (( segid "    " and resid 109  and name H   ))
  OR 
   (( segid "    " and resid 56   and name H   ))
 )(
   (( segid "    " and resid 105  and name HG3 ))
  OR 
   (( segid "    " and resid 90   and name HB2 ))
  OR 
   (( segid "    " and resid 77   and name HB2 ))
  OR 
   (( segid "    " and resid 76   and name HB  ))
  OR 
   (( segid "    " and resid 57   and name HB3 ))
  OR 
   (( segid "    " and resid 38   and name HG2 ))
  OR 
   (( segid "    " and resid 12   and name HD3 ))
  OR 
   (( segid "    " and resid 12   and name HD2 ))
  OR 
   (( segid "    " and resid 12   and name HB3 ))
  OR 
   (( segid "    " and resid 12   and name HB2 ))
 )
      3.100     1.200     1.200 peak    70 weight  0.10000E+01 volume  0.32400E+00 ppm1      9.164 ppm2      1.736
 ASSI (
   (( segid "    " and resid 56   and name H   ))
 )(
   (( segid "    " and resid 55   and name HG23))
  OR 
   (( segid "    " and resid 55   and name HG22))
  OR 
   (( segid "    " and resid 55   and name HG21))
  OR 
   (( segid "    " and resid 55   and name HG13))
  OR 
   (( segid "    " and resid 55   and name HG12))
  OR 
   (( segid "    " and resid 55   and name HG11))
  OR 
   (( segid "    " and resid 47   and name HD23))
  OR 
   (( segid "    " and resid 47   and name HD22))
  OR 
   (( segid "    " and resid 47   and name HD21))
 )
      2.600     0.800     0.800 peak    71 weight  0.10000E+01 volume  0.20620E+01 ppm1      9.141 ppm2      0.917
 ASSI (
   (( segid "    " and resid 109  and name H   ))
 )(
   (( segid "    " and resid 109  and name HB2 ))
  OR 
   (( segid "    " and resid 88   and name HB2 ))
 )
      3.200     1.300     1.300 peak    75 weight  0.10000E+01 volume  0.30000E+00 ppm1      9.162 ppm2      2.001
 ASSI (
   (( segid "    " and resid 109  and name H   ))
 )(
   (( segid "    " and resid 108  and name HG  ))
  OR 
   (( segid "    " and resid 108  and name HB3 ))
 )
      2.800     1.000     1.000 peak    76 weight  0.10000E+01 volume  0.69200E+00 ppm1      9.170 ppm2      1.274
 ASSI (
   (( segid "    " and resid 77   and name H   ))
  OR 
   (( segid "    " and resid 13   and name H   ))
 )(
   (( segid "    " and resid 77   and name HB2 ))
  OR 
   (( segid "    " and resid 76   and name HB  ))
  OR 
   (( segid "    " and resid 12   and name HD2 ))
  OR 
   (( segid "    " and resid 12   and name HB3 ))
  OR 
   (( segid "    " and resid 12   and name HB2 ))
 )
      2.500     0.800     0.800 peak    87 weight  0.10000E+01 volume  0.14350E+01 ppm1      8.928 ppm2      1.713
 ASSI (
   (( segid "    " and resid 77   and name H   ))
  OR 
   (( segid "    " and resid 13   and name H   ))
 )(
   (( segid "    " and resid 55   and name HG23))
  OR 
   (( segid "    " and resid 55   and name HG22))
  OR 
   (( segid "    " and resid 55   and name HG21))
  OR 
   (( segid "    " and resid 55   and name HG13))
  OR 
   (( segid "    " and resid 55   and name HG12))
  OR 
   (( segid "    " and resid 55   and name HG11))
  OR 
   (( segid "    " and resid 14   and name HG23))
  OR 
   (( segid "    " and resid 14   and name HG21))
  OR 
   (( segid "    " and resid 14   and name HG13))
  OR 
   (( segid "    " and resid 14   and name HG12))
  OR 
   (( segid "    " and resid 14   and name HG11))
 )
      3.100     1.200     1.200 peak    90 weight  0.10000E+01 volume  0.75700E+00 ppm1      8.928 ppm2      0.929
 ASSI (
   (( segid "    " and resid 77   and name H   ))
  OR 
   (( segid "    " and resid 13   and name H   ))
 )(
   (( segid "    " and resid 110  and name HD23))
  OR 
   (( segid "    " and resid 110  and name HD22))
  OR 
   (( segid "    " and resid 110  and name HD21))
  OR 
   (( segid "    " and resid 88   and name HD23))
  OR 
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
  OR 
   (( segid "    " and resid 78   and name HG13))
  OR 
   (( segid "    " and resid 78   and name HG12))
  OR 
   (( segid "    " and resid 78   and name HG11))
  OR 
   (( segid "    " and resid 77   and name HD23))
  OR 
   (( segid "    " and resid 77   and name HD22))
  OR 
   (( segid "    " and resid 77   and name HD21))
  OR 
   (( segid "    " and resid 75   and name HG23))
  OR 
   (( segid "    " and resid 75   and name HG22))
  OR 
   (( segid "    " and resid 75   and name HG21))
 )
      2.900     1.100     1.100 peak    91 weight  0.10000E+01 volume  0.11240E+01 ppm1      8.922 ppm2      0.772
 ASSI (
   (( segid "    " and resid 77   and name H   ))
 )(
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
  OR 
   (( segid "    " and resid 54   and name HG13))
  OR 
   (( segid "    " and resid 54   and name HG12))
  OR 
   (( segid "    " and resid 54   and name HG11))
 )
      2.600     0.800     0.800 peak    92 weight  0.10000E+01 volume  0.20160E+01 ppm1      8.922 ppm2      0.562
 ASSI (
   (( segid "    " and resid 104  and name H   ))
 )(
   (( segid "    " and resid 103  and name HD22))
  OR 
   (( segid "    " and resid 103  and name H   ))
 )
      2.900     1.100     1.100 peak    94 weight  0.10000E+01 volume  0.56600E+00 ppm1      9.220 ppm2      7.774
 ASSI (
   (( segid "    " and resid 104  and name H   ))
 )(
   (( segid "    " and resid 104  and name HG3 ))
  OR 
   (( segid "    " and resid 104  and name HG2 ))
 )
      2.800     1.000     1.000 peak    97 weight  0.10000E+01 volume  0.66000E+00 ppm1      9.222 ppm2      2.471
 ASSI (
   (( segid "    " and resid 23   and name H   ))
 )(
   (( segid "    " and resid 23   and name HB3 ))
  OR 
   (( segid "    " and resid 23   and name HB2 ))
 )
      2.400     0.700     0.700 peak   102 weight  0.10000E+01 volume  0.17020E+01 ppm1      8.738 ppm2      1.777
 ASSI (
   (( segid "    " and resid 23   and name H   ))
 )(
   (( segid "    " and resid 22   and name HG23))
  OR 
   (( segid "    " and resid 22   and name HG22))
  OR 
   (( segid "    " and resid 22   and name HG21))
  OR 
   (( segid "    " and resid 21   and name HG23))
  OR 
   (( segid "    " and resid 21   and name HG22))
  OR 
   (( segid "    " and resid 21   and name HG21))
 )
      2.800     1.000     1.000 peak   104 weight  0.10000E+01 volume  0.13250E+01 ppm1      8.735 ppm2      1.082
 ASSI (
   (( segid "    " and resid 39   and name H   ))
 )(
   (( segid "    " and resid 39   and name HG23))
  OR 
   (( segid "    " and resid 39   and name HG22))
  OR 
   (( segid "    " and resid 39   and name HG21))
  OR 
   (( segid "    " and resid 39   and name HG13))
  OR 
   (( segid "    " and resid 39   and name HG12))
  OR 
   (( segid "    " and resid 39   and name HG11))
 )
      2.600     0.800     0.800 peak   107 weight  0.10000E+01 volume  0.20110E+01 ppm1      8.661 ppm2      0.918
 ASSI (
   (( segid "    " and resid 89   and name H   ))
  OR 
   (( segid "    " and resid 39   and name H   ))
 )(
   (( segid "    " and resid 89   and name HG2 ))
  OR 
   (( segid "    " and resid 89   and name HB2 ))
  OR 
   (( segid "    " and resid 39   and name HB  ))
  OR 
   (( segid "    " and resid 38   and name HG2 ))
 )
      2.100     0.600     0.600 peak   108 weight  0.10000E+01 volume  0.35240E+01 ppm1      8.666 ppm2      2.024
 ASSI (
   (( segid "    " and resid 39   and name H   ))
 )(
   (( segid "    " and resid 91   and name HB  ))
  OR 
   (( segid "    " and resid 90   and name HB2 ))
  OR 
   (( segid "    " and resid 38   and name HG2 ))
 )
      2.900     1.100     1.100 peak   109 weight  0.10000E+01 volume  0.48800E+00 ppm1      8.666 ppm2      1.778
 ASSI (
   (( segid "    " and resid 89   and name H   ))
 )(
   (( segid "    " and resid 88   and name HD23))
  OR 
   (( segid "    " and resid 88   and name HD22))
  OR 
   (( segid "    " and resid 88   and name HD21))
 )
      2.700     0.900     0.900 peak   111 weight  0.10000E+01 volume  0.17250E+01 ppm1      8.674 ppm2      0.794
 ASSI (
   (( segid "    " and resid 89   and name H   ))
 )(
   (( segid "    " and resid 90   and name HD23))
  OR 
   (( segid "    " and resid 90   and name HD22))
  OR 
   (( segid "    " and resid 90   and name HD21))
  OR 
   (( segid "    " and resid 87   and name HG23))
  OR 
   (( segid "    " and resid 87   and name HG22))
  OR 
   (( segid "    " and resid 87   and name HG21))
  OR 
   (( segid "    " and resid 52   and name HD22))
  OR 
   (( segid "    " and resid 52   and name HD21))
 )
      2.500     0.800     0.800 peak   112 weight  0.10000E+01 volume  0.28220E+01 ppm1      8.675 ppm2      0.696
 ASSI (
   (( segid "    " and resid 108  and name H   ))
  OR 
   (( segid "    " and resid 89   and name H   ))
 )(
   (( segid "    " and resid 90   and name H   ))
  OR 
   (( segid "    " and resid 88   and name H   ))
 )
      2.900     1.100     1.100 peak   113 weight  0.10000E+01 volume  0.51800E+00 ppm1      8.688 ppm2      9.214
 ASSI (
   (( segid "    " and resid 15   and name H   ))
 )(
   (( segid "    " and resid 14   and name HG23))
  OR 
   (( segid "    " and resid 14   and name HG22))
  OR 
   (( segid "    " and resid 14   and name HG21))
  OR 
   (( segid "    " and resid 14   and name HG13))
  OR 
   (( segid "    " and resid 14   and name HG12))
  OR 
   (( segid "    " and resid 14   and name HG11))
 )
      2.900     1.100     1.100 peak   118 weight  0.10000E+01 volume  0.95200E+00 ppm1      8.754 ppm2      0.894
 ASSI (
   (( segid "    " and resid 108  and name H   ))
 )(
   (( segid "    " and resid 108  and name HG  ))
  OR 
   (( segid "    " and resid 108  and name HB3 ))
 )
      2.600     0.800     0.800 peak   122 weight  0.10000E+01 volume  0.10780E+01 ppm1      8.730 ppm2      1.257
 ASSI (
   (( segid "    " and resid 108  and name H   ))
 )(
   (( segid "    " and resid 87   and name HG23))
  OR 
   (( segid "    " and resid 87   and name HG22))
  OR 
   (( segid "    " and resid 87   and name HG21))
 )
      3.200     1.300     1.300 peak   123 weight  0.10000E+01 volume  0.58900E+00 ppm1      8.729 ppm2      0.701
 ASSI (
   (( segid "    " and resid 54   and name H   ))
 )(
   (( segid "    " and resid 55   and name HB  ))
  OR 
   (( segid "    " and resid 53   and name HG3 ))
  OR 
   (( segid "    " and resid 53   and name HB2 ))
 )
      3.000     1.100     1.100 peak   130 weight  0.10000E+01 volume  0.45200E+00 ppm1      8.458 ppm2      1.937
 ASSI (
   (( segid "    " and resid 54   and name H   ))
 )(
   (( segid "    " and resid 54   and name HB  ))
  OR 
   (( segid "    " and resid 52   and name HB2 ))
 )
      2.800     1.000     1.000 peak   131 weight  0.10000E+01 volume  0.67200E+00 ppm1      8.454 ppm2      1.554
 ASSI (
   (( segid "    " and resid 92   and name H   ))
 )(
   (( segid "    " and resid 105  and name HB2 ))
  OR 
   (( segid "    " and resid 91   and name HB  ))
 )
      3.300     1.400     1.400 peak   138 weight  0.10000E+01 volume  0.24300E+00 ppm1      8.124 ppm2      1.787
 ASSI (
   (( segid "    " and resid 100  and name H   ))
 )(
   (( segid "    " and resid 100  and name HD3 ))
  OR 
   (( segid "    " and resid 100  and name HD2 ))
  OR 
   (( segid "    " and resid 99   and name HB  ))
 )
      2.900     1.100     1.100 peak   146 weight  0.10000E+01 volume  0.51600E+00 ppm1      7.739 ppm2      1.635
 ASSI (
   (( segid "    " and resid 100  and name H   ))
 )(
   (( segid "    " and resid 100  and name HG3 ))
  OR 
   (( segid "    " and resid 100  and name HG2 ))
 )
      2.600     0.800     0.800 peak   147 weight  0.10000E+01 volume  0.11140E+01 ppm1      7.744 ppm2      1.456
 ASSI (
   (( segid "    " and resid 100  and name H   ))
 )(
   (( segid "    " and resid 99   and name HG23))
  OR 
   (( segid "    " and resid 99   and name HG22))
  OR 
   (( segid "    " and resid 99   and name HG21))
 )
      2.800     1.000     1.000 peak   148 weight  0.10000E+01 volume  0.12850E+01 ppm1      7.737 ppm2      0.814
 ASSI (
   (( segid "    " and resid 94   and name H   ))
 )(
   (( segid "    " and resid 93   and name HG23))
  OR 
   (( segid "    " and resid 93   and name HG22))
  OR 
   (( segid "    " and resid 93   and name HG21))
 )
      3.300     1.400     1.400 peak   154 weight  0.10000E+01 volume  0.46000E+00 ppm1      8.210 ppm2      0.660
 ASSI (
   (( segid "    " and resid 94   and name H   ))
 )(
   (( segid "    " and resid 91   and name HG23))
  OR 
   (( segid "    " and resid 91   and name HG22))
  OR 
   (( segid "    " and resid 91   and name HG21))
  OR 
   (( segid "    " and resid 42   and name HG13))
  OR 
   (( segid "    " and resid 42   and name HG12))
  OR 
   (( segid "    " and resid 42   and name HG11))
 )
      3.500     1.500     1.500 peak   155 weight  0.10000E+01 volume  0.35100E+00 ppm1      8.214 ppm2      0.886
 ASSI (
   (( segid "    " and resid 107  and name H   ))
 )(
   (( segid "    " and resid 107  and name HA  ))
  OR 
   (( segid "    " and resid 11   and name HA  ))
 )
      2.700     0.900     0.900 peak   157 weight  0.10000E+01 volume  0.86200E+00 ppm1      7.971 ppm2      4.954
 ASSI (
   (( segid "    " and resid 107  and name H   ))
 )(
   (( segid "    " and resid 11   and name HB3 ))
  OR 
   (( segid "    " and resid 11   and name HB2 ))
 )
      3.100     1.200     1.200 peak   160 weight  0.10000E+01 volume  0.33800E+00 ppm1      7.965 ppm2      2.489
 ASSI (
   (( segid "    " and resid 55   and name H   ))
 )(
   (( segid "    " and resid 77   and name HB2 ))
  OR 
   (( segid "    " and resid 76   and name HB  ))
 )
      3.000     1.100     1.100 peak   165 weight  0.10000E+01 volume  0.41500E+00 ppm1      8.584 ppm2      1.706
 ASSI (
   (( segid "    " and resid 55   and name H   ))
 )(
   (( segid "    " and resid 55   and name HG23))
  OR 
   (( segid "    " and resid 55   and name HG22))
  OR 
   (( segid "    " and resid 55   and name HG21))
  OR 
   (( segid "    " and resid 55   and name HG13))
  OR 
   (( segid "    " and resid 55   and name HG12))
  OR 
   (( segid "    " and resid 55   and name HG11))
 )
      2.800     1.000     1.000 peak   166 weight  0.10000E+01 volume  0.11740E+01 ppm1      8.602 ppm2      0.934
 ASSI (
   (( segid "    " and resid 55   and name H   ))
 )(
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
  OR 
   (( segid "    " and resid 54   and name HG13))
  OR 
   (( segid "    " and resid 54   and name HG12))
  OR 
   (( segid "    " and resid 54   and name HG11))
 )
      2.600     0.800     0.800 peak   167 weight  0.10000E+01 volume  0.21930E+01 ppm1      8.604 ppm2      0.546
 ASSI (
   (( segid "    " and resid 59   and name H   ))
 )(
   (( segid "    " and resid 58   and name HD2 ))
  OR 
   (( segid "    " and resid 58   and name HD1 ))
 )
      2.700     0.900     0.900 peak   172 weight  0.10000E+01 volume  0.91400E+00 ppm1      8.451 ppm2      6.160
 ASSI (
   (( segid "    " and resid 59   and name H   ))
 )(
   (( segid "    " and resid 74   and name HA  ))
  OR 
   (( segid "    " and resid 57   and name HA  ))
 )
      2.900     1.100     1.100 peak   173 weight  0.10000E+01 volume  0.62100E+00 ppm1      8.457 ppm2      4.883
 ASSI (
   (( segid "    " and resid 59   and name H   ))
 )(
   (( segid "    " and resid 59   and name HG23))
  OR 
   (( segid "    " and resid 59   and name HG22))
  OR 
   (( segid "    " and resid 59   and name HG21))
 )
      3.600     1.600     1.600 peak   176 weight  0.10000E+01 volume  0.26600E+00 ppm1      8.459 ppm2      0.979
 ASSI (
   (( segid "    " and resid 47   and name H   ))
 )(
   (( segid "    " and resid 47   and name HG  ))
  OR 
   (( segid "    " and resid 38   and name HB2 ))
 )
      2.400     0.700     0.700 peak   178 weight  0.10000E+01 volume  0.15420E+01 ppm1      8.842 ppm2      1.651
 ASSI (
   (( segid "    " and resid 47   and name H   ))
 )(
   (( segid "    " and resid 46   and name HG23))
  OR 
   (( segid "    " and resid 46   and name HG22))
  OR 
   (( segid "    " and resid 46   and name HG21))
 )
      2.800     1.000     1.000 peak   179 weight  0.10000E+01 volume  0.12900E+01 ppm1      8.849 ppm2      1.124
 ASSI (
   (( segid "    " and resid 26   and name H   ))
 )(
   (( segid "    " and resid 90   and name HD21))
  OR 
   (( segid "    " and resid 73   and name HG23))
  OR 
   (( segid "    " and resid 73   and name HG22))
  OR 
   (( segid "    " and resid 73   and name HG21))
 )
      3.100     1.200     1.200 peak   180 weight  0.10000E+01 volume  0.71600E+00 ppm1      8.923 ppm2      0.641
 ASSI (
   (( segid "    " and resid 26   and name H   ))
 )(
   (( segid "    " and resid 74   and name HE2 ))
  OR 
   (( segid "    " and resid 74   and name HE1 ))
  OR 
   (( segid "    " and resid 25   and name HD2 ))
 )
      3.400     1.400     1.400 peak   185 weight  0.10000E+01 volume  0.25800E+00 ppm1      8.931 ppm2      6.910
 ASSI (
   (( segid "    " and resid 26   and name H   ))
 )(
   (( segid "    " and resid 73   and name HA  ))
  OR 
   (( segid "    " and resid 27   and name HA  ))
 )
      3.300     1.400     1.400 peak   189 weight  0.10000E+01 volume  0.27100E+00 ppm1      8.937 ppm2      4.836
 ASSI (
   (( segid "    " and resid 75   and name H   ))
  OR 
   (( segid "    " and resid 47   and name H   ))
 )(
   (( segid "    " and resid 75   and name HA  ))
  OR 
   (( segid "    " and resid 46   and name HA  ))
 )
      2.100     0.600     0.600 peak   192 weight  0.10000E+01 volume  0.40140E+01 ppm1      8.847 ppm2      4.306
 ASSI (
   (( segid "    " and resid 26   and name H   ))
 )(
   (( segid "    " and resid 74   and name HB2 ))
  OR 
   (( segid "    " and resid 25   and name HB2 ))
 )
      2.900     1.100     1.100 peak   195 weight  0.10000E+01 volume  0.51300E+00 ppm1      8.927 ppm2      2.750
 ASSI (
   (( segid "    " and resid 112  and name H   ))
 )(
   (( segid "    " and resid 112  and name HG23))
  OR 
   (( segid "    " and resid 112  and name HG22))
  OR 
   (( segid "    " and resid 112  and name HG21))
 )
      2.600     0.800     0.800 peak   196 weight  0.10000E+01 volume  0.20130E+01 ppm1      8.775 ppm2      0.881
 ASSI (
   (( segid "    " and resid 47   and name H   ))
 )(
   (( segid "    " and resid 47   and name HD23))
  OR 
   (( segid "    " and resid 47   and name HD22))
  OR 
   (( segid "    " and resid 47   and name HD21))
  OR 
   (( segid "    " and resid 47   and name HD13))
  OR 
   (( segid "    " and resid 47   and name HD12))
  OR 
   (( segid "    " and resid 47   and name HD11))
 )
      2.800     1.000     1.000 peak   197 weight  0.10000E+01 volume  0.13780E+01 ppm1      8.853 ppm2      0.847
 ASSI (
   (( segid "    " and resid 75   and name H   ))
 )(
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG21))
  OR 
   (( segid "    " and resid 75   and name HG13))
  OR 
   (( segid "    " and resid 75   and name HG12))
  OR 
   (( segid "    " and resid 75   and name HG11))
 )
      2.800     1.000     1.000 peak   198 weight  0.10000E+01 volume  0.11800E+01 ppm1      8.847 ppm2      0.539
 ASSI (
   (( segid "    " and resid 26   and name H   ))
 )(
   (( segid "    " and resid 73   and name HD13))
  OR 
   (( segid "    " and resid 73   and name HD12))
  OR 
   (( segid "    " and resid 73   and name HD11))
  OR 
   (( segid "    " and resid 26   and name HB2 ))
 )
      2.600     0.800     0.800 peak   199 weight  0.10000E+01 volume  0.11570E+01 ppm1      8.923 ppm2      0.506
 ASSI (
   (( segid "    " and resid 26   and name H   ))
 )(
   (( segid "    " and resid 26   and name HB3 ))
  OR 
   (( segid "    " and resid 24   and name HG23))
  OR 
   (( segid "    " and resid 24   and name HG21))
 )
      2.800     1.000     1.000 peak   200 weight  0.10000E+01 volume  0.65300E+00 ppm1      8.928 ppm2      0.357
 ASSI (
   (( segid "    " and resid 112  and name H   ))
  OR 
   (( segid "    " and resid 25   and name H   ))
 )(
   (( segid "    " and resid 111  and name HB2 ))
  OR 
   (( segid "    " and resid 25   and name HB2 ))
 )
      2.500     0.800     0.800 peak   204 weight  0.10000E+01 volume  0.11380E+01 ppm1      8.739 ppm2      2.749
 ASSI (
   (( segid "    " and resid 25   and name H   ))
 )(
   (( segid "    " and resid 73   and name HD13))
  OR 
   (( segid "    " and resid 73   and name HD12))
  OR 
   (( segid "    " and resid 73   and name HD11))
  OR 
   (( segid "    " and resid 26   and name HB2 ))
  OR 
   (( segid "    " and resid 24   and name HD13))
  OR 
   (( segid "    " and resid 24   and name HD12))
  OR 
   (( segid "    " and resid 24   and name HD11))
 )
      3.100     1.200     1.200 peak   205 weight  0.10000E+01 volume  0.58500E+00 ppm1      8.738 ppm2      0.514
 ASSI (
   (( segid "    " and resid 25   and name H   ))
 )(
   (( segid "    " and resid 24   and name HG23))
  OR 
   (( segid "    " and resid 24   and name HG22))
  OR 
   (( segid "    " and resid 24   and name HG21))
 )
      2.900     1.100     1.100 peak   206 weight  0.10000E+01 volume  0.11290E+01 ppm1      8.742 ppm2      0.321
 ASSI (
   (( segid "    " and resid 111  and name H   ))
 )(
   (( segid "    " and resid 112  and name HG23))
  OR 
   (( segid "    " and resid 112  and name HG22))
  OR 
   (( segid "    " and resid 112  and name HG21))
  OR 
   (( segid "    " and resid 108  and name HD23))
  OR 
   (( segid "    " and resid 108  and name HD22))
  OR 
   (( segid "    " and resid 14   and name HG23))
  OR 
   (( segid "    " and resid 14   and name HG22))
  OR 
   (( segid "    " and resid 14   and name HG21))
  OR 
   (( segid "    " and resid 14   and name HG13))
  OR 
   (( segid "    " and resid 14   and name HG12))
  OR 
   (( segid "    " and resid 14   and name HG11))
 )
      3.300     1.400     1.400 peak   214 weight  0.10000E+01 volume  0.49700E+00 ppm1      9.097 ppm2      0.887
 ASSI (
   (( segid "    " and resid 90   and name H   ))
 )(
   (( segid "    " and resid 89   and name HG2 ))
  OR 
   (( segid "    " and resid 89   and name HB2 ))
  OR 
   (( segid "    " and resid 39   and name HB  ))
  OR 
   (( segid "    " and resid 38   and name HG2 ))
 )
      2.700     0.900     0.900 peak   215 weight  0.10000E+01 volume  0.89200E+00 ppm1      9.193 ppm2      2.023
 ASSI (
   (( segid "    " and resid 110  and name H   ))
 )(
   (( segid "    " and resid 109  and name HB2 ))
  OR 
   (( segid "    " and resid 88   and name HB2 ))
 )
      3.300     1.400     1.400 peak   216 weight  0.10000E+01 volume  0.22700E+00 ppm1      9.093 ppm2      2.008
 ASSI (
   (( segid "    " and resid 90   and name H   ))
 )(
   (( segid "    " and resid 90   and name HD23))
  OR 
   (( segid "    " and resid 90   and name HD22))
  OR 
   (( segid "    " and resid 90   and name HD21))
  OR 
   (( segid "    " and resid 87   and name HG21))
 )
      3.200     1.300     1.300 peak   220 weight  0.10000E+01 volume  0.53800E+00 ppm1      9.199 ppm2      0.673
 ASSI (
   (( segid "    " and resid 90   and name H   ))
 )(
   (( segid "    " and resid 90   and name HD13))
  OR 
   (( segid "    " and resid 90   and name HD12))
  OR 
   (( segid "    " and resid 90   and name HD11))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 54   and name HG13))
  OR 
   (( segid "    " and resid 54   and name HG12))
  OR 
   (( segid "    " and resid 54   and name HG11))
  OR 
   (( segid "    " and resid 24   and name HD13))
  OR 
   (( segid "    " and resid 24   and name HD12))
  OR 
   (( segid "    " and resid 24   and name HD11))
 )
      3.100     1.200     1.200 peak   221 weight  0.10000E+01 volume  0.64700E+00 ppm1      9.184 ppm2      0.538
 ASSI (
   (( segid "    " and resid 110  and name H   ))
 )(
   (( segid "    " and resid 110  and name HD23))
  OR 
   (( segid "    " and resid 110  and name HD22))
  OR 
   (( segid "    " and resid 110  and name HD21))
  OR 
   (( segid "    " and resid 110  and name HD13))
  OR 
   (( segid "    " and resid 110  and name HD12))
  OR 
   (( segid "    " and resid 110  and name HD11))
 )
      2.900     1.100     1.100 peak   223 weight  0.10000E+01 volume  0.11270E+01 ppm1      9.087 ppm2      0.736
 ASSI (
   (( segid "    " and resid 49   and name H   ))
 )(
   (( segid "    " and resid 50   and name HA  ))
  OR 
   (( segid "    " and resid 48   and name HB3 ))
 )
      2.900     1.100     1.100 peak   227 weight  0.10000E+01 volume  0.55100E+00 ppm1      8.907 ppm2      4.052
 ASSI (
   (( segid "    " and resid 78   and name H   ))
 )(
   (( segid "    " and resid 79   and name HG3 ))
  OR 
   (( segid "    " and resid 79   and name HG2 ))
  OR 
   (( segid "    " and resid 21   and name HG23))
  OR 
   (( segid "    " and resid 21   and name HG22))
  OR 
   (( segid "    " and resid 21   and name HG21))
 )
      3.100     1.200     1.200 peak   234 weight  0.10000E+01 volume  0.62100E+00 ppm1      8.998 ppm2      1.039
 ASSI (
   (( segid "    " and resid 78   and name H   ))
 )(
   (( segid "    " and resid 78   and name HG13))
  OR 
   (( segid "    " and resid 78   and name HG12))
  OR 
   (( segid "    " and resid 78   and name HG11))
  OR 
   (( segid "    " and resid 77   and name HD13))
  OR 
   (( segid "    " and resid 77   and name HD12))
  OR 
   (( segid "    " and resid 77   and name HD11))
 )
      2.600     0.800     0.800 peak   235 weight  0.10000E+01 volume  0.22080E+01 ppm1      8.995 ppm2      0.760
 ASSI (
   (( segid "    " and resid 74   and name H   ))
 )(
   (( segid "    " and resid 73   and name HG23))
  OR 
   (( segid "    " and resid 73   and name HG22))
  OR 
   (( segid "    " and resid 73   and name HG21))
 )
      3.600     1.600     1.600 peak   243 weight  0.10000E+01 volume  0.26900E+00 ppm1      9.424 ppm2      0.662
 ASSI (
   (( segid "    " and resid 74   and name H   ))
 )(
   (( segid "    " and resid 73   and name HD13))
  OR 
   (( segid "    " and resid 73   and name HD12))
  OR 
   (( segid "    " and resid 73   and name HD11))
  OR 
   (( segid "    " and resid 26   and name HB2 ))
 )
      3.300     1.400     1.400 peak   244 weight  0.10000E+01 volume  0.42900E+00 ppm1      9.424 ppm2      0.487
 ASSI (
   (( segid "    " and resid 53   and name H   ))
  OR 
   (( segid "    " and resid 8    and name H   ))
 )(
   (( segid "    " and resid 53   and name HB3 ))
  OR 
   (( segid "    " and resid 7    and name HB  ))
 )
      2.600     0.800     0.800 peak   246 weight  0.10000E+01 volume  0.95500E+00 ppm1      8.430 ppm2      2.166
 ASSI (
   (( segid "    " and resid 53   and name H   ))
 )(
   (( segid "    " and resid 53   and name HG3 ))
  OR 
   (( segid "    " and resid 53   and name HB2 ))
 )
      2.600     0.800     0.800 peak   247 weight  0.10000E+01 volume  0.99700E+00 ppm1      8.431 ppm2      1.936
 ASSI (
   (( segid "    " and resid 53   and name H   ))
 )(
   (( segid "    " and resid 81   and name HG3 ))
  OR 
   (( segid "    " and resid 81   and name HG2 ))
  OR 
   (( segid "    " and resid 79   and name HB3 ))
  OR 
   (( segid "    " and resid 52   and name HB2 ))
 )
      2.800     1.000     1.000 peak   248 weight  0.10000E+01 volume  0.65300E+00 ppm1      8.429 ppm2      1.582
 ASSI (
   (( segid "    " and resid 53   and name H   ))
 )(
   (( segid "    " and resid 110  and name HD13))
  OR 
   (( segid "    " and resid 110  and name HD12))
  OR 
   (( segid "    " and resid 110  and name HD11))
  OR 
   (( segid "    " and resid 52   and name HD23))
  OR 
   (( segid "    " and resid 52   and name HD22))
  OR 
   (( segid "    " and resid 52   and name HD21))
  OR 
   (( segid "    " and resid 52   and name HD13))
  OR 
   (( segid "    " and resid 52   and name HD12))
  OR 
   (( segid "    " and resid 52   and name HD11))
  OR 
   (( segid "    " and resid 51   and name HD12))
  OR 
   (( segid "    " and resid 51   and name HD11))
 )
      2.900     1.100     1.100 peak   250 weight  0.10000E+01 volume  0.10310E+01 ppm1      8.424 ppm2      0.714
 ASSI (
   (( segid "    " and resid 53   and name H   ))
  OR 
   (( segid "    " and resid 8    and name H   ))
 )(
   (( segid "    " and resid 82   and name HA  ))
  OR 
   (( segid "    " and resid 49   and name HA  ))
  OR 
   (( segid "    " and resid 10   and name HA  ))
  OR 
   (( segid "    " and resid 9    and name HA  ))
 )
      3.100     1.200     1.200 peak   253 weight  0.10000E+01 volume  0.37700E+00 ppm1      8.473 ppm2      4.727
 ASSI (
   (( segid "    " and resid 8    and name H   ))
 )(
   (( segid "    " and resid 8    and name HG3 ))
  OR 
   (( segid "    " and resid 8    and name HG2 ))
 )
      3.100     1.200     1.200 peak   257 weight  0.10000E+01 volume  0.36700E+00 ppm1      8.472 ppm2      1.451
 ASSI (
   (( segid "    " and resid 38   and name H   ))
 )(
   (( segid "    " and resid 41   and name HB3 ))
  OR 
   (( segid "    " and resid 39   and name HA  ))
 )
      3.100     1.200     1.200 peak   260 weight  0.10000E+01 volume  0.37500E+00 ppm1      8.030 ppm2      3.502
 ASSI (
   (( segid "    " and resid 38   and name H   ))
 )(
   (( segid "    " and resid 42   and name HG22))
  OR 
   (( segid "    " and resid 37   and name HG23))
  OR 
   (( segid "    " and resid 37   and name HG22))
  OR 
   (( segid "    " and resid 37   and name HG21))
 )
      3.000     1.100     1.100 peak   266 weight  0.10000E+01 volume  0.83500E+00 ppm1      8.020 ppm2      1.030
 ASSI (
   (( segid "    " and resid 106  and name H   ))
  OR 
   (( segid "    " and resid 1    and name H   ))
 )(
   (( segid "    " and resid 106  and name HA  ))
  OR 
   (( segid "    " and resid 0    and name HA  ))
 )
      3.100     1.200     1.200 peak   273 weight  0.10000E+01 volume  0.37200E+00 ppm1      8.452 ppm2      4.682
 ASSI (
   (( segid "    " and resid 106  and name H   ))
  OR 
   (( segid "    " and resid 1    and name H   ))
 )(
   (( segid "    " and resid 106  and name HB3 ))
  OR 
   (( segid "    " and resid 1    and name HG3 ))
  OR 
   (( segid "    " and resid 1    and name HG2 ))
 )
      3.100     1.200     1.200 peak   274 weight  0.10000E+01 volume  0.37400E+00 ppm1      8.453 ppm2      2.541
 ASSI (
   (( segid "    " and resid 106  and name H   ))
  OR 
   (( segid "    " and resid 1    and name H   ))
 )(
   (( segid "    " and resid 105  and name HB3 ))
  OR 
   (( segid "    " and resid 1    and name HB3 ))
 )
      2.700     0.900     0.900 peak   275 weight  0.10000E+01 volume  0.73200E+00 ppm1      8.456 ppm2      2.106
 ASSI (
   (( segid "    " and resid 106  and name H   ))
 )(
   (( segid "    " and resid 105  and name HG3 ))
  OR 
   (( segid "    " and resid 105  and name HG2 ))
  OR 
   (( segid "    " and resid 105  and name HB2 ))
 )
      2.500     0.800     0.800 peak   276 weight  0.10000E+01 volume  0.11910E+01 ppm1      8.455 ppm2      1.756
 ASSI (
   (( segid "    " and resid 12   and name H   ))
 )(
   (( segid "    " and resid 108  and name HA  ))
  OR 
   (( segid "    " and resid 12   and name HA  ))
 )
      2.900     1.100     1.100 peak   283 weight  0.10000E+01 volume  0.61800E+00 ppm1      8.141 ppm2      4.704
 ASSI (
   (( segid "    " and resid 12   and name H   ))
 )(
   (( segid "    " and resid 11   and name HB3 ))
  OR 
   (( segid "    " and resid 11   and name HB2 ))
 )
      2.700     0.900     0.900 peak   284 weight  0.10000E+01 volume  0.81600E+00 ppm1      8.146 ppm2      2.461
 ASSI (
   (( segid "    " and resid 68   and name H   ))
 )(
   (( segid "    " and resid 68   and name HG23))
  OR 
   (( segid "    " and resid 68   and name HG22))
  OR 
   (( segid "    " and resid 68   and name HG21))
  OR 
   (( segid "    " and resid 68   and name HG13))
  OR 
   (( segid "    " and resid 68   and name HG12))
  OR 
   (( segid "    " and resid 68   and name HG11))
 )
      2.900     1.100     1.100 peak   290 weight  0.10000E+01 volume  0.98200E+00 ppm1      8.047 ppm2      0.952
 ASSI (
   (( segid "    " and resid 93   and name H   ))
 )(
   (( segid "    " and resid 93   and name HG23))
  OR 
   (( segid "    " and resid 93   and name HG22))
  OR 
   (( segid "    " and resid 93   and name HG21))
 )
      2.900     1.100     1.100 peak   297 weight  0.10000E+01 volume  0.10140E+01 ppm1      8.208 ppm2      0.650
 ASSI (
   (( segid "    " and resid 105  and name H   ))
 )(
   (( segid "    " and resid 104  and name HG3 ))
  OR 
   (( segid "    " and resid 104  and name HG2 ))
 )
      3.100     1.200     1.200 peak   307 weight  0.10000E+01 volume  0.37500E+00 ppm1      8.519 ppm2      2.468
 ASSI (
   (( segid "    " and resid 86   and name H   ))
  OR 
   (( segid "    " and resid 21   and name H   ))
 )(
   (( segid "    " and resid 85   and name HB3 ))
  OR 
   (( segid "    " and resid 85   and name HB2 ))
  OR 
   (( segid "    " and resid 20   and name HE2 ))
 )
      2.700     0.900     0.900 peak   309 weight  0.10000E+01 volume  0.76300E+00 ppm1      8.778 ppm2      3.030
 ASSI (
   (( segid "    " and resid 86   and name H   ))
  OR 
   (( segid "    " and resid 21   and name H   ))
 )(
   (( segid "    " and resid 52   and name HG  ))
  OR 
   (( segid "    " and resid 20   and name HD3 ))
 )
      3.200     1.300     1.300 peak   313 weight  0.10000E+01 volume  0.30200E+00 ppm1      8.800 ppm2      1.454
 ASSI (
   (( segid "    " and resid 21   and name H   ))
 )(
   (( segid "    " and resid 21   and name HG23))
  OR 
   (( segid "    " and resid 21   and name HG22))
  OR 
   (( segid "    " and resid 21   and name HG21))
 )
      3.300     1.400     1.400 peak   315 weight  0.10000E+01 volume  0.49900E+00 ppm1      8.799 ppm2      1.054
 ASSI (
   (( segid "    " and resid 27   and name H   ))
 )(
   (( segid "    " and resid 26   and name HB3 ))
  OR 
   (( segid "    " and resid 24   and name HG23))
  OR 
   (( segid "    " and resid 24   and name HG21))
 )
      2.700     0.900     0.900 peak   321 weight  0.10000E+01 volume  0.90600E+00 ppm1      8.719 ppm2      0.351
 ASSI (
   (( segid "    " and resid 27   and name H   ))
 )(
   (( segid "    " and resid 26   and name HD23))
  OR 
   (( segid "    " and resid 26   and name HD22))
  OR 
   (( segid "    " and resid 26   and name HD21))
 )
      3.200     1.300     1.300 peak   322 weight  0.10000E+01 volume  0.62400E+00 ppm1      8.719 ppm2     -0.359
 ASSI (
   (( segid "    " and resid 83   and name H   ))
  OR 
   (( segid "    " and resid 27   and name H   ))
 )(
   (( segid "    " and resid 83   and name HG2 ))
  OR 
   (( segid "    " and resid 83   and name HB3 ))
  OR 
   (( segid "    " and resid 27   and name HD3 ))
 )
      2.200     0.600     0.600 peak   324 weight  0.10000E+01 volume  0.28780E+01 ppm1      8.720 ppm2      1.742
 ASSI (
   (( segid "    " and resid 83   and name H   ))
 )(
   (( segid "    " and resid 83   and name HG3 ))
  OR 
   (( segid "    " and resid 82   and name HG3 ))
  OR 
   (( segid "    " and resid 82   and name HG2 ))
  OR 
   (( segid "    " and resid 82   and name HB3 ))
 )
      2.400     0.700     0.700 peak   325 weight  0.10000E+01 volume  0.16310E+01 ppm1      8.722 ppm2      1.515
 ASSI (
   (( segid "    " and resid 83   and name H   ))
  OR 
   (( segid "    " and resid 18   and name H   ))
 )(
   (( segid "    " and resid 83   and name HD3 ))
  OR 
   (( segid "    " and resid 83   and name HD2 ))
  OR 
   (( segid "    " and resid 18   and name HA  ))
 )
      3.100     1.200     1.200 peak   328 weight  0.10000E+01 volume  0.38500E+00 ppm1      8.724 ppm2      3.244
 ASSI (
   (( segid "    " and resid 18   and name H   ))
 )(
   (( segid "    " and resid 113  and name H   ))
  OR 
   (( segid "    " and resid 19   and name H   ))
 )
      3.400     1.400     1.400 peak   329 weight  0.10000E+01 volume  0.19700E+00 ppm1      8.700 ppm2      8.354
 ASSI (
   (( segid "    " and resid 18   and name H   ))
 )(
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 18   and name HG23))
  OR 
   (( segid "    " and resid 18   and name HG22))
  OR 
   (( segid "    " and resid 18   and name HG21))
  OR 
   (( segid "    " and resid 18   and name HG13))
  OR 
   (( segid "    " and resid 18   and name HG12))
  OR 
   (( segid "    " and resid 18   and name HG11))
 )
      2.600     0.800     0.800 peak   335 weight  0.10000E+01 volume  0.22350E+01 ppm1      8.689 ppm2      0.804
 ASSI (
   (( segid "    " and resid 14   and name H   ))
 )(
   (( segid "    " and resid 87   and name HG23))
  OR 
   (( segid "    " and resid 87   and name HG22))
  OR 
   (( segid "    " and resid 87   and name HG21))
  OR 
   (( segid "    " and resid 52   and name HD23))
  OR 
   (( segid "    " and resid 52   and name HD22))
  OR 
   (( segid "    " and resid 52   and name HD21))
  OR 
   (( segid "    " and resid 52   and name HD13))
  OR 
   (( segid "    " and resid 52   and name HD12))
  OR 
   (( segid "    " and resid 52   and name HD11))
 )
      3.700     1.700     1.700 peak   337 weight  0.10000E+01 volume  0.23400E+00 ppm1      8.825 ppm2      0.699
 ASSI (
   (( segid "    " and resid 14   and name H   ))
 )(
   (( segid "    " and resid 109  and name HA  ))
  OR 
   (( segid "    " and resid 14   and name HA  ))
 )
      3.100     1.200     1.200 peak   341 weight  0.10000E+01 volume  0.37400E+00 ppm1      8.825 ppm2      4.568
 ASSI (
   (( segid "    " and resid 14   and name H   ))
 )(
   (( segid "    " and resid 109  and name HB2 ))
  OR 
   (( segid "    " and resid 14   and name HB  ))
 )
      2.700     0.900     0.900 peak   343 weight  0.10000E+01 volume  0.88500E+00 ppm1      8.828 ppm2      2.023
 ASSI (
   (( segid "    " and resid 14   and name H   ))
 )(
   (( segid "    " and resid 108  and name HD23))
  OR 
   (( segid "    " and resid 108  and name HD22))
  OR 
   (( segid "    " and resid 14   and name HG23))
  OR 
   (( segid "    " and resid 14   and name HG22))
  OR 
   (( segid "    " and resid 14   and name HG21))
  OR 
   (( segid "    " and resid 14   and name HG13))
  OR 
   (( segid "    " and resid 14   and name HG12))
  OR 
   (( segid "    " and resid 14   and name HG11))
 )
      3.000     1.100     1.100 peak   344 weight  0.10000E+01 volume  0.89600E+00 ppm1      8.830 ppm2      0.892
 ASSI (
   (( segid "    " and resid 41   and name H   ))
 )(
   (( segid "    " and resid 41   and name HD2 ))
  OR 
   (( segid "    " and resid 41   and name HD1 ))
 )
      2.700     0.900     0.900 peak   349 weight  0.10000E+01 volume  0.90500E+00 ppm1      8.622 ppm2      7.243
 ASSI (
   (( segid "    " and resid 41   and name H   ))
 )(
   (( segid "    " and resid 41   and name HB3 ))
  OR 
   (( segid "    " and resid 39   and name HA  ))
 )
      2.800     1.000     1.000 peak   352 weight  0.10000E+01 volume  0.71200E+00 ppm1      8.627 ppm2      3.463
 ASSI (
   (( segid "    " and resid 41   and name H   ))
 )(
   (( segid "    " and resid 42   and name HG23))
  OR 
   (( segid "    " and resid 42   and name HG22))
  OR 
   (( segid "    " and resid 42   and name HG21))
  OR 
   (( segid "    " and resid 37   and name HG23))
  OR 
   (( segid "    " and resid 37   and name HG22))
  OR 
   (( segid "    " and resid 37   and name HG21))
 )
      3.100     1.200     1.200 peak   354 weight  0.10000E+01 volume  0.71100E+00 ppm1      8.629 ppm2      1.008
 ASSI (
   (( segid "    " and resid 41   and name H   ))
 )(
   (( segid "    " and resid 99   and name HD13))
  OR 
   (( segid "    " and resid 99   and name HD12))
  OR 
   (( segid "    " and resid 99   and name HD11))
  OR 
   (( segid "    " and resid 47   and name HD13))
  OR 
   (( segid "    " and resid 47   and name HD12))
  OR 
   (( segid "    " and resid 47   and name HD11))
  OR 
   (( segid "    " and resid 39   and name HG23))
  OR 
   (( segid "    " and resid 39   and name HG22))
  OR 
   (( segid "    " and resid 39   and name HG21))
 )
      3.100     1.200     1.200 peak   355 weight  0.10000E+01 volume  0.72300E+00 ppm1      8.632 ppm2      0.906
 ASSI (
   (( segid "    " and resid 41   and name H   ))
 )(
   (( segid "    " and resid 42   and name HB  ))
  OR 
   (( segid "    " and resid 39   and name HB  ))
 )
      3.200     1.300     1.300 peak   358 weight  0.10000E+01 volume  0.28400E+00 ppm1      8.635 ppm2      2.029
 ASSI (
   (( segid "    " and resid 61   and name H   ))
 )(
   (( segid "    " and resid 60   and name HB3 ))
  OR 
   (( segid "    " and resid 30   and name HB3 ))
 )
      3.100     1.200     1.200 peak   361 weight  0.10000E+01 volume  0.36200E+00 ppm1      8.596 ppm2      2.307
 ASSI (
   (( segid "    " and resid 61   and name H   ))
 )(
   (( segid "    " and resid 61   and name HG23))
  OR 
   (( segid "    " and resid 61   and name HG22))
  OR 
   (( segid "    " and resid 61   and name HG21))
 )
      3.800     1.800     1.800 peak   362 weight  0.10000E+01 volume  0.22200E+00 ppm1      8.598 ppm2      1.185
 ASSI (
   (( segid "    " and resid 42   and name H   ))
 )(
   (( segid "    " and resid 99   and name HG23))
  OR 
   (( segid "    " and resid 47   and name HD13))
  OR 
   (( segid "    " and resid 47   and name HD12))
  OR 
   (( segid "    " and resid 47   and name HD11))
  OR 
   (( segid "    " and resid 42   and name HG13))
  OR 
   (( segid "    " and resid 42   and name HG12))
  OR 
   (( segid "    " and resid 42   and name HG11))
 )
      3.200     1.300     1.300 peak   373 weight  0.10000E+01 volume  0.55500E+00 ppm1      7.790 ppm2      0.848
 ASSI (
   (( segid "    " and resid 103  and name H   ))
 )(
   (( segid "    " and resid 102  and name HA  ))
  OR 
   (( segid "    " and resid 101  and name HA  ))
 )
      3.000     1.100     1.100 peak   377 weight  0.10000E+01 volume  0.44900E+00 ppm1      7.780 ppm2      4.213
 ASSI (
   (( segid "    " and resid 103  and name H   ))
 )(
   (( segid "    " and resid 102  and name HG3 ))
  OR 
   (( segid "    " and resid 102  and name HG2 ))
 )
      2.900     1.100     1.100 peak   380 weight  0.10000E+01 volume  0.48000E+00 ppm1      7.776 ppm2      2.316
 ASSI (
   (( segid "    " and resid 103  and name H   ))
 )(
   (( segid "    " and resid 102  and name HB3 ))
  OR 
   (( segid "    " and resid 102  and name HB2 ))
  OR 
   (( segid "    " and resid 100  and name HB2 ))
 )
      2.800     1.000     1.000 peak   381 weight  0.10000E+01 volume  0.69700E+00 ppm1      7.780 ppm2      2.051
 ASSI (
   (( segid "    " and resid 20   and name H   ))
 )(
   (( segid "    " and resid 80   and name HD2 ))
  OR 
   (( segid "    " and resid 20   and name HA  ))
 )
      2.600     0.800     0.800 peak   384 weight  0.10000E+01 volume  0.11030E+01 ppm1      7.623 ppm2      4.503
 ASSI (
   (( segid "    " and resid 20   and name H   ))
 )(
   (( segid "    " and resid 83   and name HG3 ))
  OR 
   (( segid "    " and resid 79   and name HD3 ))
  OR 
   (( segid "    " and resid 79   and name HD2 ))
  OR 
   (( segid "    " and resid 52   and name HG  ))
  OR 
   (( segid "    " and resid 20   and name HD3 ))
 )
      2.900     1.100     1.100 peak   390 weight  0.10000E+01 volume  0.50000E+00 ppm1      7.619 ppm2      1.478
 ASSI (
   (( segid "    " and resid 46   and name H   ))
 )(
   (( segid "    " and resid 45   and name HA  ))
  OR 
   (( segid "    " and resid 44   and name HA  ))
 )
      2.600     0.800     0.800 peak   397 weight  0.10000E+01 volume  0.97600E+00 ppm1      7.630 ppm2      4.625
 ASSI (
   (( segid "    " and resid 97   and name H   ))
 )(
   (( segid "    " and resid 97   and name HG3 ))
  OR 
   (( segid "    " and resid 97   and name HG2 ))
  OR 
   (( segid "    " and resid 95   and name HB3 ))
 )
      2.500     0.800     0.800 peak   408 weight  0.10000E+01 volume  0.13180E+01 ppm1      7.055 ppm2      2.073
 ASSI (
   (( segid "    " and resid 36   and name H   ))
 )(
   (( segid "    " and resid 74   and name HE2 ))
  OR 
   (( segid "    " and resid 74   and name HE1 ))
 )
      3.200     1.300     1.300 peak   410 weight  0.10000E+01 volume  0.36800E+00 ppm1      5.829 ppm2      6.942
 ASSI (
   (( segid "    " and resid 36   and name H   ))
 )(
   (( segid "    " and resid 35   and name HG2 ))
  OR 
   (( segid "    " and resid 35   and name HB3 ))
 )
      2.900     1.100     1.100 peak   416 weight  0.10000E+01 volume  0.54800E+00 ppm1      5.821 ppm2      2.168
 ASSI (
   (( segid "    " and resid 73   and name H   ))
 )(
   (( segid "    " and resid 72   and name HA3 ))
  OR 
   (( segid "    " and resid 71   and name HA2 ))
 )
      2.400     0.700     0.700 peak   421 weight  0.10000E+01 volume  0.16530E+01 ppm1      7.768 ppm2      4.098
 ASSI (
   (( segid "    " and resid 82   and name H   ))
 )(
   (( segid "    " and resid 82   and name HB2 ))
  OR 
   (( segid "    " and resid 81   and name HB3 ))
  OR 
   (( segid "    " and resid 80   and name HB2 ))
 )
      2.600     0.800     0.800 peak   429 weight  0.10000E+01 volume  0.94100E+00 ppm1      7.410 ppm2      1.972
 ASSI (
   (( segid "    " and resid 82   and name H   ))
 )(
   (( segid "    " and resid 82   and name HD2 ))
  OR 
   (( segid "    " and resid 81   and name HB2 ))
 )
      2.800     1.000     1.000 peak   430 weight  0.10000E+01 volume  0.71200E+00 ppm1      7.403 ppm2      1.711
 ASSI (
   (( segid "    " and resid 82   and name H   ))
 )(
   (( segid "    " and resid 82   and name HG3 ))
  OR 
   (( segid "    " and resid 82   and name HG2 ))
  OR 
   (( segid "    " and resid 82   and name HB3 ))
 )
      2.600     0.800     0.800 peak   431 weight  0.10000E+01 volume  0.98700E+00 ppm1      7.408 ppm2      1.513
 ASSI (
   (( segid "    " and resid 82   and name H   ))
 )(
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 18   and name HG23))
  OR 
   (( segid "    " and resid 18   and name HG22))
  OR 
   (( segid "    " and resid 18   and name HG21))
  OR 
   (( segid "    " and resid 18   and name HG13))
  OR 
   (( segid "    " and resid 18   and name HG12))
  OR 
   (( segid "    " and resid 18   and name HG11))
 )
      2.900     1.100     1.100 peak   432 weight  0.10000E+01 volume  0.99600E+00 ppm1      7.400 ppm2      0.804
 ASSI (
   (( segid "    " and resid 51   and name H   ))
 )(
   (( segid "    " and resid 81   and name HB3 ))
  OR 
   (( segid "    " and resid 50   and name HB3 ))
  OR 
   (( segid "    " and resid 50   and name HB2 ))
 )
      3.000     1.100     1.100 peak   437 weight  0.10000E+01 volume  0.41200E+00 ppm1      7.590 ppm2      2.011
 ASSI (
   (( segid "    " and resid 51   and name H   ))
 )(
   (( segid "    " and resid 82   and name HG3 ))
  OR 
   (( segid "    " and resid 82   and name HG2 ))
  OR 
   (( segid "    " and resid 82   and name HB3 ))
  OR 
   (( segid "    " and resid 51   and name HG13))
 )
      2.600     0.800     0.800 peak   439 weight  0.10000E+01 volume  0.10490E+01 ppm1      7.584 ppm2      1.493
 ASSI (
   (( segid "    " and resid 105  and name HE  ))
 )(
   (( segid "    " and resid 13   and name HZ2 ))
  OR 
   (( segid "    " and resid 10   and name HD22))
 )
      2.800     1.000     1.000 peak   443 weight  0.10000E+01 volume  0.67900E+00 ppm1      7.185 ppm2      6.974
 ASSI (
   (( segid "    " and resid 105  and name HE  ))
 )(
   (( segid "    " and resid 105  and name HG3 ))
  OR 
   (( segid "    " and resid 105  and name HG2 ))
  OR 
   (( segid "    " and resid 105  and name HB2 ))
 )
      2.600     0.800     0.800 peak   446 weight  0.10000E+01 volume  0.95200E+00 ppm1      7.183 ppm2      1.757
 ASSI (
   (( segid "    " and resid 38   and name HE  ))
 )(
   (( segid "    " and resid 88   and name HD23))
  OR 
   (( segid "    " and resid 88   and name HD22))
  OR 
   (( segid "    " and resid 88   and name HD21))
  OR 
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
  OR 
   (( segid "    " and resid 78   and name HG11))
  OR 
   (( segid "    " and resid 51   and name HD13))
  OR 
   (( segid "    " and resid 51   and name HD12))
  OR 
   (( segid "    " and resid 51   and name HD11))
 )
      3.300     1.400     1.400 peak   457 weight  0.10000E+01 volume  0.52000E+00 ppm1      7.453 ppm2      0.777
 ASSI (
   (( segid "    " and resid 48   and name H   ))
 )(
   (( segid "    " and resid 47   and name HA  ))
  OR 
   (( segid "    " and resid 46   and name HA  ))
 )
      2.900     1.100     1.100 peak   466 weight  0.10000E+01 volume  0.52800E+00 ppm1      6.726 ppm2      4.273
 ASSI (
   (( segid "    " and resid 48   and name H   ))
 )(
   (( segid "    " and resid 52   and name HB3 ))
  OR 
   (( segid "    " and resid 47   and name HD23))
  OR 
   (( segid "    " and resid 47   and name HD22))
  OR 
   (( segid "    " and resid 47   and name HD21))
  OR 
   (( segid "    " and resid 47   and name HD13))
  OR 
   (( segid "    " and resid 47   and name HD12))
  OR 
   (( segid "    " and resid 47   and name HD11))
 )
      3.800     1.800     1.800 peak   469 weight  0.10000E+01 volume  0.19100E+00 ppm1      6.729 ppm2      0.878
 ASSI (
   (( segid "    " and resid 48   and name H   ))
 )(
   (( segid "    " and resid 47   and name HG  ))
  OR 
   (( segid "    " and resid 38   and name HB2 ))
 )
      3.400     1.400     1.400 peak   471 weight  0.10000E+01 volume  0.20500E+00 ppm1      6.741 ppm2      1.686
 ASSI (
   (( segid "    " and resid 96   and name H   ))
  OR 
   (( segid "    " and resid 29   and name HD21))
 )(
   (( segid "    " and resid 96   and name HA  ))
  OR 
   (( segid "    " and resid 32   and name HA  ))
 )
      2.600     0.800     0.800 peak   474 weight  0.10000E+01 volume  0.12160E+01 ppm1      7.810 ppm2      4.362
 ASSI (
   (( segid "    " and resid 96   and name H   ))
  OR 
   (( segid "    " and resid 29   and name HD21))
 )(
   (( segid "    " and resid 96   and name HB3 ))
  OR 
   (( segid "    " and resid 29   and name HB2 ))
 )
      2.200     0.600     0.600 peak   477 weight  0.10000E+01 volume  0.26020E+01 ppm1      7.808 ppm2      3.013
 ASSI (
   (( segid "    " and resid 96   and name H   ))
 )(
   (( segid "    " and resid 97   and name HG3 ))
  OR 
   (( segid "    " and resid 97   and name HG2 ))
  OR 
   (( segid "    " and resid 95   and name HG3 ))
  OR 
   (( segid "    " and resid 95   and name HB3 ))
 )
      2.800     1.000     1.000 peak   478 weight  0.10000E+01 volume  0.68200E+00 ppm1      7.811 ppm2      2.111
 ASSI (
   (( segid "    " and resid 96   and name H   ))
 )(
   (( segid "    " and resid 97   and name HB3 ))
  OR 
   (( segid "    " and resid 97   and name HB2 ))
  OR 
   (( segid "    " and resid 95   and name HG2 ))
 )
      3.000     1.100     1.100 peak   480 weight  0.10000E+01 volume  0.41300E+00 ppm1      7.799 ppm2      1.710
 ASSI (
   (( segid "    " and resid 31   and name H   ))
 )(
   (( segid "    " and resid 32   and name H   ))
  OR 
   (( segid "    " and resid 29   and name HD21))
 )
      2.500     0.800     0.800 peak   481 weight  0.10000E+01 volume  0.11740E+01 ppm1      8.005 ppm2      7.793
 ASSI (
   (( segid "    " and resid 31   and name H   ))
 )(
   (( segid "    " and resid 31   and name HG23))
  OR 
   (( segid "    " and resid 31   and name HG22))
  OR 
   (( segid "    " and resid 31   and name HG21))
  OR 
   (( segid "    " and resid 30   and name HG2 ))
 )
      2.700     0.900     0.900 peak   485 weight  0.10000E+01 volume  0.15740E+01 ppm1      8.007 ppm2      1.317
 ASSI (
   (( segid "    " and resid 35   and name H   ))
  OR 
   (( segid "    " and resid 29   and name H   ))
 )(
   (( segid "    " and resid 104  and name HG2 ))
  OR 
   (( segid "    " and resid 74   and name HB3 ))
  OR 
   (( segid "    " and resid 35   and name HG3 ))
 )
      2.900     1.100     1.100 peak   489 weight  0.10000E+01 volume  0.52600E+00 ppm1      8.297 ppm2      2.418
 ASSI (
   (( segid "    " and resid 32   and name H   ))
 )(
   (( segid "    " and resid 33   and name HA3 ))
  OR 
   (( segid "    " and resid 31   and name HA  ))
 )
      2.900     1.100     1.100 peak   497 weight  0.10000E+01 volume  0.59000E+00 ppm1      7.781 ppm2      4.202
 ASSI (
   (( segid "    " and resid 32   and name H   ))
 )(
   (( segid "    " and resid 32   and name HG23))
  OR 
   (( segid "    " and resid 32   and name HG22))
  OR 
   (( segid "    " and resid 32   and name HG21))
 )
      2.800     1.000     1.000 peak   498 weight  0.10000E+01 volume  0.13340E+01 ppm1      7.782 ppm2      1.397
 ASSI (
   (( segid "    " and resid 72   and name H   ))
 )(
   (( segid "    " and resid 58   and name HE2 ))
  OR 
   (( segid "    " and resid 58   and name HE1 ))
 )
      3.300     1.400     1.400 peak   505 weight  0.10000E+01 volume  0.28300E+00 ppm1      8.274 ppm2      6.462
 ASSI (
   (( segid "    " and resid 72   and name H   ))
 )(
   (( segid "    " and resid 72   and name HA3 ))
  OR 
   (( segid "    " and resid 71   and name HA3 ))
  OR 
   (( segid "    " and resid 71   and name HA2 ))
 )
      2.100     0.600     0.600 peak   506 weight  0.10000E+01 volume  0.38260E+01 ppm1      8.273 ppm2      4.126
 ASSI (
   (( segid "    " and resid 72   and name H   ))
 )(
   (( segid "    " and resid 71   and name H   ))
  OR 
   (( segid "    " and resid 61   and name H   ))
 )
      3.000     1.100     1.100 peak   507 weight  0.10000E+01 volume  0.40200E+00 ppm1      8.276 ppm2      8.592
 ASSI (
   (( segid "    " and resid 98   and name H   ))
 )(
   (( segid "    " and resid 97   and name HG3 ))
  OR 
   (( segid "    " and resid 97   and name HG2 ))
  OR 
   (( segid "    " and resid 95   and name HB3 ))
  OR 
   (( segid "    " and resid 42   and name HB  ))
 )
      3.200     1.300     1.300 peak   513 weight  0.10000E+01 volume  0.29900E+00 ppm1      7.384 ppm2      2.073
 ASSI (
   (( segid "    " and resid 65   and name H   ))
 )(
   (( segid "    " and resid 64   and name HB2 ))
  OR 
   (( segid "    " and resid 63   and name HB3 ))
 )
      3.000     1.100     1.100 peak   525 weight  0.10000E+01 volume  0.43700E+00 ppm1      7.935 ppm2      3.961
 ASSI (
   (( segid "    " and resid 99   and name H   ))
 )(
   (( segid "    " and resid 99   and name HG12))
  OR 
   (( segid "    " and resid 42   and name HG23))
  OR 
   (( segid "    " and resid 42   and name HG22))
 )
      2.700     0.900     0.900 peak   531 weight  0.10000E+01 volume  0.76200E+00 ppm1      7.989 ppm2      1.000
 ASSI (
   (( segid "    " and resid 99   and name H   ))
 )(
   (( segid "    " and resid 99   and name HG23))
  OR 
   (( segid "    " and resid 99   and name HG22))
  OR 
   (( segid "    " and resid 99   and name HG21))
  OR 
   (( segid "    " and resid 42   and name HG11))
 )
      3.100     1.200     1.200 peak   532 weight  0.10000E+01 volume  0.76200E+00 ppm1      7.992 ppm2      0.821
 ASSI (
   (( segid "    " and resid 69   and name H   ))
 )(
   (( segid "    " and resid 70   and name HG23))
  OR 
   (( segid "    " and resid 70   and name HG22))
  OR 
   (( segid "    " and resid 70   and name HG21))
  OR 
   (( segid "    " and resid 70   and name HG13))
  OR 
   (( segid "    " and resid 68   and name HG23))
  OR 
   (( segid "    " and resid 68   and name HG22))
  OR 
   (( segid "    " and resid 68   and name HG21))
  OR 
   (( segid "    " and resid 68   and name HG13))
  OR 
   (( segid "    " and resid 68   and name HG12))
  OR 
   (( segid "    " and resid 68   and name HG11))
 )
      2.900     1.100     1.100 peak   547 weight  0.10000E+01 volume  0.10260E+01 ppm1      8.525 ppm2      0.954
 ASSI (
   (( segid "    " and resid 19   and name H   ))
 )(
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 18   and name HG23))
  OR 
   (( segid "    " and resid 18   and name HG22))
  OR 
   (( segid "    " and resid 18   and name HG21))
  OR 
   (( segid "    " and resid 18   and name HG13))
  OR 
   (( segid "    " and resid 18   and name HG12))
  OR 
   (( segid "    " and resid 18   and name HG11))
 )
      2.700     0.900     0.900 peak   548 weight  0.10000E+01 volume  0.15320E+01 ppm1      8.373 ppm2      0.813
 ASSI (
   (( segid "    " and resid 28   and name H   ))
 )(
   (( segid "    " and resid 28   and name HA3 ))
  OR 
   (( segid "    " and resid 28   and name HA2 ))
 )
      2.300     0.700     0.700 peak   558 weight  0.10000E+01 volume  0.20480E+01 ppm1      8.356 ppm2      4.229
 ASSI (
   (( segid "    " and resid 113  and name H   ))
 )(
   (( segid "    " and resid 113  and name HG3 ))
  OR 
   (( segid "    " and resid 113  and name HG2 ))
 )
      2.900     1.100     1.100 peak   566 weight  0.10000E+01 volume  0.52300E+00 ppm1      8.350 ppm2      1.325
 ASSI (
   (( segid "    " and resid 113  and name H   ))
 )(
   (( segid "    " and resid 16   and name HG23))
  OR 
   (( segid "    " and resid 16   and name HG22))
  OR 
   (( segid "    " and resid 16   and name HG21))
 )
      3.300     1.400     1.400 peak   567 weight  0.10000E+01 volume  0.45700E+00 ppm1      8.348 ppm2      1.105
 ASSI (
   (( segid "    " and resid 113  and name H   ))
 )(
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 18   and name HG23))
  OR 
   (( segid "    " and resid 18   and name HG22))
 )
      3.000     1.100     1.100 peak   568 weight  0.10000E+01 volume  0.93900E+00 ppm1      8.353 ppm2      0.822
 ASSI (
   (( segid "    " and resid 70   and name H   ))
 )(
   (( segid "    " and resid 71   and name H   ))
  OR 
   (( segid "    " and resid 69   and name H   ))
 )
      2.600     0.800     0.800 peak   572 weight  0.10000E+01 volume  0.10290E+01 ppm1      8.022 ppm2      8.555
 ASSI (
   (( segid "    " and resid 67   and name H   ))
 )(
   (( segid "    " and resid 68   and name HB  ))
  OR 
   (( segid "    " and resid 66   and name HG2 ))
 )
      2.500     0.800     0.800 peak   577 weight  0.10000E+01 volume  0.14170E+01 ppm1      8.333 ppm2      2.053
 ASSI (
   (( segid "    " and resid 52   and name H   ))
 )(
   (( segid "    " and resid 82   and name HB3 ))
  OR 
   (( segid "    " and resid 52   and name HG  ))
  OR 
   (( segid "    " and resid 51   and name HG13))
 )
      2.400     0.700     0.700 peak   580 weight  0.10000E+01 volume  0.16630E+01 ppm1      8.282 ppm2      1.478
 ASSI (
   (( segid "    " and resid 52   and name H   ))
 )(
   (( segid "    " and resid 52   and name HD23))
  OR 
   (( segid "    " and resid 52   and name HD22))
  OR 
   (( segid "    " and resid 52   and name HD21))
  OR 
   (( segid "    " and resid 52   and name HD13))
  OR 
   (( segid "    " and resid 52   and name HD12))
  OR 
   (( segid "    " and resid 52   and name HD11))
 )
      3.000     1.100     1.100 peak   582 weight  0.10000E+01 volume  0.80700E+00 ppm1      8.286 ppm2      0.696
 ASSI (
   (( segid "    " and resid 85   and name H   ))
 )(
   (( segid "    " and resid 112  and name H   ))
  OR 
   (( segid "    " and resid 86   and name H   ))
 )
      3.100     1.200     1.200 peak   585 weight  0.10000E+01 volume  0.37600E+00 ppm1      8.288 ppm2      8.773
 ASSI (
   (( segid "    " and resid 10   and name H   ))
 )(
   (( segid "    " and resid 10   and name HA  ))
  OR 
   (( segid "    " and resid 9    and name HA  ))
 )
      2.300     0.700     0.700 peak   591 weight  0.10000E+01 volume  0.21130E+01 ppm1      8.220 ppm2      4.723
 ASSI (
   (( segid "    " and resid 10   and name H   ))
 )(
   (( segid "    " and resid 106  and name HB2 ))
  OR 
   (( segid "    " and resid 9    and name HB3 ))
 )
      3.000     1.100     1.100 peak   598 weight  0.10000E+01 volume  0.39900E+00 ppm1      8.220 ppm2      2.704
 ASSI (
   (( segid "    " and resid 64   and name H   ))
 )(
   (( segid "    " and resid 64   and name HB2 ))
  OR 
   (( segid "    " and resid 63   and name HB3 ))
 )
      2.600     0.800     0.800 peak   604 weight  0.10000E+01 volume  0.99800E+00 ppm1      8.513 ppm2      3.959
 ASSI (
   (( segid "    " and resid 63   and name H   ))
 )(
   (( segid "    " and resid 62   and name HG3 ))
  OR 
   (( segid "    " and resid 62   and name HB2 ))
 )
      3.200     1.300     1.300 peak   605 weight  0.10000E+01 volume  0.29000E+00 ppm1      8.379 ppm2      1.916
 ASSI (
   (( segid "    " and resid 63   and name H   ))
 )(
   (( segid "    " and resid 63   and name HB2 ))
  OR 
   (( segid "    " and resid 62   and name HD3 ))
 )
      2.700     0.900     0.900 peak   609 weight  0.10000E+01 volume  0.74100E+00 ppm1      8.391 ppm2      3.818
 ASSI (
   (( segid "    " and resid 40   and name H   ))
 )(
   (( segid "    " and resid 99   and name HD13))
  OR 
   (( segid "    " and resid 99   and name HD12))
  OR 
   (( segid "    " and resid 99   and name HD11))
  OR 
   (( segid "    " and resid 39   and name HG13))
  OR 
   (( segid "    " and resid 39   and name HG12))
 )
      2.600     0.800     0.800 peak   614 weight  0.10000E+01 volume  0.22350E+01 ppm1      8.403 ppm2      0.957
 ASSI (
   (( segid "    " and resid 16   and name H   ))
 )(
   (( segid "    " and resid 111  and name HB3 ))
  OR 
   (( segid "    " and resid 17   and name HB2 ))
 )
      3.200     1.300     1.300 peak   632 weight  0.10000E+01 volume  0.31000E+00 ppm1      8.878 ppm2      3.376
 ASSI (
   (( segid "    " and resid 17   and name H   ))
 )(
   (( segid "    " and resid 20   and name HG3 ))
  OR 
   (( segid "    " and resid 20   and name HG2 ))
  OR 
   (( segid "    " and resid 20   and name HB3 ))
 )
      2.600     0.800     0.800 peak   637 weight  0.10000E+01 volume  0.94600E+00 ppm1      8.817 ppm2      1.676
 ASSI (
   (( segid "    " and resid 16   and name H   ))
 )(
   (( segid "    " and resid 16   and name HG23))
  OR 
   (( segid "    " and resid 16   and name HG22))
  OR 
   (( segid "    " and resid 16   and name HG21))
 )
      2.700     0.900     0.900 peak   638 weight  0.10000E+01 volume  0.15090E+01 ppm1      8.870 ppm2      1.089
 ASSI (
   (( segid "    " and resid 17   and name H   ))
 )(
   (( segid "    " and resid 16   and name HG23))
  OR 
   (( segid "    " and resid 16   and name HG22))
  OR 
   (( segid "    " and resid 16   and name HG21))
 )
      2.900     1.100     1.100 peak   639 weight  0.10000E+01 volume  0.10820E+01 ppm1      8.820 ppm2      1.087
 ASSI (
   (( segid "    " and resid 16   and name H   ))
 )(
   (( segid "    " and resid 112  and name HG23))
  OR 
   (( segid "    " and resid 112  and name HG22))
  OR 
   (( segid "    " and resid 112  and name HG21))
  OR 
   (( segid "    " and resid 14   and name HG23))
  OR 
   (( segid "    " and resid 14   and name HG22))
  OR 
   (( segid "    " and resid 14   and name HG21))
  OR 
   (( segid "    " and resid 14   and name HG13))
  OR 
   (( segid "    " and resid 14   and name HG12))
  OR 
   (( segid "    " and resid 14   and name HG11))
 )
      3.500     1.500     1.500 peak   640 weight  0.10000E+01 volume  0.31600E+00 ppm1      8.878 ppm2      0.869
 ASSI (
   (( segid "    " and resid 81   and name H   ))
 )(
   (( segid "    " and resid 80   and name HB3 ))
  OR 
   (( segid "    " and resid 53   and name HB3 ))
 )
      3.200     1.300     1.300 peak   645 weight  0.10000E+01 volume  0.27600E+00 ppm1      8.963 ppm2      2.182
 ASSI (
   (( segid "    " and resid 81   and name H   ))
 )(
   (( segid "    " and resid 82   and name HB2 ))
  OR 
   (( segid "    " and resid 81   and name HB3 ))
  OR 
   (( segid "    " and resid 80   and name HB2 ))
 )
      2.900     1.100     1.100 peak   646 weight  0.10000E+01 volume  0.56100E+00 ppm1      8.973 ppm2      1.988
 ASSI (
   (( segid "    " and resid 81   and name H   ))
 )(
   (( segid "    " and resid 81   and name HG3 ))
  OR 
   (( segid "    " and resid 81   and name HG2 ))
  OR 
   (( segid "    " and resid 52   and name HB2 ))
 )
      2.500     0.800     0.800 peak   648 weight  0.10000E+01 volume  0.12880E+01 ppm1      8.978 ppm2      1.556
 ASSI (
   (( segid "    " and resid 81   and name H   ))
 )(
   (( segid "    " and resid 52   and name HD23))
  OR 
   (( segid "    " and resid 52   and name HD22))
  OR 
   (( segid "    " and resid 52   and name HD13))
  OR 
   (( segid "    " and resid 52   and name HD12))
  OR 
   (( segid "    " and resid 52   and name HD11))
 )
      3.100     1.200     1.200 peak   649 weight  0.10000E+01 volume  0.76500E+00 ppm1      8.975 ppm2      0.701
 ASSI (
   (( segid "    " and resid 43   and name H   ))
 )(
   (( segid "    " and resid 43   and name HA3 ))
  OR 
   (( segid "    " and resid 42   and name HA  ))
 )
      2.100     0.600     0.600 peak   653 weight  0.10000E+01 volume  0.35570E+01 ppm1      8.873 ppm2      3.712
 ASSI (
   (( segid "    " and resid 43   and name H   ))
 )(
   (( segid "    " and resid 42   and name HG23))
  OR 
   (( segid "    " and resid 42   and name HG22))
  OR 
   (( segid "    " and resid 42   and name HG21))
  OR 
   (( segid "    " and resid 37   and name HG23))
  OR 
   (( segid "    " and resid 37   and name HG22))
  OR 
   (( segid "    " and resid 37   and name HG21))
 )
      3.100     1.200     1.200 peak   654 weight  0.10000E+01 volume  0.69900E+00 ppm1      8.873 ppm2      1.024
 ASSI (
   (( segid "    " and resid 43   and name H   ))
 )(
   (( segid "    " and resid 47   and name HD13))
  OR 
   (( segid "    " and resid 47   and name HD11))
  OR 
   (( segid "    " and resid 42   and name HG13))
  OR 
   (( segid "    " and resid 42   and name HG12))
  OR 
   (( segid "    " and resid 42   and name HG11))
 )
      3.000     1.100     1.100 peak   655 weight  0.10000E+01 volume  0.93800E+00 ppm1      8.875 ppm2      0.852
 ASSI (
   (( segid "    " and resid 37   and name H   ))
 )(
   (( segid "    " and resid 37   and name HG23))
  OR 
   (( segid "    " and resid 37   and name HG22))
  OR 
   (( segid "    " and resid 37   and name HG21))
 )
      2.800     1.000     1.000 peak   662 weight  0.10000E+01 volume  0.12090E+01 ppm1      9.105 ppm2      1.022
 ASSI (
   (( segid "    " and resid 87   and name H   ))
 )(
   (( segid "    " and resid 87   and name HG23))
  OR 
   (( segid "    " and resid 87   and name HG22))
  OR 
   (( segid "    " and resid 87   and name HG21))
  OR 
   (( segid "    " and resid 52   and name HD23))
  OR 
   (( segid "    " and resid 52   and name HD22))
  OR 
   (( segid "    " and resid 52   and name HD21))
  OR 
   (( segid "    " and resid 52   and name HD12))
  OR 
   (( segid "    " and resid 52   and name HD11))
 )
      3.200     1.300     1.300 peak   670 weight  0.10000E+01 volume  0.57900E+00 ppm1      9.199 ppm2      0.677
 ASSI (
   (( segid "    " and resid 91   and name H   ))
 )(
   (( segid "    " and resid 91   and name HB  ))
  OR 
   (( segid "    " and resid 90   and name HB2 ))
 )
      2.800     1.000     1.000 peak   673 weight  0.10000E+01 volume  0.59700E+00 ppm1      9.412 ppm2      1.769
 ASSI (
   (( segid "    " and resid 91   and name H   ))
 )(
   (( segid "    " and resid 91   and name HA  ))
  OR 
   (( segid "    " and resid 38   and name HA  ))
  OR 
   (( segid "    " and resid 36   and name HA  ))
 )
      2.900     1.100     1.100 peak   677 weight  0.10000E+01 volume  0.62300E+00 ppm1      9.413 ppm2      5.164
 ASSI (
   (( segid "    " and resid 91   and name H   ))
 )(
   (( segid "    " and resid 99   and name HD13))
  OR 
   (( segid "    " and resid 99   and name HD12))
  OR 
   (( segid "    " and resid 99   and name HD11))
  OR 
   (( segid "    " and resid 91   and name HG23))
  OR 
   (( segid "    " and resid 91   and name HG22))
  OR 
   (( segid "    " and resid 91   and name HG21))
  OR 
   (( segid "    " and resid 39   and name HG23))
  OR 
   (( segid "    " and resid 39   and name HG22))
  OR 
   (( segid "    " and resid 39   and name HG21))
 )
      3.300     1.400     1.400 peak   678 weight  0.10000E+01 volume  0.52800E+00 ppm1      9.412 ppm2      0.934
 ASSI (
   (( segid "    " and resid 102  and name H   ))
 )(
   (( segid "    " and resid 102  and name HA  ))
  OR 
   (( segid "    " and resid 101  and name HA  ))
 )
      2.500     0.800     0.800 peak   681 weight  0.10000E+01 volume  0.14220E+01 ppm1      8.854 ppm2      4.231
 ASSI (
   (( segid "    " and resid 102  and name H   ))
 )(
   (( segid "    " and resid 102  and name HB3 ))
  OR 
   (( segid "    " and resid 102  and name HB2 ))
  OR 
   (( segid "    " and resid 100  and name HB2 ))
 )
      2.200     0.600     0.600 peak   684 weight  0.10000E+01 volume  0.28240E+01 ppm1      8.856 ppm2      2.068
 ASSI (
   (( segid "    " and resid 84   and name H   ))
 )(
   (( segid "    " and resid 112  and name H   ))
  OR 
   (( segid "    " and resid 86   and name H   ))
 )
      2.900     1.100     1.100 peak   687 weight  0.10000E+01 volume  0.52100E+00 ppm1      8.991 ppm2      8.771
 ASSI (
   (( segid "    " and resid 84   and name H   ))
 )(
   (( segid "    " and resid 83   and name HG2 ))
  OR 
   (( segid "    " and resid 83   and name HB3 ))
 )
      2.900     1.100     1.100 peak   692 weight  0.10000E+01 volume  0.53500E+00 ppm1      8.991 ppm2      1.737
 ASSI (
   (( segid "    " and resid 84   and name H   ))
 )(
   (( segid "    " and resid 112  and name HG13))
  OR 
   (( segid "    " and resid 112  and name HG12))
  OR 
   (( segid "    " and resid 112  and name HG11))
  OR 
   (( segid "    " and resid 18   and name HG22))
 )
      3.000     1.100     1.100 peak   693 weight  0.10000E+01 volume  0.92900E+00 ppm1      8.985 ppm2      0.833
 ASSI (
   (( segid "    " and resid 105  and name HE  ))
 )(
   (( segid "    " and resid 91   and name HG23))
  OR 
   (( segid "    " and resid 91   and name HG22))
  OR 
   (( segid "    " and resid 91   and name HG21))
  OR 
   (( segid "    " and resid 39   and name HG23))
  OR 
   (( segid "    " and resid 39   and name HG22))
  OR 
   (( segid "    " and resid 39   and name HG21))
  OR 
   (( segid "    " and resid 39   and name HG13))
  OR 
   (( segid "    " and resid 39   and name HG12))
  OR 
   (( segid "    " and resid 39   and name HG11))
 )
      3.500     1.500     1.500 peak   701 weight  0.10000E+01 volume  0.31700E+00 ppm1      7.185 ppm2      0.927
 ASSI (
   (( segid "    " and resid 109  and name H   ))
  OR 
   (( segid "    " and resid 56   and name H   ))
 )(
   (( segid "    " and resid 108  and name HD23))
  OR 
   (( segid "    " and resid 108  and name HD22))
  OR 
   (( segid "    " and resid 108  and name HD21))
  OR 
   (( segid "    " and resid 108  and name HD13))
  OR 
   (( segid "    " and resid 108  and name HD12))
  OR 
   (( segid "    " and resid 108  and name HD11))
  OR 
   (( segid "    " and resid 47   and name HD23))
  OR 
   (( segid "    " and resid 47   and name HD22))
  OR 
   (( segid "    " and resid 47   and name HD21))
  OR 
   (( segid "    " and resid 14   and name HG13))
  OR 
   (( segid "    " and resid 14   and name HG12))
 )
      2.100     0.600     0.600 peak   704 weight  0.10000E+01 volume  0.67950E+01 ppm1      9.168 ppm2      0.857
 ASSI (
   (( segid "    " and resid 75   and name H   ))
  OR 
   (( segid "    " and resid 47   and name H   ))
 )(
   (( segid "    " and resid 74   and name HB3 ))
  OR 
   (( segid "    " and resid 58   and name HB3 ))
  OR 
   (( segid "    " and resid 56   and name HB2 ))
  OR 
   (( segid "    " and resid 38   and name HD2 ))
 )
      2.900     1.100     1.100 peak   714 weight  0.10000E+01 volume  0.48600E+00 ppm1      8.854 ppm2      2.401
 ASSI (
   (( segid "    " and resid 75   and name H   ))
 )(
   (( segid "    " and resid 74   and name HE2 ))
  OR 
   (( segid "    " and resid 74   and name HE1 ))
  OR 
   (( segid "    " and resid 25   and name HD2 ))
 )
      3.600     1.600     1.600 peak   715 weight  0.10000E+01 volume  0.17600E+00 ppm1      8.849 ppm2      6.921
 ASSI (
   (( segid "    " and resid 75   and name H   ))
  OR 
   (( segid "    " and resid 47   and name H   ))
 )(
   (( segid "    " and resid 74   and name HD2 ))
  OR 
   (( segid "    " and resid 74   and name HD1 ))
  OR 
   (( segid "    " and resid 41   and name HE2 ))
  OR 
   (( segid "    " and resid 41   and name HE1 ))
 )
      3.300     1.400     1.400 peak   716 weight  0.10000E+01 volume  0.26400E+00 ppm1      8.851 ppm2      7.210
 ASSI (
   (( segid "    " and resid 11   and name H   ))
 )(
   (( segid "    " and resid 11   and name HB3 ))
  OR 
   (( segid "    " and resid 11   and name HB2 ))
 )
      2.400     0.700     0.700 peak   726 weight  0.10000E+01 volume  0.14920E+01 ppm1      7.943 ppm2      2.467
 ASSI (
   (( segid "    " and resid 11   and name H   ))
 )(
   (( segid "    " and resid 108  and name HB2 ))
  OR 
   (( segid "    " and resid 105  and name HG3 ))
  OR 
   (( segid "    " and resid 105  and name HB2 ))
  OR 
   (( segid "    " and resid 12   and name HB3 ))
  OR 
   (( segid "    " and resid 8    and name HB2 ))
 )
      3.600     1.600     1.600 peak   729 weight  0.10000E+01 volume  0.13900E+00 ppm1      7.920 ppm2      1.772
 ASSI (
   (( segid "    " and resid 11   and name H   ))
 )(
   (( segid "    " and resid 108  and name HB2 ))
  OR 
   (( segid "    " and resid 105  and name HG3 ))
  OR 
   (( segid "    " and resid 105  and name HB2 ))
  OR 
   (( segid "    " and resid 90   and name HB2 ))
  OR 
   (( segid "    " and resid 8    and name HB2 ))
 )
      3.500     1.500     1.500 peak   730 weight  0.10000E+01 volume  0.18100E+00 ppm1      7.938 ppm2      1.782
 ASSI (
   (( segid "    " and resid 9    and name H   ))
 )(
   (( segid "    " and resid 105  and name HG3 ))
  OR 
   (( segid "    " and resid 27   and name HD3 ))
  OR 
   (( segid "    " and resid 27   and name HD2 ))
  OR 
   (( segid "    " and resid 8    and name HD3 ))
  OR 
   (( segid "    " and resid 8    and name HD2 ))
 )
      3.000     1.100     1.100 peak   731 weight  0.10000E+01 volume  0.46500E+00 ppm1      8.283 ppm2      1.735
 ASSI (
   (( segid "    " and resid 24   and name H   ))
 )(
   (( segid "    " and resid 108  and name HD23))
  OR 
   (( segid "    " and resid 108  and name HD22))
  OR 
   (( segid "    " and resid 108  and name HD21))
  OR 
   (( segid "    " and resid 55   and name HG13))
  OR 
   (( segid "    " and resid 55   and name HG12))
  OR 
   (( segid "    " and resid 55   and name HG11))
  OR 
   (( segid "    " and resid 24   and name HG13))
 )
      3.000     1.100     1.100 peak   736 weight  0.10000E+01 volume  0.44200E+00 ppm1      9.283 ppm2      0.901
 ASSI (
   (( segid "    " and resid 24   and name H   ))
 )(
   (( segid "    " and resid 76   and name HB  ))
  OR 
   (( segid "    " and resid 23   and name HG2 ))
  OR 
   (( segid "    " and resid 23   and name HB3 ))
  OR 
   (( segid "    " and resid 23   and name HB2 ))
 )
      2.400     0.700     0.700 peak   737 weight  0.10000E+01 volume  0.14500E+01 ppm1      9.292 ppm2      1.758
 ASSI (
   (( segid "    " and resid 14   and name H   ))
 )(
   (( segid "    " and resid 85   and name HB3 ))
  OR 
   (( segid "    " and resid 12   and name HE3 ))
  OR 
   (( segid "    " and resid 12   and name HE2 ))
 )
      3.400     1.400     1.400 peak   753 weight  0.10000E+01 volume  0.19500E+00 ppm1      8.825 ppm2      2.990
 ASSI (
   (( segid "    " and resid 72   and name H   ))
 )(
   (( segid "    " and resid 74   and name HA  ))
  OR 
   (( segid "    " and resid 73   and name HA  ))
 )
      3.300     1.400     1.400 peak   754 weight  0.10000E+01 volume  0.27600E+00 ppm1      8.271 ppm2      4.880
 ASSI (
   (( segid "    " and resid 20   and name H   ))
 )(
   (( segid "    " and resid 21   and name H   ))
  OR 
   (( segid "    " and resid 17   and name H   ))
 )
      2.700     0.900     0.900 peak   762 weight  0.10000E+01 volume  0.88700E+00 ppm1      7.616 ppm2      8.811
 ASSI (
   (( segid "    " and resid 14   and name H   ))
 )(
   (( segid "    " and resid 111  and name H   ))
  OR 
   (( segid "    " and resid 109  and name H   ))
 )
      3.200     1.300     1.300 peak   773 weight  0.10000E+01 volume  0.27100E+00 ppm1      8.826 ppm2      9.136
 ASSI (
   (( segid "    " and resid 42   and name H   ))
 )(
   (( segid "    " and resid 41   and name HD2 ))
  OR 
   (( segid "    " and resid 41   and name HD1 ))
 )
      3.100     1.200     1.200 peak   775 weight  0.10000E+01 volume  0.41100E+00 ppm1      7.793 ppm2      7.257
 ASSI (
   (( segid "    " and resid 38   and name HE  ))
 )(
   (( segid "    " and resid 41   and name HD2 ))
  OR 
   (( segid "    " and resid 41   and name HD1 ))
 )
      3.100     1.200     1.200 peak   776 weight  0.10000E+01 volume  0.37900E+00 ppm1      7.443 ppm2      7.275
 ASSI (
   (( segid "    " and resid 93   and name H   ))
 )(
   (( segid "    " and resid 91   and name HA  ))
  OR 
   (( segid "    " and resid 36   and name HA  ))
 )
      3.400     1.400     1.400 peak   783 weight  0.10000E+01 volume  0.23300E+00 ppm1      8.198 ppm2      5.159
 ASSI (
   (( segid "    " and resid 36   and name HE1 ))
 )(
   (( segid "    " and resid 36   and name HD1 ))
 )
      2.500     0.800     0.800 peak     2 weight  0.10000E+01 volume  0.15070E+01 ppm1      9.230 ppm2      6.008
 ASSI (
   (( segid "    " and resid 13   and name HE1 ))
 )(
   (( segid "    " and resid 13   and name HD1 ))
 )
      2.400     0.700     0.700 peak     3 weight  0.10000E+01 volume  0.20990E+01 ppm1      9.937 ppm2      7.169
 ASSI (
   (( segid "    " and resid 13   and name HE1 ))
 )(
   (( segid "    " and resid 13   and name HZ2 ))
 )
      2.600     0.800     0.800 peak     4 weight  0.10000E+01 volume  0.11310E+01 ppm1      9.936 ppm2      6.998
 ASSI (
   (( segid "    " and resid 22   and name H   ))
 )(
   (( segid "    " and resid 78   and name H   ))
 )
      2.900     1.100     1.100 peak     6 weight  0.10000E+01 volume  0.48500E+00 ppm1      9.510 ppm2      8.991
 ASSI (
   (( segid "    " and resid 22   and name H   ))
 )(
   (( segid "    " and resid 21   and name HA  ))
 )
      2.300     0.700     0.700 peak     7 weight  0.10000E+01 volume  0.20580E+01 ppm1      9.510 ppm2      4.783
 ASSI (
   (( segid "    " and resid 88   and name H   ))
 )(
   (( segid "    " and resid 108  and name H   ))
 )
      2.700     0.900     0.900 peak    21 weight  0.10000E+01 volume  0.76800E+00 ppm1      9.221 ppm2      8.722
 ASSI (
   (( segid "    " and resid 88   and name H   ))
 )(
   (( segid "    " and resid 87   and name HA  ))
 )
      2.400     0.700     0.700 peak    22 weight  0.10000E+01 volume  0.16120E+01 ppm1      9.219 ppm2      4.868
 ASSI (
   (( segid "    " and resid 57   and name H   ))
 )(
   (( segid "    " and resid 75   and name H   ))
 )
      2.700     0.900     0.900 peak    42 weight  0.10000E+01 volume  0.79700E+00 ppm1      9.030 ppm2      8.869
 ASSI (
   (( segid "    " and resid 79   and name H   ))
 )(
   (( segid "    " and resid 53   and name H   ))
 )
      2.800     1.000     1.000 peak    43 weight  0.10000E+01 volume  0.59800E+00 ppm1      9.057 ppm2      8.419
 ASSI (
   (( segid "    " and resid 58   and name H   ))
 )(
   (( segid "    " and resid 57   and name HA  ))
 )
      2.300     0.700     0.700 peak    58 weight  0.10000E+01 volume  0.25430E+01 ppm1      9.081 ppm2      4.879
 ASSI (
   (( segid "    " and resid 58   and name H   ))
 )(
   (( segid "    " and resid 57   and name HB3 ))
 )
      2.900     1.100     1.100 peak    60 weight  0.10000E+01 volume  0.52900E+00 ppm1      9.087 ppm2      1.724
 ASSI (
   (( segid "    " and resid 56   and name H   ))
 )(
   (( segid "    " and resid 55   and name H   ))
 )
      3.300     1.400     1.400 peak    64 weight  0.10000E+01 volume  0.22400E+00 ppm1      9.132 ppm2      8.614
 ASSI (
   (( segid "    " and resid 56   and name H   ))
 )(
   (( segid "    " and resid 56   and name HA  ))
 )
      3.000     1.100     1.100 peak    65 weight  0.10000E+01 volume  0.43800E+00 ppm1      9.136 ppm2      5.338
 ASSI (
   (( segid "    " and resid 56   and name H   ))
 )(
   (( segid "    " and resid 55   and name HB  ))
 )
      3.100     1.200     1.200 peak    69 weight  0.10000E+01 volume  0.34900E+00 ppm1      9.139 ppm2      1.936
 ASSI (
   (( segid "    " and resid 109  and name H   ))
 )(
   (( segid "    " and resid 109  and name HD2 ))
 )
      3.100     1.200     1.200 peak    72 weight  0.10000E+01 volume  0.44000E+00 ppm1      9.167 ppm2      5.989
 ASSI (
   (( segid "    " and resid 109  and name H   ))
 )(
   (( segid "    " and resid 108  and name HA  ))
 )
      2.500     0.800     0.800 peak    73 weight  0.10000E+01 volume  0.13010E+01 ppm1      9.170 ppm2      4.704
 ASSI (
   (( segid "    " and resid 13   and name H   ))
 )(
   (( segid "    " and resid 13   and name HA  ))
 )
      3.000     1.100     1.100 peak    77 weight  0.10000E+01 volume  0.46600E+00 ppm1      8.940 ppm2      5.146
 ASSI (
   (( segid "    " and resid 13   and name H   ))
 )(
   (( segid "    " and resid 12   and name HA  ))
 )
      2.400     0.700     0.700 peak    78 weight  0.10000E+01 volume  0.17630E+01 ppm1      8.941 ppm2      4.673
 ASSI (
   (( segid "    " and resid 13   and name H   ))
 )(
   (( segid "    " and resid 13   and name HB2 ))
 )
      2.800     1.000     1.000 peak    79 weight  0.10000E+01 volume  0.64500E+00 ppm1      8.940 ppm2      3.191
 ASSI (
   (( segid "    " and resid 77   and name H   ))
 )(
   (( segid "    " and resid 55   and name H   ))
 )
      2.900     1.100     1.100 peak    82 weight  0.10000E+01 volume  0.56700E+00 ppm1      8.932 ppm2      8.597
 ASSI (
   (( segid "    " and resid 77   and name H   ))
 )(
   (( segid "    " and resid 56   and name HA  ))
 )
      2.900     1.100     1.100 peak    83 weight  0.10000E+01 volume  0.57800E+00 ppm1      8.919 ppm2      5.347
 ASSI (
   (( segid "    " and resid 77   and name H   ))
 )(
   (( segid "    " and resid 76   and name HA  ))
 )
      2.400     0.700     0.700 peak    85 weight  0.10000E+01 volume  0.16890E+01 ppm1      8.924 ppm2      4.924
 ASSI (
   (( segid "    " and resid 77   and name H   ))
 )(
   (( segid "    " and resid 55   and name HB  ))
 )
      2.800     1.000     1.000 peak    86 weight  0.10000E+01 volume  0.63700E+00 ppm1      8.925 ppm2      1.913
 ASSI (
   (( segid "    " and resid 104  and name H   ))
 )(
   (( segid "    " and resid 103  and name HA  ))
 )
      2.500     0.800     0.800 peak    95 weight  0.10000E+01 volume  0.12390E+01 ppm1      9.214 ppm2      4.842
 ASSI (
   (( segid "    " and resid 104  and name H   ))
 )(
   (( segid "    " and resid 104  and name HB2 ))
 )
      2.400     0.700     0.700 peak    98 weight  0.10000E+01 volume  0.15700E+01 ppm1      9.218 ppm2      1.990
 ASSI (
   (( segid "    " and resid 23   and name H   ))
 )(
   (( segid "    " and resid 23   and name HA  ))
 )
      2.800     1.000     1.000 peak   100 weight  0.10000E+01 volume  0.63800E+00 ppm1      8.744 ppm2      5.277
 ASSI (
   (( segid "    " and resid 23   and name H   ))
 )(
   (( segid "    " and resid 23   and name HG3 ))
 )
      3.000     1.100     1.100 peak   103 weight  0.10000E+01 volume  0.39100E+00 ppm1      8.738 ppm2      2.053
 ASSI (
   (( segid "    " and resid 39   and name H   ))
 )(
   (( segid "    " and resid 39   and name HA  ))
 )
      2.900     1.100     1.100 peak   106 weight  0.10000E+01 volume  0.58000E+00 ppm1      8.658 ppm2      3.454
 ASSI (
   (( segid "    " and resid 15   and name H   ))
 )(
   (( segid "    " and resid 15   and name HA  ))
 )
      3.000     1.100     1.100 peak   116 weight  0.10000E+01 volume  0.42100E+00 ppm1      8.752 ppm2      5.406
 ASSI (
   (( segid "    " and resid 15   and name H   ))
 )(
   (( segid "    " and resid 14   and name HB  ))
 )
      2.600     0.800     0.800 peak   117 weight  0.10000E+01 volume  0.10060E+01 ppm1      8.749 ppm2      2.014
 ASSI (
   (( segid "    " and resid 108  and name H   ))
 )(
   (( segid "    " and resid 107  and name HA  ))
 )
      2.200     0.600     0.600 peak   120 weight  0.10000E+01 volume  0.29430E+01 ppm1      8.728 ppm2      4.969
 ASSI (
   (( segid "    " and resid 54   and name H   ))
 )(
   (( segid "    " and resid 54   and name HA  ))
 )
      2.900     1.100     1.100 peak   128 weight  0.10000E+01 volume  0.52000E+00 ppm1      8.456 ppm2      4.855
 ASSI (
   (( segid "    " and resid 54   and name H   ))
 )(
   (( segid "    " and resid 53   and name HA  ))
 )
      2.300     0.700     0.700 peak   129 weight  0.10000E+01 volume  0.20290E+01 ppm1      8.458 ppm2      4.555
 ASSI (
   (( segid "    " and resid 92   and name H   ))
 )(
   (( segid "    " and resid 92   and name HB3 ))
 )
      2.800     1.000     1.000 peak   140 weight  0.10000E+01 volume  0.60600E+00 ppm1      8.124 ppm2     -0.200
 ASSI (
   (( segid "    " and resid 100  and name H   ))
 )(
   (( segid "    " and resid 100  and name HA  ))
 )
      2.900     1.100     1.100 peak   143 weight  0.10000E+01 volume  0.53800E+00 ppm1      7.726 ppm2      4.886
 ASSI (
   (( segid "    " and resid 94   and name H   ))
 )(
   (( segid "    " and resid 94   and name HA  ))
 )
      2.800     1.000     1.000 peak   150 weight  0.10000E+01 volume  0.68700E+00 ppm1      8.207 ppm2      4.761
 ASSI (
   (( segid "    " and resid 94   and name H   ))
 )(
   (( segid "    " and resid 93   and name HA  ))
 )
      2.700     0.900     0.900 peak   151 weight  0.10000E+01 volume  0.78700E+00 ppm1      8.210 ppm2      4.568
 ASSI (
   (( segid "    " and resid 107  and name H   ))
 )(
   (( segid "    " and resid 106  and name HA  ))
 )
      2.400     0.700     0.700 peak   158 weight  0.10000E+01 volume  0.18430E+01 ppm1      7.969 ppm2      4.684
 ASSI (
   (( segid "    " and resid 55   and name H   ))
 )(
   (( segid "    " and resid 54   and name HA  ))
 )
      2.300     0.700     0.700 peak   163 weight  0.10000E+01 volume  0.22360E+01 ppm1      8.600 ppm2      4.841
 ASSI (
   (( segid "    " and resid 59   and name H   ))
 )(
   (( segid "    " and resid 75   and name H   ))
 )
      3.200     1.300     1.300 peak   170 weight  0.10000E+01 volume  0.30300E+00 ppm1      8.465 ppm2      8.855
 ASSI (
   (( segid "    " and resid 59   and name H   ))
 )(
   (( segid "    " and resid 58   and name HA  ))
 )
      2.200     0.600     0.600 peak   174 weight  0.10000E+01 volume  0.33710E+01 ppm1      8.451 ppm2      4.387
 ASSI (
   (( segid "    " and resid 59   and name H   ))
 )(
   (( segid "    " and resid 73   and name H   ))
 )
      3.000     1.100     1.100 peak   177 weight  0.10000E+01 volume  0.44300E+00 ppm1      8.454 ppm2      7.776
 ASSI (
   (( segid "    " and resid 26   and name H   ))
 )(
   (( segid "    " and resid 74   and name H   ))
 )
      3.100     1.200     1.200 peak   181 weight  0.10000E+01 volume  0.32300E+00 ppm1      8.928 ppm2      9.425
 ASSI (
   (( segid "    " and resid 112  and name H   ))
 )(
   (( segid "    " and resid 84   and name H   ))
 )
      2.800     1.000     1.000 peak   183 weight  0.10000E+01 volume  0.70800E+00 ppm1      8.776 ppm2      9.005
 ASSI (
   (( segid "    " and resid 47   and name H   ))
 )(
   (( segid "    " and resid 48   and name H   ))
 )
      2.600     0.800     0.800 peak   186 weight  0.10000E+01 volume  0.91700E+00 ppm1      8.844 ppm2      6.734
 ASSI (
   (( segid "    " and resid 75   and name H   ))
 )(
   (( segid "    " and resid 74   and name HA  ))
 )
      2.400     0.700     0.700 peak   188 weight  0.10000E+01 volume  0.19250E+01 ppm1      8.850 ppm2      4.871
 ASSI (
   (( segid "    " and resid 26   and name H   ))
 )(
   (( segid "    " and resid 26   and name HA  ))
 )
      3.300     1.400     1.400 peak   191 weight  0.10000E+01 volume  0.24000E+00 ppm1      8.937 ppm2      4.496
 ASSI (
   (( segid "    " and resid 26   and name H   ))
 )(
   (( segid "    " and resid 75   and name HA  ))
 )
      2.900     1.100     1.100 peak   193 weight  0.10000E+01 volume  0.56400E+00 ppm1      8.924 ppm2      4.292
 ASSI (
   (( segid "    " and resid 25   and name H   ))
 )(
   (( segid "    " and resid 26   and name H   ))
 )
      3.100     1.200     1.200 peak   201 weight  0.10000E+01 volume  0.35700E+00 ppm1      8.750 ppm2      8.934
 ASSI (
   (( segid "    " and resid 25   and name H   ))
 )(
   (( segid "    " and resid 25   and name HA  ))
 )
      2.800     1.000     1.000 peak   202 weight  0.10000E+01 volume  0.68500E+00 ppm1      8.744 ppm2      5.567
 ASSI (
   (( segid "    " and resid 111  and name H   ))
 )(
   (( segid "    " and resid 110  and name HA  ))
 )
      2.500     0.800     0.800 peak   210 weight  0.10000E+01 volume  0.14620E+01 ppm1      9.105 ppm2      4.951
 ASSI (
   (( segid "    " and resid 111  and name H   ))
 )(
   (( segid "    " and resid 111  and name HA  ))
 )
      2.900     1.100     1.100 peak   211 weight  0.10000E+01 volume  0.61500E+00 ppm1      9.114 ppm2      4.755
 ASSI (
   (( segid "    " and resid 110  and name H   ))
 )(
   (( segid "    " and resid 110  and name HB2 ))
 )
      2.800     1.000     1.000 peak   217 weight  0.10000E+01 volume  0.58800E+00 ppm1      9.080 ppm2      1.663
 ASSI (
   (( segid "    " and resid 49   and name H   ))
 )(
   (( segid "    " and resid 51   and name H   ))
 )
      3.500     1.500     1.500 peak   225 weight  0.10000E+01 volume  0.16100E+00 ppm1      8.906 ppm2      7.569
 ASSI (
   (( segid "    " and resid 74   and name H   ))
 )(
   (( segid "    " and resid 73   and name HA  ))
 )
      2.300     0.700     0.700 peak   239 weight  0.10000E+01 volume  0.20900E+01 ppm1      9.422 ppm2      4.836
 ASSI (
   (( segid "    " and resid 53   and name H   ))
 )(
   (( segid "    " and resid 52   and name HA  ))
 )
      2.400     0.700     0.700 peak   245 weight  0.10000E+01 volume  0.15530E+01 ppm1      8.425 ppm2      4.616
 ASSI (
   (( segid "    " and resid 53   and name H   ))
 )(
   (( segid "    " and resid 52   and name HB3 ))
 )
      2.900     1.100     1.100 peak   249 weight  0.10000E+01 volume  0.56500E+00 ppm1      8.430 ppm2      0.867
 ASSI (
   (( segid "    " and resid 38   and name H   ))
 )(
   (( segid "    " and resid 38   and name HA  ))
 )
      3.100     1.200     1.200 peak   258 weight  0.10000E+01 volume  0.41700E+00 ppm1      8.038 ppm2      5.168
 ASSI (
   (( segid "    " and resid 106  and name H   ))
 )(
   (( segid "    " and resid 90   and name H   ))
 )
      3.200     1.300     1.300 peak   268 weight  0.10000E+01 volume  0.28400E+00 ppm1      8.447 ppm2      9.183
 ASSI (
   (( segid "    " and resid 106  and name H   ))
 )(
   (( segid "    " and resid 36   and name HZ3 ))
 )
      2.900     1.100     1.100 peak   270 weight  0.10000E+01 volume  0.58400E+00 ppm1      8.457 ppm2      6.562
 ASSI (
   (( segid "    " and resid 106  and name H   ))
 )(
   (( segid "    " and resid 91   and name HA  ))
 )
      3.200     1.300     1.300 peak   272 weight  0.10000E+01 volume  0.31000E+00 ppm1      8.448 ppm2      5.176
 ASSI (
   (( segid "    " and resid 12   and name H   ))
 )(
   (( segid "    " and resid 109  and name HD2 ))
 )
      3.100     1.200     1.200 peak   279 weight  0.10000E+01 volume  0.38600E+00 ppm1      8.146 ppm2      5.987
 ASSI (
   (( segid "    " and resid 12   and name H   ))
 )(
   (( segid "    " and resid 11   and name H   ))
 )
      2.900     1.100     1.100 peak   281 weight  0.10000E+01 volume  0.52800E+00 ppm1      8.138 ppm2      7.957
 ASSI (
   (( segid "    " and resid 12   and name H   ))
 )(
   (( segid "    " and resid 11   and name HA  ))
 )
      2.500     0.800     0.800 peak   282 weight  0.10000E+01 volume  0.14160E+01 ppm1      8.142 ppm2      4.935
 ASSI (
   (( segid "    " and resid 68   and name H   ))
 )(
   (( segid "    " and resid 69   and name H   ))
 )
      3.200     1.300     1.300 peak   286 weight  0.10000E+01 volume  0.30700E+00 ppm1      8.047 ppm2      8.535
 ASSI (
   (( segid "    " and resid 68   and name H   ))
 )(
   (( segid "    " and resid 67   and name H   ))
 )
      2.700     0.900     0.900 peak   287 weight  0.10000E+01 volume  0.73300E+00 ppm1      8.041 ppm2      8.321
 ASSI (
   (( segid "    " and resid 11   and name H   ))
 )(
   (( segid "    " and resid 10   and name H   ))
 )
      2.300     0.700     0.700 peak   288 weight  0.10000E+01 volume  0.18610E+01 ppm1      7.945 ppm2      8.220
 ASSI (
   (( segid "    " and resid 68   and name H   ))
 )(
   (( segid "    " and resid 68   and name HA  ))
 )
      2.800     1.000     1.000 peak   289 weight  0.10000E+01 volume  0.70300E+00 ppm1      8.049 ppm2      4.106
 ASSI (
   (( segid "    " and resid 9    and name H   ))
 )(
   (( segid "    " and resid 8    and name H   ))
 )
      2.900     1.100     1.100 peak   291 weight  0.10000E+01 volume  0.53700E+00 ppm1      8.280 ppm2      8.462
 ASSI (
   (( segid "    " and resid 9    and name H   ))
 )(
   (( segid "    " and resid 9    and name HA  ))
 )
      2.800     1.000     1.000 peak   292 weight  0.10000E+01 volume  0.66800E+00 ppm1      8.286 ppm2      4.708
 ASSI (
   (( segid "    " and resid 93   and name H   ))
 )(
   (( segid "    " and resid 93   and name HA  ))
 )
      2.800     1.000     1.000 peak   295 weight  0.10000E+01 volume  0.69100E+00 ppm1      8.204 ppm2      4.549
 ASSI (
   (( segid "    " and resid 44   and name H   ))
 )(
   (( segid "    " and resid 43   and name H   ))
 )
      2.600     0.800     0.800 peak   298 weight  0.10000E+01 volume  0.10390E+01 ppm1      8.085 ppm2      8.874
 ASSI (
   (( segid "    " and resid 44   and name H   ))
 )(
   (( segid "    " and resid 44   and name HA  ))
 )
      2.800     1.000     1.000 peak   300 weight  0.10000E+01 volume  0.76100E+00 ppm1      8.085 ppm2      4.600
 ASSI (
   (( segid "    " and resid 44   and name H   ))
 )(
   (( segid "    " and resid 43   and name HA2 ))
 )
      3.100     1.200     1.200 peak   301 weight  0.10000E+01 volume  0.41600E+00 ppm1      8.098 ppm2      4.206
 ASSI (
   (( segid "    " and resid 44   and name H   ))
 )(
   (( segid "    " and resid 44   and name HB2 ))
 )
      2.400     0.700     0.700 peak   302 weight  0.10000E+01 volume  0.16380E+01 ppm1      8.090 ppm2      2.176
 ASSI (
   (( segid "    " and resid 105  and name H   ))
 )(
   (( segid "    " and resid 105  and name HA  ))
 )
      3.200     1.300     1.300 peak   305 weight  0.10000E+01 volume  0.33100E+00 ppm1      8.505 ppm2      5.377
 ASSI (
   (( segid "    " and resid 27   and name H   ))
 )(
   (( segid "    " and resid 27   and name HA  ))
 )
      2.800     1.000     1.000 peak   317 weight  0.10000E+01 volume  0.66300E+00 ppm1      8.724 ppm2      4.813
 ASSI (
   (( segid "    " and resid 27   and name H   ))
 )(
   (( segid "    " and resid 26   and name HA  ))
 )
      2.300     0.700     0.700 peak   318 weight  0.10000E+01 volume  0.21700E+01 ppm1      8.718 ppm2      4.476
 ASSI (
   (( segid "    " and resid 27   and name H   ))
 )(
   (( segid "    " and resid 27   and name HB2 ))
 )
      2.200     0.600     0.600 peak   319 weight  0.10000E+01 volume  0.27020E+01 ppm1      8.721 ppm2      1.865
 ASSI (
   (( segid "    " and resid 27   and name H   ))
 )(
   (( segid "    " and resid 26   and name HB2 ))
 )
      2.900     1.100     1.100 peak   320 weight  0.10000E+01 volume  0.56600E+00 ppm1      8.722 ppm2      0.495
 ASSI (
   (( segid "    " and resid 83   and name H   ))
 )(
   (( segid "    " and resid 82   and name HA  ))
 )
      2.400     0.700     0.700 peak   326 weight  0.10000E+01 volume  0.16300E+01 ppm1      8.718 ppm2      4.701
 ASSI (
   (( segid "    " and resid 18   and name H   ))
 )(
   (( segid "    " and resid 18   and name HB  ))
 )
      2.400     0.700     0.700 peak   330 weight  0.10000E+01 volume  0.15670E+01 ppm1      8.691 ppm2      1.913
 ASSI (
   (( segid "    " and resid 14   and name H   ))
 )(
   (( segid "    " and resid 110  and name HA  ))
 )
      3.200     1.300     1.300 peak   340 weight  0.10000E+01 volume  0.31000E+00 ppm1      8.826 ppm2      4.980
 ASSI (
   (( segid "    " and resid 14   and name H   ))
 )(
   (( segid "    " and resid 13   and name HB2 ))
 )
      2.800     1.000     1.000 peak   342 weight  0.10000E+01 volume  0.69900E+00 ppm1      8.834 ppm2      3.166
 ASSI (
   (( segid "    " and resid 41   and name H   ))
 )(
   (( segid "    " and resid 42   and name H   ))
 )
      2.500     0.800     0.800 peak   348 weight  0.10000E+01 volume  0.12540E+01 ppm1      8.627 ppm2      7.785
 ASSI (
   (( segid "    " and resid 41   and name H   ))
 )(
   (( segid "    " and resid 40   and name HA3 ))
 )
      2.900     1.100     1.100 peak   351 weight  0.10000E+01 volume  0.61000E+00 ppm1      8.630 ppm2      3.666
 ASSI (
   (( segid "    " and resid 45   and name H   ))
 )(
   (( segid "    " and resid 46   and name H   ))
 )
      2.600     0.800     0.800 peak   363 weight  0.10000E+01 volume  0.10770E+01 ppm1      8.521 ppm2      7.625
 ASSI (
   (( segid "    " and resid 45   and name H   ))
 )(
   (( segid "    " and resid 45   and name HB3 ))
 )
      2.400     0.700     0.700 peak   364 weight  0.10000E+01 volume  0.15840E+01 ppm1      8.520 ppm2      2.750
 ASSI (
   (( segid "    " and resid 42   and name H   ))
 )(
   (( segid "    " and resid 40   and name H   ))
 )
      3.100     1.200     1.200 peak   368 weight  0.10000E+01 volume  0.33800E+00 ppm1      7.788 ppm2      8.406
 ASSI (
   (( segid "    " and resid 103  and name H   ))
 )(
   (( segid "    " and resid 103  and name HA  ))
 )
      2.800     1.000     1.000 peak   376 weight  0.10000E+01 volume  0.66800E+00 ppm1      7.780 ppm2      4.842
 ASSI (
   (( segid "    " and resid 103  and name H   ))
 )(
   (( segid "    " and resid 103  and name HB3 ))
 )
      2.800     1.000     1.000 peak   378 weight  0.10000E+01 volume  0.62600E+00 ppm1      7.783 ppm2      3.070
 ASSI (
   (( segid "    " and resid 103  and name H   ))
 )(
   (( segid "    " and resid 103  and name HB2 ))
 )
      2.700     0.900     0.900 peak   379 weight  0.10000E+01 volume  0.88800E+00 ppm1      7.783 ppm2      2.577
 ASSI (
   (( segid "    " and resid 20   and name H   ))
 )(
   (( segid "    " and resid 19   and name H   ))
 )
      2.700     0.900     0.900 peak   382 weight  0.10000E+01 volume  0.74100E+00 ppm1      7.617 ppm2      8.360
 ASSI (
   (( segid "    " and resid 20   and name H   ))
 )(
   (( segid "    " and resid 19   and name HA3 ))
 )
      2.900     1.100     1.100 peak   385 weight  0.10000E+01 volume  0.54700E+00 ppm1      7.617 ppm2      4.289
 ASSI (
   (( segid "    " and resid 20   and name H   ))
 )(
   (( segid "    " and resid 19   and name HA2 ))
 )
      3.300     1.400     1.400 peak   386 weight  0.10000E+01 volume  0.27100E+00 ppm1      7.610 ppm2      3.582
 ASSI (
   (( segid "    " and resid 20   and name H   ))
 )(
   (( segid "    " and resid 18   and name HA  ))
 )
      3.200     1.300     1.300 peak   387 weight  0.10000E+01 volume  0.30400E+00 ppm1      7.613 ppm2      3.271
 ASSI (
   (( segid "    " and resid 20   and name H   ))
 )(
   (( segid "    " and resid 20   and name HD2 ))
 )
      3.000     1.100     1.100 peak   391 weight  0.10000E+01 volume  0.40600E+00 ppm1      7.612 ppm2      1.273
 ASSI (
   (( segid "    " and resid 34   and name H   ))
 )(
   (( segid "    " and resid 33   and name H   ))
 )
      2.700     0.900     0.900 peak   399 weight  0.10000E+01 volume  0.87500E+00 ppm1      7.303 ppm2      7.868
 ASSI (
   (( segid "    " and resid 34   and name H   ))
 )(
   (( segid "    " and resid 34   and name HD1 ))
 )
      2.900     1.100     1.100 peak   401 weight  0.10000E+01 volume  0.64300E+00 ppm1      7.304 ppm2      6.322
 ASSI (
   (( segid "    " and resid 34   and name H   ))
 )(
   (( segid "    " and resid 33   and name HA3 ))
 )
      3.200     1.300     1.300 peak   402 weight  0.10000E+01 volume  0.28900E+00 ppm1      7.300 ppm2      4.190
 ASSI (
   (( segid "    " and resid 34   and name H   ))
 )(
   (( segid "    " and resid 34   and name HA  ))
 )
      3.000     1.100     1.100 peak   403 weight  0.10000E+01 volume  0.50400E+00 ppm1      7.290 ppm2      3.994
 ASSI (
   (( segid "    " and resid 34   and name H   ))
 )(
   (( segid "    " and resid 33   and name HA2 ))
 )
      3.000     1.100     1.100 peak   405 weight  0.10000E+01 volume  0.44000E+00 ppm1      7.291 ppm2      3.646
 ASSI (
   (( segid "    " and resid 97   and name H   ))
 )(
   (( segid "    " and resid 96   and name H   ))
 )
      2.700     0.900     0.900 peak   406 weight  0.10000E+01 volume  0.75400E+00 ppm1      7.059 ppm2      7.808
 ASSI (
   (( segid "    " and resid 97   and name H   ))
 )(
   (( segid "    " and resid 98   and name H   ))
 )
      2.400     0.700     0.700 peak   407 weight  0.10000E+01 volume  0.17320E+01 ppm1      7.058 ppm2      7.381
 ASSI (
   (( segid "    " and resid 97   and name H   ))
 )(
   (( segid "    " and resid 94   and name HB2 ))
 )
      3.500     1.500     1.500 peak   409 weight  0.10000E+01 volume  0.17600E+00 ppm1      7.064 ppm2      1.189
 ASSI (
   (( segid "    " and resid 36   and name H   ))
 )(
   (( segid "    " and resid 92   and name HE2 ))
 )
      3.000     1.100     1.100 peak   411 weight  0.10000E+01 volume  0.49600E+00 ppm1      5.818 ppm2      6.059
 ASSI (
   (( segid "    " and resid 36   and name H   ))
 )(
   (( segid "    " and resid 36   and name HA  ))
 )
      3.000     1.100     1.100 peak   413 weight  0.10000E+01 volume  0.42300E+00 ppm1      5.812 ppm2      5.167
 ASSI (
   (( segid "    " and resid 36   and name H   ))
 )(
   (( segid "    " and resid 36   and name HB3 ))
 )
      2.400     0.700     0.700 peak   417 weight  0.10000E+01 volume  0.17270E+01 ppm1      5.834 ppm2      1.948
 ASSI (
   (( segid "    " and resid 73   and name H   ))
 )(
   (( segid "    " and resid 73   and name HA  ))
 )
      2.900     1.100     1.100 peak   419 weight  0.10000E+01 volume  0.56500E+00 ppm1      7.772 ppm2      4.838
 ASSI (
   (( segid "    " and resid 73   and name H   ))
 )(
   (( segid "    " and resid 72   and name HA2 ))
 )
      2.400     0.700     0.700 peak   420 weight  0.10000E+01 volume  0.19700E+01 ppm1      7.767 ppm2      4.361
 ASSI (
   (( segid "    " and resid 73   and name H   ))
 )(
   (( segid "    " and resid 73   and name HG12))
 )
      2.500     0.800     0.800 peak   424 weight  0.10000E+01 volume  0.12070E+01 ppm1      7.773 ppm2      0.909
 ASSI (
   (( segid "    " and resid 82   and name H   ))
 )(
   (( segid "    " and resid 81   and name H   ))
 )
      2.400     0.700     0.700 peak   425 weight  0.10000E+01 volume  0.15290E+01 ppm1      7.405 ppm2      8.982
 ASSI (
   (( segid "    " and resid 82   and name H   ))
 )(
   (( segid "    " and resid 81   and name HA  ))
 )
      3.200     1.300     1.300 peak   428 weight  0.10000E+01 volume  0.32400E+00 ppm1      7.398 ppm2      4.421
 ASSI (
   (( segid "    " and resid 38   and name HE  ))
 )(
   (( segid "    " and resid 48   and name H   ))
 )
      2.800     1.000     1.000 peak   454 weight  0.10000E+01 volume  0.68400E+00 ppm1      7.445 ppm2      6.737
 ASSI (
   (( segid "    " and resid 96   and name H   ))
 )(
   (( segid "    " and resid 95   and name HA  ))
 )
      2.800     1.000     1.000 peak   475 weight  0.10000E+01 volume  0.64900E+00 ppm1      7.804 ppm2      3.816
 ASSI (
   (( segid "    " and resid 96   and name H   ))
 )(
   (( segid "    " and resid 95   and name HB2 ))
 )
      2.900     1.100     1.100 peak   479 weight  0.10000E+01 volume  0.55000E+00 ppm1      7.807 ppm2      1.880
 ASSI (
   (( segid "    " and resid 31   and name H   ))
 )(
   (( segid "    " and resid 30   and name HG3 ))
 )
      3.200     1.300     1.300 peak   482 weight  0.10000E+01 volume  0.30000E+00 ppm1      8.008 ppm2      1.473
 ASSI (
   (( segid "    " and resid 31   and name H   ))
 )(
   (( segid "    " and resid 31   and name HA  ))
 )
      2.300     0.700     0.700 peak   484 weight  0.10000E+01 volume  0.20640E+01 ppm1      8.007 ppm2      4.219
 ASSI (
   (( segid "    " and resid 35   and name H   ))
 )(
   (( segid "    " and resid 34   and name HB3 ))
 )
      2.700     0.900     0.900 peak   491 weight  0.10000E+01 volume  0.84400E+00 ppm1      8.296 ppm2      0.595
 ASSI (
   (( segid "    " and resid 32   and name H   ))
 )(
   (( segid "    " and resid 31   and name H   ))
 )
      2.600     0.800     0.800 peak   493 weight  0.10000E+01 volume  0.96600E+00 ppm1      7.785 ppm2      7.974
 ASSI (
   (( segid "    " and resid 32   and name H   ))
 )(
   (( segid "    " and resid 32   and name HA  ))
 )
      2.800     1.000     1.000 peak   496 weight  0.10000E+01 volume  0.68500E+00 ppm1      7.780 ppm2      4.366
 ASSI (
   (( segid "    " and resid 33   and name H   ))
 )(
   (( segid "    " and resid 32   and name HA  ))
 )
      3.000     1.100     1.100 peak   501 weight  0.10000E+01 volume  0.42000E+00 ppm1      7.879 ppm2      4.343
 ASSI (
   (( segid "    " and resid 33   and name H   ))
 )(
   (( segid "    " and resid 33   and name HA3 ))
 )
      2.400     0.700     0.700 peak   503 weight  0.10000E+01 volume  0.15740E+01 ppm1      7.878 ppm2      4.188
 ASSI (
   (( segid "    " and resid 72   and name H   ))
 )(
   (( segid "    " and resid 73   and name H   ))
 )
      3.300     1.400     1.400 peak   508 weight  0.10000E+01 volume  0.25400E+00 ppm1      8.275 ppm2      7.766
 ASSI (
   (( segid "    " and resid 72   and name H   ))
 )(
   (( segid "    " and resid 72   and name HA2 ))
 )
      2.800     1.000     1.000 peak   509 weight  0.10000E+01 volume  0.62900E+00 ppm1      8.274 ppm2      4.364
 ASSI (
   (( segid "    " and resid 103  and name HD21))
 )(
   (( segid "    " and resid 103  and name HD22))
 )
      2.400     0.700     0.700 peak   515 weight  0.10000E+01 volume  0.16420E+01 ppm1      8.308 ppm2      7.771
 ASSI (
   (( segid "    " and resid 103  and name HD21))
 )(
   (( segid "    " and resid 103  and name HA  ))
 )
      2.800     1.000     1.000 peak   517 weight  0.10000E+01 volume  0.67500E+00 ppm1      8.306 ppm2      4.855
 ASSI (
   (( segid "    " and resid 65   and name H   ))
 )(
   (( segid "    " and resid 63   and name HB2 ))
 )
      2.900     1.100     1.100 peak   520 weight  0.10000E+01 volume  0.54600E+00 ppm1      7.935 ppm2      3.838
 ASSI (
   (( segid "    " and resid 65   and name H   ))
 )(
   (( segid "    " and resid 64   and name H   ))
 )
      2.700     0.900     0.900 peak   521 weight  0.10000E+01 volume  0.74900E+00 ppm1      7.930 ppm2      8.515
 ASSI (
   (( segid "    " and resid 65   and name H   ))
 )(
   (( segid "    " and resid 65   and name HA  ))
 )
      2.800     1.000     1.000 peak   523 weight  0.10000E+01 volume  0.63300E+00 ppm1      7.937 ppm2      4.720
 ASSI (
   (( segid "    " and resid 99   and name H   ))
 )(
   (( segid "    " and resid 98   and name H   ))
 )
      3.300     1.400     1.400 peak   527 weight  0.10000E+01 volume  0.23400E+00 ppm1      7.990 ppm2      7.361
 ASSI (
   (( segid "    " and resid 69   and name H   ))
 )(
   (( segid "    " and resid 68   and name HB  ))
 )
      3.300     1.400     1.400 peak   535 weight  0.10000E+01 volume  0.24400E+00 ppm1      8.523 ppm2      2.054
 ASSI (
   (( segid "    " and resid 71   and name H   ))
 )(
   (( segid "    " and resid 72   and name H   ))
 )
      3.200     1.300     1.300 peak   539 weight  0.10000E+01 volume  0.28900E+00 ppm1      8.579 ppm2      8.248
 ASSI (
   (( segid "    " and resid 71   and name H   ))
 )(
   (( segid "    " and resid 70   and name H   ))
 )
      2.600     0.800     0.800 peak   540 weight  0.10000E+01 volume  0.94400E+00 ppm1      8.560 ppm2      8.033
 ASSI (
   (( segid "    " and resid 71   and name H   ))
 )(
   (( segid "    " and resid 71   and name HA2 ))
 )
      2.000     0.500     0.500 peak   544 weight  0.10000E+01 volume  0.54250E+01 ppm1      8.567 ppm2      4.097
 ASSI (
   (( segid "    " and resid 28   and name H   ))
 )(
   (( segid "    " and resid 27   and name HA  ))
 )
      2.200     0.600     0.600 peak   557 weight  0.10000E+01 volume  0.28050E+01 ppm1      8.359 ppm2      4.827
 ASSI (
   (( segid "    " and resid 28   and name H   ))
 )(
   (( segid "    " and resid 27   and name HB2 ))
 )
      2.500     0.800     0.800 peak   559 weight  0.10000E+01 volume  0.11990E+01 ppm1      8.360 ppm2      1.892
 ASSI (
   (( segid "    " and resid 113  and name H   ))
 )(
   (( segid "    " and resid 113  and name HB2 ))
 )
      3.000     1.100     1.100 peak   564 weight  0.10000E+01 volume  0.39300E+00 ppm1      8.349 ppm2      1.891
 ASSI (
   (( segid "    " and resid 67   and name H   ))
 )(
   (( segid "    " and resid 66   and name HA  ))
 )
      2.200     0.600     0.600 peak   575 weight  0.10000E+01 volume  0.31150E+01 ppm1      8.337 ppm2      4.388
 ASSI (
   (( segid "    " and resid 52   and name H   ))
 )(
   (( segid "    " and resid 52   and name HB2 ))
 )
      2.300     0.700     0.700 peak   579 weight  0.10000E+01 volume  0.21090E+01 ppm1      8.289 ppm2      1.560
 ASSI (
   (( segid "    " and resid 52   and name H   ))
 )(
   (( segid "    " and resid 52   and name HB3 ))
 )
      3.100     1.200     1.200 peak   581 weight  0.10000E+01 volume  0.37900E+00 ppm1      8.290 ppm2      0.887
 ASSI (
   (( segid "    " and resid 85   and name H   ))
 )(
   (( segid "    " and resid 85   and name HA  ))
 )
      2.900     1.100     1.100 peak   590 weight  0.10000E+01 volume  0.61800E+00 ppm1      8.290 ppm2      5.254
 ASSI (
   (( segid "    " and resid 85   and name H   ))
 )(
   (( segid "    " and resid 84   and name HA3 ))
 )
      2.400     0.700     0.700 peak   594 weight  0.10000E+01 volume  0.17750E+01 ppm1      8.292 ppm2      3.633
 ASSI (
   (( segid "    " and resid 10   and name H   ))
 )(
   (( segid "    " and resid 10   and name HB2 ))
 )
      2.600     0.800     0.800 peak   596 weight  0.10000E+01 volume  0.90500E+00 ppm1      8.225 ppm2      3.006
 ASSI (
   (( segid "    " and resid 10   and name H   ))
 )(
   (( segid "    " and resid 10   and name HB3 ))
 )
      2.600     0.800     0.800 peak   597 weight  0.10000E+01 volume  0.10760E+01 ppm1      8.221 ppm2      2.827
 ASSI (
   (( segid "    " and resid 64   and name H   ))
 )(
   (( segid "    " and resid 63   and name HA  ))
 )
      2.400     0.700     0.700 peak   603 weight  0.10000E+01 volume  0.15790E+01 ppm1      8.516 ppm2      4.489
 ASSI (
   (( segid "    " and resid 63   and name H   ))
 )(
   (( segid "    " and resid 62   and name HA  ))
 )
      2.000     0.500     0.500 peak   607 weight  0.10000E+01 volume  0.54020E+01 ppm1      8.387 ppm2      4.420
 ASSI (
   (( segid "    " and resid 63   and name H   ))
 )(
   (( segid "    " and resid 63   and name HB3 ))
 )
      2.700     0.900     0.900 peak   608 weight  0.10000E+01 volume  0.84500E+00 ppm1      8.391 ppm2      3.955
 ASSI (
   (( segid "    " and resid 40   and name H   ))
 )(
   (( segid "    " and resid 41   and name H   ))
 )
      2.500     0.800     0.800 peak   611 weight  0.10000E+01 volume  0.11510E+01 ppm1      8.398 ppm2      8.619
 ASSI (
   (( segid "    " and resid 50   and name H   ))
 )(
   (( segid "    " and resid 51   and name H   ))
 )
      2.800     1.000     1.000 peak   616 weight  0.10000E+01 volume  0.64500E+00 ppm1      8.597 ppm2      7.580
 ASSI (
   (( segid "    " and resid 50   and name H   ))
 )(
   (( segid "    " and resid 49   and name HA  ))
 )
      2.700     0.900     0.900 peak   617 weight  0.10000E+01 volume  0.80300E+00 ppm1      8.600 ppm2      4.715
 ASSI (
   (( segid "    " and resid 17   and name H   ))
 )(
   (( segid "    " and resid 17   and name HA  ))
 )
      2.800     1.000     1.000 peak   625 weight  0.10000E+01 volume  0.71600E+00 ppm1      8.810 ppm2      5.506
 ASSI (
   (( segid "    " and resid 16   and name H   ))
 )(
   (( segid "    " and resid 16   and name HA  ))
 )
      2.800     1.000     1.000 peak   627 weight  0.10000E+01 volume  0.69700E+00 ppm1      8.866 ppm2      4.725
 ASSI (
   (( segid "    " and resid 17   and name H   ))
 )(
   (( segid "    " and resid 16   and name HA  ))
 )
      2.600     0.800     0.800 peak   628 weight  0.10000E+01 volume  0.10480E+01 ppm1      8.823 ppm2      4.724
 ASSI (
   (( segid "    " and resid 16   and name H   ))
 )(
   (( segid "    " and resid 16   and name HB  ))
 )
      2.900     1.100     1.100 peak   629 weight  0.10000E+01 volume  0.51400E+00 ppm1      8.879 ppm2      3.901
 ASSI (
   (( segid "    " and resid 17   and name H   ))
 )(
   (( segid "    " and resid 16   and name HB  ))
 )
      3.200     1.300     1.300 peak   630 weight  0.10000E+01 volume  0.29800E+00 ppm1      8.821 ppm2      3.900
 ASSI (
   (( segid "    " and resid 16   and name H   ))
 )(
   (( segid "    " and resid 112  and name HA  ))
 )
      3.000     1.100     1.100 peak   631 weight  0.10000E+01 volume  0.48100E+00 ppm1      8.880 ppm2      3.745
 ASSI (
   (( segid "    " and resid 17   and name H   ))
 )(
   (( segid "    " and resid 20   and name HB2 ))
 )
      2.900     1.100     1.100 peak   636 weight  0.10000E+01 volume  0.55400E+00 ppm1      8.817 ppm2      1.913
 ASSI (
   (( segid "    " and resid 81   and name H   ))
 )(
   (( segid "    " and resid 80   and name HA  ))
 )
      2.600     0.800     0.800 peak   643 weight  0.10000E+01 volume  0.11460E+01 ppm1      8.984 ppm2      4.795
 ASSI (
   (( segid "    " and resid 81   and name H   ))
 )(
   (( segid "    " and resid 81   and name HA  ))
 )
      2.700     0.900     0.900 peak   644 weight  0.10000E+01 volume  0.79300E+00 ppm1      8.974 ppm2      4.411
 ASSI (
   (( segid "    " and resid 81   and name H   ))
 )(
   (( segid "    " and resid 81   and name HB2 ))
 )
      2.600     0.800     0.800 peak   647 weight  0.10000E+01 volume  0.10630E+01 ppm1      8.980 ppm2      1.725
 ASSI (
   (( segid "    " and resid 87   and name H   ))
 )(
   (( segid "    " and resid 86   and name HA  ))
 )
      2.300     0.700     0.700 peak   665 weight  0.10000E+01 volume  0.22530E+01 ppm1      9.199 ppm2      5.267
 ASSI (
   (( segid "    " and resid 87   and name H   ))
 )(
   (( segid "    " and resid 87   and name HA  ))
 )
      2.900     1.100     1.100 peak   666 weight  0.10000E+01 volume  0.60300E+00 ppm1      9.198 ppm2      4.852
 ASSI (
   (( segid "    " and resid 87   and name H   ))
 )(
   (( segid "    " and resid 87   and name HB  ))
 )
      2.800     1.000     1.000 peak   667 weight  0.10000E+01 volume  0.68700E+00 ppm1      9.194 ppm2      3.855
 ASSI (
   (( segid "    " and resid 87   and name H   ))
 )(
   (( segid "    " and resid 86   and name HB2 ))
 )
      3.100     1.200     1.200 peak   669 weight  0.10000E+01 volume  0.34300E+00 ppm1      9.189 ppm2      2.501
 ASSI (
   (( segid "    " and resid 91   and name H   ))
 )(
   (( segid "    " and resid 37   and name H   ))
 )
      2.800     1.000     1.000 peak   671 weight  0.10000E+01 volume  0.65000E+00 ppm1      9.423 ppm2      9.107
 ASSI (
   (( segid "    " and resid 102  and name H   ))
 )(
   (( segid "    " and resid 103  and name H   ))
 )
      2.600     0.800     0.800 peak   680 weight  0.10000E+01 volume  0.98600E+00 ppm1      8.852 ppm2      7.777
 ASSI (
   (( segid "    " and resid 102  and name H   ))
 )(
   (( segid "    " and resid 100  and name HB3 ))
 )
      3.000     1.100     1.100 peak   685 weight  0.10000E+01 volume  0.46100E+00 ppm1      8.850 ppm2      1.494
 ASSI (
   (( segid "    " and resid 69   and name H   ))
 )(
   (( segid "    " and resid 68   and name HA  ))
 )
      2.200     0.600     0.600 peak   699 weight  0.10000E+01 volume  0.27520E+01 ppm1      8.522 ppm2      4.104
 ASSI (
   (( segid "    " and resid 41   and name H   ))
 )(
   (( segid "    " and resid 41   and name HA  ))
 )
      2.400     0.700     0.700 peak   710 weight  0.10000E+01 volume  0.15760E+01 ppm1      8.627 ppm2      4.493
 ASSI (
   (( segid "    " and resid 75   and name H   ))
 )(
   (( segid "    " and resid 75   and name HB  ))
 )
      2.500     0.800     0.800 peak   713 weight  0.10000E+01 volume  0.11630E+01 ppm1      8.854 ppm2      1.865
 ASSI (
   (( segid "    " and resid 75   and name H   ))
 )(
   (( segid "    " and resid 76   and name H   ))
 )
      3.000     1.100     1.100 peak   718 weight  0.10000E+01 volume  0.39800E+00 ppm1      8.854 ppm2      9.189
 ASSI (
   (( segid "    " and resid 112  and name H   ))
 )(
   (( segid "    " and resid 111  and name HA  ))
 )
      2.400     0.700     0.700 peak   720 weight  0.10000E+01 volume  0.19570E+01 ppm1      8.775 ppm2      4.776
 ASSI (
   (( segid "    " and resid 103  and name HD22))
 )(
   (( segid "    " and resid 103  and name HA  ))
 )
      2.700     0.900     0.900 peak   721 weight  0.10000E+01 volume  0.91400E+00 ppm1      7.763 ppm2      4.850
 ASSI (
   (( segid "    " and resid 11   and name H   ))
 )(
   (( segid "    " and resid 10   and name HB2 ))
 )
      3.300     1.400     1.400 peak   727 weight  0.10000E+01 volume  0.23300E+00 ppm1      7.944 ppm2      3.012
 ASSI (
   (( segid "    " and resid 11   and name H   ))
 )(
   (( segid "    " and resid 10   and name HB3 ))
 )
      3.300     1.400     1.400 peak   728 weight  0.10000E+01 volume  0.22300E+00 ppm1      7.945 ppm2      2.850
 ASSI (
   (( segid "    " and resid 8    and name H   ))
 )(
   (( segid "    " and resid 7    and name H   ))
 )
      3.500     1.500     1.500 peak   732 weight  0.10000E+01 volume  0.16700E+00 ppm1      8.463 ppm2      8.652
 ASSI (
   (( segid "    " and resid 13   and name H   ))
 )(
   (( segid "    " and resid 13   and name HD1 ))
 )
      3.000     1.100     1.100 peak   735 weight  0.10000E+01 volume  0.48400E+00 ppm1      8.941 ppm2      7.173
 ASSI (
   (( segid "    " and resid 10   and name HD22))
 )(
   (( segid "    " and resid 10   and name HB2 ))
 )
      2.900     1.100     1.100 peak   743 weight  0.10000E+01 volume  0.50800E+00 ppm1      6.948 ppm2      3.012
 ASSI (
   (( segid "    " and resid 10   and name HD21))
 )(
   (( segid "    " and resid 10   and name H   ))
 )
      3.100     1.200     1.200 peak   744 weight  0.10000E+01 volume  0.31100E+00 ppm1      7.676 ppm2      8.198
 ASSI (
   (( segid "    " and resid 96   and name H   ))
 )(
   (( segid "    " and resid 95   and name HD3 ))
 )
      3.100     1.200     1.200 peak   746 weight  0.10000E+01 volume  0.36800E+00 ppm1      7.814 ppm2      4.053
 ASSI (
   (( segid "    " and resid 29   and name HD22))
 )(
   (( segid "    " and resid 29   and name HB2 ))
 )
      2.700     0.900     0.900 peak   747 weight  0.10000E+01 volume  0.78500E+00 ppm1      7.100 ppm2      3.011
 ASSI (
   (( segid "    " and resid 11   and name H   ))
 )(
   (( segid "    " and resid 11   and name HA  ))
 )
      2.900     1.100     1.100 peak   748 weight  0.10000E+01 volume  0.58800E+00 ppm1      7.942 ppm2      4.937
 ASSI (
   (( segid "    " and resid 11   and name H   ))
 )(
   (( segid "    " and resid 10   and name HA  ))
 )
      2.500     0.800     0.800 peak   749 weight  0.10000E+01 volume  0.15180E+01 ppm1      7.944 ppm2      4.762
 ASSI (
   (( segid "    " and resid 111  and name HD21))
 )(
   (( segid "    " and resid 111  and name HB2 ))
 )
      2.700     0.900     0.900 peak   756 weight  0.10000E+01 volume  0.72200E+00 ppm1      7.678 ppm2      2.734
 ASSI (
   (( segid "    " and resid 111  and name HD22))
 )(
   (( segid "    " and resid 111  and name HB2 ))
 )
      3.100     1.200     1.200 peak   757 weight  0.10000E+01 volume  0.37600E+00 ppm1      6.672 ppm2      2.726
 ASSI (
   (( segid "    " and resid 51   and name H   ))
 )(
   (( segid "    " and resid 52   and name H   ))
 )
      2.400     0.700     0.700 peak   761 weight  0.10000E+01 volume  0.15580E+01 ppm1      7.588 ppm2      8.282
 ASSI (
   (( segid "    " and resid 106  and name H   ))
 )(
   (( segid "    " and resid 106  and name HB2 ))
 )
      3.000     1.100     1.100 peak   763 weight  0.10000E+01 volume  0.39500E+00 ppm1      8.450 ppm2      2.702
 ASSI (
   (( segid "    " and resid 93   and name H   ))
 )(
   (( segid "    " and resid 92   and name HD2 ))
 )
      3.100     1.200     1.200 peak   764 weight  0.10000E+01 volume  0.43500E+00 ppm1      8.209 ppm2      5.727
 ASSI (
   (( segid "    " and resid 14   and name H   ))
 )(
   (( segid "    " and resid 110  and name H   ))
 )
      3.000     1.100     1.100 peak   774 weight  0.10000E+01 volume  0.41800E+00 ppm1      8.827 ppm2      9.052
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY  -2           HT2      GLY  -2   5.531   9.059  23.040
    2    H2   GLY  -2           HT1      GLY  -2   6.294  10.274  23.936
    3    H3   GLY  -2           HT3      GLY  -2   7.209   9.025  23.253
    4   1HA   GLY  -2           HA2      GLY  -2   6.947   8.667  25.620
    5   2HA   GLY  -2           HA3      GLY  -2   6.155   7.405  24.689
    6    H    SER  -1           H        SER  -1   3.816   8.596  23.934
    7    HA   SER  -1           HA       SER  -1   2.444   8.805  26.507
    8   1HB   SER  -1           HB2      SER  -1   1.082  10.708  25.701
    9   2HB   SER  -1           HB3      SER  -1   2.791  11.124  25.816
   10    HG   SER  -1           HG       SER  -1   1.161  11.050  23.632
   11    H    HIS   0           H        HIS   0   1.116   7.122  26.467
   12    HA   HIS   0           HA       HIS   0  -0.465   5.627  25.817
   13   1HB   HIS   0           HB2      HIS   0  -1.233   7.827  23.887
   14   2HB   HIS   0           HB3      HIS   0  -2.223   6.425  24.279
   15    HD1  HIS   0           HD1      HIS   0  -1.445   9.821  25.383
   16    HD2  HIS   0           HD2      HIS   0  -3.146   6.409  27.033
   17    HE1  HIS   0           HE1      HIS   0  -2.643  10.601  27.452
   18    HE2  HIS   0           HE2      HIS   0  -3.736   8.532  28.387
   19    H    MET   1           H        MET   1   0.660   3.951  24.974
   20    HA   MET   1           HA       MET   1   1.860   4.039  22.375
   21   1HB   MET   1           HB2      MET   1   1.338   1.693  24.209
   22   2HB   MET   1           HB3      MET   1   2.347   1.653  22.770
   23   1HG   MET   1           HG2      MET   1   2.844   3.311  25.232
   24   2HG   MET   1           HG3      MET   1   3.684   1.824  24.792
   25   1HE   MET   1           HE1      MET   1   5.293   1.599  22.692
   26   2HE   MET   1           HE3      MET   1   4.000   2.175  21.640
   27   3HE   MET   1           HE2      MET   1   5.602   2.908  21.552
   28    H    ILE   2           H        ILE   2   1.361   2.091  20.856
   29    HA   ILE   2           HA       ILE   2  -1.320   2.440  19.941
   30    HB   ILE   2           HB       ILE   2  -0.724   0.811  18.185
   31   1HG1  ILE   2          2HG1      ILE   2   1.956   0.679  19.587
   32   2HG1  ILE   2          3HG1      ILE   2   0.751  -0.604  19.609
   33   1HG2  ILE   2          1HG2      ILE   2  -0.204   3.173  17.892
   34   2HG2  ILE   2          3HG2      ILE   2   1.359   2.937  18.673
   35   3HG2  ILE   2          2HG2      ILE   2   1.021   2.162  17.125
   36   1HD1  ILE   2          1HD1      ILE   2   0.951  -0.831  17.187
   37   2HD1  ILE   2          3HD1      ILE   2   2.169   0.445  17.173
   38   3HD1  ILE   2          2HD1      ILE   2   2.496  -1.078  18.001
   39    H    ALA   3           H        ALA   3   0.306   0.107  21.915
   40    HA   ALA   3           HA       ALA   3  -0.379  -1.766  23.008
   41   1HB   ALA   3           HB2      ALA   3  -2.690  -1.837  23.763
   42   2HB   ALA   3           HB1      ALA   3  -2.032  -0.209  23.923
   43   3HB   ALA   3           HB3      ALA   3  -3.125  -0.592  22.593
   44    HA   PRO   4           HA       PRO   4  -1.332  -4.040  19.123
   45   1HB   PRO   4           HB2      PRO   4   0.437  -6.044  19.558
   46   2HB   PRO   4           HB3      PRO   4   0.908  -4.495  18.849
   47   1HG   PRO   4           HG2      PRO   4   1.181  -5.448  21.675
   48   2HG   PRO   4           HG3      PRO   4   2.353  -4.571  20.673
   49   1HD   PRO   4           HD2      PRO   4   0.821  -3.345  22.543
   50   2HD   PRO   4           HD3      PRO   4   1.344  -2.535  21.053
   51    H    LEU   5           H        LEU   5  -3.139  -5.207  19.186
   52    HA   LEU   5           HA       LEU   5  -3.952  -6.645  21.523
   53   1HB   LEU   5           HB2      LEU   5  -5.537  -5.487  20.017
   54   2HB   LEU   5           HB3      LEU   5  -5.153  -6.639  18.753
   55    HG   LEU   5           HG       LEU   5  -6.072  -8.458  20.143
   56   1HD1  LEU   5          3HD1      LEU   5  -6.821  -6.232  22.034
   57   2HD1  LEU   5          2HD1      LEU   5  -7.357  -7.907  22.153
   58   3HD1  LEU   5          1HD1      LEU   5  -5.649  -7.512  22.342
   59   1HD2  LEU   5          2HD2      LEU   5  -7.497  -7.333  18.517
   60   2HD2  LEU   5          1HD2      LEU   5  -8.422  -7.827  19.936
   61   3HD2  LEU   5          3HD2      LEU   5  -7.953  -6.138  19.733
   62    H    SER   6           H        SER   6  -4.223  -8.874  21.772
   63    HA   SER   6           HA       SER   6  -2.312 -10.470  20.284
   64   1HB   SER   6           HB2      SER   6  -4.065 -11.182  22.648
   65   2HB   SER   6           HB3      SER   6  -2.808 -12.212  21.965
   66    HG   SER   6           HG       SER   6  -1.329 -11.043  22.914
   67    H    VAL   7           H        VAL   7  -5.174  -9.533  19.400
   68    HA   VAL   7           HA       VAL   7  -6.118 -12.182  18.530
   69    HB   VAL   7           HB       VAL   7  -7.761  -9.657  18.462
   70   1HG1  VAL   7          3HG1      VAL   7  -8.467 -12.589  18.435
   71   2HG1  VAL   7          2HG1      VAL   7  -9.638 -11.274  18.521
   72   3HG1  VAL   7          1HG1      VAL   7  -8.614 -11.449  17.098
   73   1HG2  VAL   7          1HG2      VAL   7  -7.036  -9.993  20.764
   74   2HG2  VAL   7          3HG2      VAL   7  -8.757 -10.336  20.591
   75   3HG2  VAL   7          2HG2      VAL   7  -7.601 -11.663  20.709
   76    H    LYS   8           H        LYS   8  -4.208  -9.877  17.440
   77    HA   LYS   8           HA       LYS   8  -4.722 -10.489  14.688
   78   1HB   LYS   8           HB2      LYS   8  -4.756  -8.040  14.051
   79   2HB   LYS   8           HB3      LYS   8  -6.217  -8.665  14.795
   80   1HG   LYS   8           HG2      LYS   8  -6.071  -6.809  16.043
   81   2HG   LYS   8           HG3      LYS   8  -4.913  -7.761  16.976
   82   1HD   LYS   8           HD2      LYS   8  -3.078  -6.812  15.662
   83   2HD   LYS   8           HD3      LYS   8  -4.237  -5.859  14.733
   84   1HE   LYS   8           HE2      LYS   8  -4.921  -4.701  16.776
   85   2HE   LYS   8           HE3      LYS   8  -3.765  -5.656  17.705
   86   1HZ   LYS   8           HZ3      LYS   8  -1.974  -4.678  16.412
   87   2HZ   LYS   8           HZ2      LYS   8  -3.082  -3.761  15.521
   88   3HZ   LYS   8           HZ1      LYS   8  -2.884  -3.474  17.176
   89    H    ASP   9           H        ASP   9  -2.852 -10.698  13.688
   90    HA   ASP   9           HA       ASP   9  -0.488  -9.399  14.868
   91   1HB   ASP   9           HB2      ASP   9  -0.549 -11.911  15.000
   92   2HB   ASP   9           HB3      ASP   9  -0.518 -11.942  13.239
   93    H    ASN  10           H        ASN  10   0.202  -7.764  13.654
   94    HA   ASN  10           HA       ASN  10   0.080  -8.034  10.736
   95   1HB   ASN  10           HB2      ASN  10  -0.048  -5.351  11.091
   96   2HB   ASN  10           HB3      ASN  10  -1.449  -6.390  10.859
   97   1HD2  ASN  10          1HD2      ASN  10   0.352  -4.442  13.052
   98   2HD2  ASN  10          2HD2      ASN  10  -0.772  -4.490  14.364
   99    H    ASP  11           H        ASP  11   1.284  -5.299  12.483
  100    HA   ASP  11           HA       ASP  11   3.438  -4.575  11.244
  101   1HB   ASP  11           HB2      ASP  11   4.571  -4.280  13.593
  102   2HB   ASP  11           HB3      ASP  11   3.126  -3.372  13.165
  103    H    LYS  12           H        LYS  12   4.785  -5.760  10.148
  104    HA   LYS  12           HA       LYS  12   6.022  -8.124  11.330
  105   1HB   LYS  12           HB2      LYS  12   5.672  -7.077   8.572
  106   2HB   LYS  12           HB3      LYS  12   7.106  -8.047   8.881
  107   1HG   LYS  12           HG2      LYS  12   4.576  -9.161   9.886
  108   2HG   LYS  12           HG3      LYS  12   4.729  -9.059   8.131
  109   1HD   LYS  12           HD2      LYS  12   5.519 -11.216   8.911
  110   2HD   LYS  12           HD3      LYS  12   6.865 -10.276   8.265
  111   1HE   LYS  12           HE2      LYS  12   7.490 -11.416  10.331
  112   2HE   LYS  12           HE3      LYS  12   7.540  -9.665  10.527
  113   1HZ   LYS  12           HZ1      LYS  12   5.380  -9.763  11.610
  114   2HZ   LYS  12           HZ3      LYS  12   5.338 -11.445  11.426
  115   3HZ   LYS  12           HZ2      LYS  12   6.502 -10.731  12.424
  116    H    TRP  13           H        TRP  13   7.423  -7.211  12.819
  117    HA   TRP  13           HA       TRP  13   9.310  -5.191  12.141
  118   1HB   TRP  13           HB2      TRP  13   9.572  -7.043  14.487
  119   2HB   TRP  13           HB3      TRP  13  10.002  -5.344  14.357
  120    HD1  TRP  13           HD1      TRP  13   6.951  -7.612  14.845
  121    HE1  TRP  13           HE1      TRP  13   5.006  -6.204  15.767
  122    HE3  TRP  13           HE3      TRP  13   9.095  -2.977  14.568
  123    HZ2  TRP  13           HZ2      TRP  13   4.437  -3.486  16.295
  124    HZ3  TRP  13           HZ3      TRP  13   7.788  -1.029  15.310
  125    HH2  TRP  13           HH2      TRP  13   5.514  -1.280  16.161
  126    H    VAL  14           H        VAL  14  10.670  -5.739  10.491
  127    HA   VAL  14           HA       VAL  14  12.685  -7.748  11.100
  128    HB   VAL  14           HB       VAL  14  10.765  -8.957   9.964
  129   1HG1  VAL  14          3HG1      VAL  14  10.188  -7.245   8.338
  130   2HG1  VAL  14          2HG1      VAL  14  11.758  -7.445   7.561
  131   3HG1  VAL  14          1HG1      VAL  14  10.590  -8.765   7.541
  132   1HG2  VAL  14          1HG2      VAL  14  13.265  -9.617  10.034
  133   2HG2  VAL  14          3HG2      VAL  14  12.166 -10.472   8.952
  134   3HG2  VAL  14          2HG2      VAL  14  13.230  -9.220   8.314
  135    H    ASP  15           H        ASP  15  14.192  -7.943   9.090
  136    HA   ASP  15           HA       ASP  15  14.903  -5.207   8.334
  137   1HB   ASP  15           HB2      ASP  15  17.123  -6.018   7.998
  138   2HB   ASP  15           HB3      ASP  15  16.538  -6.727   9.504
  139    H    THR  16           H        THR  16  16.341  -5.426   6.089
  140    HA   THR  16           HA       THR  16  15.267  -7.109   4.083
  141    HB   THR  16           HB       THR  16  13.333  -5.484   4.612
  142    HG1  THR  16           HG1      THR  16  12.904  -6.497   2.785
  143   1HG2  THR  16          2HG2      THR  16  14.707  -3.437   4.619
  144   2HG2  THR  16          1HG2      THR  16  15.038  -3.676   2.904
  145   3HG2  THR  16          3HG2      THR  16  13.391  -3.357   3.447
  146    H    HIS  17           H        HIS  17  15.544  -5.781   1.811
  147    HA   HIS  17           HA       HIS  17  18.277  -4.683   1.884
  148   1HB   HIS  17           HB2      HIS  17  16.910  -6.561   0.005
  149   2HB   HIS  17           HB3      HIS  17  18.157  -5.496  -0.634
  150    HD1  HIS  17           HD1      HIS  17  20.540  -6.186  -0.255
  151    HD2  HIS  17           HD2      HIS  17  17.862  -8.370   2.052
  152    HE1  HIS  17           HE1      HIS  17  21.902  -8.014   0.807
  153    HE2  HIS  17           HE2      HIS  17  20.243  -9.375   2.128
  154    H    VAL  18           H        VAL  18  18.403  -3.701  -0.719
  155    HA   VAL  18           HA       VAL  18  16.632  -1.392  -0.457
  156    HB   VAL  18           HB       VAL  18  18.950  -1.744  -2.359
  157   1HG1  VAL  18          1HG1      VAL  18  17.416   0.700  -1.473
  158   2HG1  VAL  18          3HG1      VAL  18  18.860   0.717  -2.486
  159   3HG1  VAL  18          2HG1      VAL  18  17.379  -0.040  -3.072
  160   1HG2  VAL  18          2HG2      VAL  18  19.708  -1.914  -0.047
  161   2HG2  VAL  18          1HG2      VAL  18  20.244  -0.401  -0.778
  162   3HG2  VAL  18          3HG2      VAL  18  18.882  -0.405   0.343
  163    H    GLY  19           H        GLY  19  15.089  -0.837  -1.837
  164   1HA   GLY  19           HA3      GLY  19  14.854  -1.462  -4.534
  165   2HA   GLY  19           HA2      GLY  19  13.523  -1.017  -3.486
  166    H    LYS  20           H        LYS  20  14.355  -3.546  -1.859
  167    HA   LYS  20           HA       LYS  20  13.780  -5.754  -3.525
  168   1HB   LYS  20           HB2      LYS  20  14.643  -5.456  -0.947
  169   2HB   LYS  20           HB3      LYS  20  12.999  -6.007  -0.700
  170   1HG   LYS  20           HG2      LYS  20  14.208  -7.970  -0.728
  171   2HG   LYS  20           HG3      LYS  20  13.598  -7.859  -2.383
  172   1HD   LYS  20           HD2      LYS  20  15.668  -7.158  -3.216
  173   2HD   LYS  20           HD3      LYS  20  16.249  -6.724  -1.613
  174   1HE   LYS  20           HE2      LYS  20  15.720  -9.522  -2.609
  175   2HE   LYS  20           HE3      LYS  20  17.308  -8.778  -2.422
  176   1HZ   LYS  20           HZ3      LYS  20  16.901  -8.595  -0.046
  177   2HZ   LYS  20           HZ2      LYS  20  15.383  -9.317  -0.227
  178   3HZ   LYS  20           HZ1      LYS  20  16.783 -10.206  -0.553
  179    H    THR  21           H        THR  21  12.003  -4.971  -4.739
  180    HA   THR  21           HA       THR  21   9.604  -3.994  -3.892
  181    HB   THR  21           HB       THR  21   9.759  -6.067  -6.072
  182    HG1  THR  21           HG1      THR  21  11.381  -4.704  -6.633
  183   1HG2  THR  21          3HG2      THR  21   7.532  -5.224  -5.500
  184   2HG2  THR  21          2HG2      THR  21   8.095  -3.569  -5.726
  185   3HG2  THR  21          1HG2      THR  21   8.026  -4.671  -7.100
  186    H    THR  22           H        THR  22   8.683  -4.772  -2.073
  187    HA   THR  22           HA       THR  22   8.166  -7.637  -1.842
  188    HB   THR  22           HB       THR  22   7.705  -5.381   0.123
  189    HG1  THR  22           HG1      THR  22   9.633  -5.884   0.850
  190   1HG2  THR  22          2HG2      THR  22   6.054  -7.155   0.447
  191   2HG2  THR  22          1HG2      THR  22   7.344  -8.356   0.496
  192   3HG2  THR  22          3HG2      THR  22   7.225  -7.138   1.766
  193    H    GLU  23           H        GLU  23   6.542  -8.153  -3.155
  194    HA   GLU  23           HA       GLU  23   4.192  -6.544  -3.443
  195   1HB   GLU  23           HB2      GLU  23   5.157  -7.880  -5.286
  196   2HB   GLU  23           HB3      GLU  23   4.795  -9.349  -4.388
  197   1HG   GLU  23           HG2      GLU  23   2.464  -9.010  -4.594
  198   2HG   GLU  23           HG3      GLU  23   2.700  -7.365  -5.184
  199    H    ILE  24           H        ILE  24   2.329  -6.728  -2.388
  200    HA   ILE  24           HA       ILE  24   1.861  -9.125  -0.762
  201    HB   ILE  24           HB       ILE  24   1.345  -6.317   0.179
  202   1HG1  ILE  24          2HG1      ILE  24   3.507  -8.263   0.996
  203   2HG1  ILE  24          3HG1      ILE  24   3.751  -6.781   0.079
  204   1HG2  ILE  24          1HG2      ILE  24  -0.207  -8.021   1.037
  205   2HG2  ILE  24          3HG2      ILE  24   1.167  -8.945   1.646
  206   3HG2  ILE  24          2HG2      ILE  24   0.813  -7.349   2.310
  207   1HD1  ILE  24          2HD1      ILE  24   2.980  -5.478   1.999
  208   2HD1  ILE  24          1HD1      ILE  24   2.784  -6.969   2.920
  209   3HD1  ILE  24          3HD1      ILE  24   4.388  -6.469   2.384
  210    H    HIS  25           H        HIS  25   0.196  -9.987  -1.847
  211    HA   HIS  25           HA       HIS  25  -1.992  -8.349  -2.795
  212   1HB   HIS  25           HB2      HIS  25  -1.991 -11.353  -2.724
  213   2HB   HIS  25           HB3      HIS  25  -2.811 -10.281  -3.845
  214    HD1  HIS  25           HD1      HIS  25  -0.110 -12.525  -3.796
  215    HD2  HIS  25           HD2      HIS  25  -0.672  -8.737  -5.404
  216    HE1  HIS  25           HE1      HIS  25   1.627 -12.297  -5.599
  217    HE2  HIS  25           HE2      HIS  25   1.175 -10.051  -6.647
  218    H    LEU  26           H        LEU  26  -3.040  -7.528  -1.040
  219    HA   LEU  26           HA       LEU  26  -3.819  -9.315   1.133
  220   1HB   LEU  26           HB2      LEU  26  -4.291  -6.358   0.838
  221   2HB   LEU  26           HB3      LEU  26  -4.539  -7.306   2.288
  222    HG   LEU  26           HG       LEU  26  -1.805  -7.181   1.081
  223   1HD1  LEU  26          3HD1      LEU  26  -2.532  -4.856   1.170
  224   2HD1  LEU  26          2HD1      LEU  26  -3.015  -5.063   2.854
  225   3HD1  LEU  26          1HD1      LEU  26  -1.314  -5.184   2.404
  226   1HD2  LEU  26          2HD2      LEU  26  -2.419  -8.693   2.996
  227   2HD2  LEU  26          1HD2      LEU  26  -1.087  -7.580   3.309
  228   3HD2  LEU  26          3HD2      LEU  26  -2.691  -7.239   3.959
  229    H    LYS  27           H        LYS  27  -5.918  -9.811   1.613
  230    HA   LYS  27           HA       LYS  27  -7.851  -9.228  -0.510
  231   1HB   LYS  27           HB2      LYS  27  -7.975 -11.344   1.639
  232   2HB   LYS  27           HB3      LYS  27  -9.109 -11.148   0.312
  233   1HG   LYS  27           HG2      LYS  27  -7.498 -11.780  -1.294
  234   2HG   LYS  27           HG3      LYS  27  -6.182 -11.671  -0.126
  235   1HD   LYS  27           HD2      LYS  27  -7.140 -13.552   1.121
  236   2HD   LYS  27           HD3      LYS  27  -8.457 -13.656  -0.049
  237   1HE   LYS  27           HE2      LYS  27  -5.526 -14.049  -0.641
  238   2HE   LYS  27           HE3      LYS  27  -6.733 -15.327  -0.499
  239   1HZ   LYS  27           HZ3      LYS  27  -6.743 -13.161  -2.533
  240   2HZ   LYS  27           HZ2      LYS  27  -6.298 -14.771  -2.807
  241   3HZ   LYS  27           HZ1      LYS  27  -7.896 -14.394  -2.398
  242    H    GLY  28           H        GLY  28 -10.171  -9.113   0.284
  243   1HA   GLY  28           HA3      GLY  28 -10.371  -6.855   1.999
  244   2HA   GLY  28           HA2      GLY  28 -10.899  -8.308   2.828
  245    H    ASN  29           H        ASN  29 -12.124  -5.740   1.478
  246    HA   ASN  29           HA       ASN  29 -13.917  -6.627  -0.499
  247   1HB   ASN  29           HB2      ASN  29 -14.817  -7.963   1.400
  248   2HB   ASN  29           HB3      ASN  29 -15.123  -6.463   2.273
  249   1HD2  ASN  29          1HD2      ASN  29 -17.321  -6.805   2.377
  250   2HD2  ASN  29          2HD2      ASN  29 -18.350  -6.677   0.995
  251    HA   PRO  30           HA       PRO  30 -13.310  -2.054  -0.251
  252   1HB   PRO  30           HB2      PRO  30 -14.569  -2.497  -2.923
  253   2HB   PRO  30           HB3      PRO  30 -13.226  -1.438  -2.475
  254   1HG   PRO  30           HG2      PRO  30 -12.770  -3.743  -3.715
  255   2HG   PRO  30           HG3      PRO  30 -11.701  -3.191  -2.413
  256   1HD   PRO  30           HD2      PRO  30 -13.781  -5.319  -2.383
  257   2HD   PRO  30           HD3      PRO  30 -12.241  -5.234  -1.511
  258    H    THR  31           H        THR  31 -16.105  -4.046  -0.762
  259    HA   THR  31           HA       THR  31 -17.914  -1.760  -0.526
  260    HB   THR  31           HB       THR  31 -19.711  -3.377  -1.002
  261    HG1  THR  31           HG1      THR  31 -18.535  -5.485  -1.871
  262   1HG2  THR  31          2HG2      THR  31 -18.601  -2.225  -2.858
  263   2HG2  THR  31          1HG2      THR  31 -17.411  -3.523  -2.954
  264   3HG2  THR  31          3HG2      THR  31 -19.104  -3.849  -3.326
  265    H    THR  32           H        THR  32 -16.250  -2.836   1.734
  266    HA   THR  32           HA       THR  32 -18.388  -3.748   3.533
  267    HB   THR  32           HB       THR  32 -16.247  -5.088   3.394
  268    HG1  THR  32           HG1      THR  32 -17.075  -5.642   5.261
  269   1HG2  THR  32          3HG2      THR  32 -14.715  -3.132   3.287
  270   2HG2  THR  32          2HG2      THR  32 -15.114  -2.771   4.965
  271   3HG2  THR  32          1HG2      THR  32 -14.293  -4.278   4.560
  272    H    GLY  33           H        GLY  33 -16.014  -1.208   3.046
  273   1HA   GLY  33           HA3      GLY  33 -16.973   0.143   5.479
  274   2HA   GLY  33           HA2      GLY  33 -17.062   0.974   3.934
  275    H    TYR  34           H        TYR  34 -14.483  -1.097   5.239
  276    HA   TYR  34           HA       TYR  34 -12.766   1.223   5.588
  277   1HB   TYR  34           HB2      TYR  34 -12.357  -1.702   6.211
  278   2HB   TYR  34           HB3      TYR  34 -11.125  -0.470   6.468
  279    HD1  TYR  34           HD1      TYR  34 -14.530  -1.528   7.476
  280    HD2  TYR  34           HD2      TYR  34 -11.138   0.872   8.428
  281    HE1  TYR  34           HE1      TYR  34 -15.482  -1.068   9.696
  282    HE2  TYR  34           HE2      TYR  34 -12.087   1.333  10.647
  283    HH   TYR  34           HH       TYR  34 -14.289   1.355  11.743
  284    H    MET  35           H        MET  35 -10.319   0.517   5.000
  285    HA   MET  35           HA       MET  35 -10.137  -0.557   2.318
  286   1HB   MET  35           HB2      MET  35 -10.428   1.651   1.661
  287   2HB   MET  35           HB3      MET  35  -9.694   2.289   3.127
  288   1HG   MET  35           HG2      MET  35  -7.504   1.417   2.282
  289   2HG   MET  35           HG3      MET  35  -8.319   1.083   0.770
  290   1HE   MET  35           HE3      MET  35  -6.377   2.537  -0.341
  291   2HE   MET  35           HE2      MET  35  -7.924   2.720  -1.167
  292   3HE   MET  35           HE1      MET  35  -6.915   4.134  -0.862
  293    H    TRP  36           H        TRP  36  -7.996  -1.135   1.779
  294    HA   TRP  36           HA       TRP  36  -6.189  -1.251   4.095
  295   1HB   TRP  36           HB2      TRP  36  -6.905  -3.183   2.009
  296   2HB   TRP  36           HB3      TRP  36  -5.181  -3.044   2.305
  297    HD1  TRP  36           HD1      TRP  36  -7.932  -5.079   3.358
  298    HE1  TRP  36           HE1      TRP  36  -7.562  -6.105   5.689
  299    HE3  TRP  36           HE3      TRP  36  -4.073  -2.123   4.935
  300    HZ2  TRP  36           HZ2      TRP  36  -5.858  -5.709   7.904
  301    HZ3  TRP  36           HZ3      TRP  36  -3.132  -2.511   7.168
  302    HH2  TRP  36           HH2      TRP  36  -4.007  -4.265   8.623
  303    H    THR  37           H        THR  37  -5.184   0.721   3.781
  304    HA   THR  37           HA       THR  37  -3.321   0.772   1.515
  305    HB   THR  37           HB       THR  37  -5.327   2.196   0.978
  306    HG1  THR  37           HG1      THR  37  -3.236   2.610   0.071
  307   1HG2  THR  37          3HG2      THR  37  -4.232   3.872   3.241
  308   2HG2  THR  37          2HG2      THR  37  -5.488   4.376   2.108
  309   3HG2  THR  37          1HG2      THR  37  -5.786   3.038   3.218
  310    H    ARG  38           H        ARG  38  -2.099   3.246   2.082
  311    HA   ARG  38           HA       ARG  38  -0.779   2.574   4.593
  312   1HB   ARG  38           HB2      ARG  38  -0.040   4.163   2.186
  313   2HB   ARG  38           HB3      ARG  38   0.687   4.608   3.714
  314   1HG   ARG  38           HG2      ARG  38   1.697   2.500   3.963
  315   2HG   ARG  38           HG3      ARG  38   0.801   1.846   2.589
  316   1HD   ARG  38           HD2      ARG  38   3.215   2.533   2.190
  317   2HD   ARG  38           HD3      ARG  38   2.034   3.096   1.045
  318    HE   ARG  38           HE       ARG  38   2.209   5.272   2.061
  319   1HH1  ARG  38          1HH1      ARG  38   4.578   2.932   3.086
  320   2HH1  ARG  38          2HH1      ARG  38   5.750   4.124   3.545
  321   1HH2  ARG  38          1HH2      ARG  38   3.764   6.851   2.643
  322   2HH2  ARG  38          2HH2      ARG  38   5.285   6.347   3.296
  323    H    VAL  39           H        VAL  39  -1.177   3.604   6.418
  324    HA   VAL  39           HA       VAL  39  -3.150   5.501   6.771
  325    HB   VAL  39           HB       VAL  39  -2.401   4.269   8.664
  326   1HG1  VAL  39          1HG1      VAL  39  -0.086   3.952   7.860
  327   2HG1  VAL  39          3HG1      VAL  39   0.287   5.596   8.379
  328   3HG1  VAL  39          2HG1      VAL  39  -0.174   4.380   9.570
  329   1HG2  VAL  39          3HG2      VAL  39  -3.213   6.524   9.154
  330   2HG2  VAL  39          2HG2      VAL  39  -1.998   6.006  10.322
  331   3HG2  VAL  39          1HG2      VAL  39  -1.565   7.141   9.043
  332    H    GLY  40           H        GLY  40  -3.218   7.721   6.949
  333   1HA   GLY  40           HA3      GLY  40  -0.798   9.295   6.691
  334   2HA   GLY  40           HA2      GLY  40  -2.435   9.914   6.873
  335    H    PHE  41           H        PHE  41  -2.428   7.591   4.520
  336    HA   PHE  41           HA       PHE  41  -2.235   9.610   2.387
  337   1HB   PHE  41           HB2      PHE  41  -1.380   6.720   2.145
  338   2HB   PHE  41           HB3      PHE  41  -1.200   7.980   0.929
  339    HD1  PHE  41           HD1      PHE  41   0.282   6.322   3.690
  340    HD2  PHE  41           HD2      PHE  41   0.283   9.978   1.522
  341    HE1  PHE  41           HE1      PHE  41   2.482   6.882   4.644
  342    HE2  PHE  41           HE2      PHE  41   2.486  10.544   2.461
  343    HZ   PHE  41           HZ       PHE  41   3.587   8.995   4.028
  344    H    VAL  42           H        VAL  42  -4.165   7.612   4.060
  345    HA   VAL  42           HA       VAL  42  -5.706   6.202   2.244
  346    HB   VAL  42           HB       VAL  42  -6.748   7.612   4.708
  347   1HG1  VAL  42          1HG1      VAL  42  -8.425   6.661   3.115
  348   2HG1  VAL  42          3HG1      VAL  42  -7.709   5.075   3.404
  349   3HG1  VAL  42          2HG1      VAL  42  -8.463   5.958   4.732
  350   1HG2  VAL  42          1HG2      VAL  42  -4.646   6.138   4.927
  351   2HG2  VAL  42          3HG2      VAL  42  -5.997   5.860   6.023
  352   3HG2  VAL  42          2HG2      VAL  42  -5.751   4.794   4.642
  353    H    GLY  43           H        GLY  43  -6.430   7.048   0.392
  354   1HA   GLY  43           HA3      GLY  43  -8.024   9.531   0.556
  355   2HA   GLY  43           HA2      GLY  43  -8.370   8.209  -0.550
  356    H    LYS  44           H        LYS  44  -5.129   9.332   0.087
  357    HA   LYS  44           HA       LYS  44  -4.914  11.163  -2.047
  358   1HB   LYS  44           HB2      LYS  44  -2.783   9.566  -0.617
  359   2HB   LYS  44           HB3      LYS  44  -2.482  10.929  -1.678
  360   1HG   LYS  44           HG2      LYS  44  -3.762  12.376  -0.150
  361   2HG   LYS  44           HG3      LYS  44  -3.977  10.997   0.932
  362   1HD   LYS  44           HD2      LYS  44  -2.157  12.107   1.855
  363   2HD   LYS  44           HD3      LYS  44  -1.400  10.844   0.882
  364   1HE   LYS  44           HE2      LYS  44  -1.833  13.685  -0.035
  365   2HE   LYS  44           HE3      LYS  44  -0.326  13.074   0.649
  366   1HZ   LYS  44           HZ2      LYS  44  -0.283  11.431  -1.186
  367   2HZ   LYS  44           HZ1      LYS  44  -1.622  12.203  -1.873
  368   3HZ   LYS  44           HZ3      LYS  44  -0.156  13.033  -1.710
  369    H    ASP  45           H        ASP  45  -3.102  10.740  -3.772
  370    HA   ASP  45           HA       ASP  45  -4.001   8.483  -5.334
  371   1HB   ASP  45           HB2      ASP  45  -2.159  10.805  -5.901
  372   2HB   ASP  45           HB3      ASP  45  -2.463   9.519  -7.057
  373    H    VAL  46           H        VAL  46  -1.028   9.632  -3.813
  374    HA   VAL  46           HA       VAL  46   0.139   6.962  -4.248
  375    HB   VAL  46           HB       VAL  46   1.390   9.658  -4.550
  376   1HG1  VAL  46          1HG1      VAL  46   2.862   7.160  -3.719
  377   2HG1  VAL  46          3HG1      VAL  46   3.635   8.598  -4.387
  378   3HG1  VAL  46          2HG1      VAL  46   2.782   8.690  -2.846
  379   1HG2  VAL  46          1HG2      VAL  46   0.645   8.372  -6.504
  380   2HG2  VAL  46          3HG2      VAL  46   2.391   8.622  -6.500
  381   3HG2  VAL  46          2HG2      VAL  46   1.724   7.057  -6.032
  382    H    LEU  47           H        LEU  47   0.821   5.909  -2.530
  383    HA   LEU  47           HA       LEU  47   0.468   7.088   0.084
  384   1HB   LEU  47           HB2      LEU  47   1.568   4.359  -0.416
  385   2HB   LEU  47           HB3      LEU  47   0.593   4.921   0.922
  386    HG   LEU  47           HG       LEU  47  -0.404   4.494  -1.898
  387   1HD1  LEU  47          2HD1      LEU  47  -0.758   2.846   0.603
  388   2HD1  LEU  47          1HD1      LEU  47  -1.641   2.598  -0.904
  389   3HD1  LEU  47          3HD1      LEU  47   0.109   2.379  -0.861
  390   1HD2  LEU  47          1HD2      LEU  47  -1.863   5.227   0.637
  391   2HD2  LEU  47          3HD2      LEU  47  -1.636   6.251  -0.782
  392   3HD2  LEU  47          2HD2      LEU  47  -2.629   4.797  -0.892
  393    H    SER  48           H        SER  48   3.077   5.469  -1.681
  394    HA   SER  48           HA       SER  48   5.165   5.812   0.069
  395   1HB   SER  48           HB2      SER  48   6.605   5.465  -1.812
  396   2HB   SER  48           HB3      SER  48   5.148   4.519  -2.092
  397    HG   SER  48           HG       SER  48   5.249   5.542  -3.947
  398    H    ASP  49           H        ASP  49   7.194   7.234  -0.718
  399    HA   ASP  49           HA       ASP  49   6.486   9.920  -1.496
  400   1HB   ASP  49           HB2      ASP  49   7.321   9.288   1.331
  401   2HB   ASP  49           HB3      ASP  49   7.535  10.887   0.622
  402    H    GLU  50           H        GLU  50   9.133   9.070   0.639
  403    HA   GLU  50           HA       GLU  50  11.007   9.158  -1.619
  404   1HB   GLU  50           HB2      GLU  50  12.471  10.635  -0.376
  405   2HB   GLU  50           HB3      GLU  50  10.876  11.365  -0.518
  406   1HG   GLU  50           HG2      GLU  50  10.346  10.641   1.758
  407   2HG   GLU  50           HG3      GLU  50  11.967   9.962   1.907
  408    H    ILE  51           H        ILE  51  10.236   8.096   1.610
  409    HA   ILE  51           HA       ILE  51  12.689   6.718   2.104
  410    HB   ILE  51           HB       ILE  51  10.028   6.186   3.412
  411   1HG1  ILE  51          2HG1      ILE  51  10.566   8.617   3.390
  412   2HG1  ILE  51          3HG1      ILE  51  10.530   7.922   5.004
  413   1HG2  ILE  51          1HG2      ILE  51  12.870   5.844   4.352
  414   2HG2  ILE  51          3HG2      ILE  51  11.436   5.588   5.347
  415   3HG2  ILE  51          2HG2      ILE  51  11.729   4.563   3.943
  416   1HD1  ILE  51          3HD1      ILE  51  13.027   8.450   3.413
  417   2HD1  ILE  51          2HD1      ILE  51  12.385   9.499   4.677
  418   3HD1  ILE  51          1HD1      ILE  51  12.941   7.873   5.078
  419    H    LEU  52           H        LEU  52   9.450   5.284   1.978
  420    HA   LEU  52           HA       LEU  52  10.606   2.952   0.614
  421   1HB   LEU  52           HB2      LEU  52   8.340   3.348   2.496
  422   2HB   LEU  52           HB3      LEU  52   8.183   2.074   1.302
  423    HG   LEU  52           HG       LEU  52  10.500   2.290   3.214
  424   1HD1  LEU  52          2HD1      LEU  52   7.997   0.626   3.420
  425   2HD1  LEU  52          1HD1      LEU  52   9.411   0.481   4.465
  426   3HD1  LEU  52          3HD1      LEU  52   8.455   1.963   4.476
  427   1HD2  LEU  52          1HD2      LEU  52  10.878   1.036   1.111
  428   2HD2  LEU  52          3HD2      LEU  52  10.980   0.029   2.555
  429   3HD2  LEU  52          2HD2      LEU  52   9.536  -0.024   1.544
  430    H    GLU  53           H        GLU  53  10.321   2.890  -1.527
  431    HA   GLU  53           HA       GLU  53   8.347   4.412  -2.891
  432   1HB   GLU  53           HB2      GLU  53  10.527   2.592  -3.593
  433   2HB   GLU  53           HB3      GLU  53   9.145   2.451  -4.671
  434   1HG   GLU  53           HG2      GLU  53   9.964   5.193  -4.072
  435   2HG   GLU  53           HG3      GLU  53  11.155   4.235  -4.947
  436    H    VAL  54           H        VAL  54   6.600   3.532  -1.446
  437    HA   VAL  54           HA       VAL  54   5.686   0.865  -1.850
  438    HB   VAL  54           HB       VAL  54   4.051   3.148  -0.771
  439   1HG1  VAL  54          3HG1      VAL  54   2.839   1.098  -1.297
  440   2HG1  VAL  54          2HG1      VAL  54   3.959   0.172  -0.299
  441   3HG1  VAL  54          1HG1      VAL  54   2.899   1.369   0.445
  442   1HG2  VAL  54          2HG2      VAL  54   6.199   1.524   0.539
  443   2HG2  VAL  54          1HG2      VAL  54   5.953   3.269   0.568
  444   3HG2  VAL  54          3HG2      VAL  54   4.874   2.210   1.478
  445    H    VAL  55           H        VAL  55   5.523   0.729  -4.137
  446    HA   VAL  55           HA       VAL  55   3.573   2.363  -5.500
  447    HB   VAL  55           HB       VAL  55   4.899  -0.148  -6.505
  448   1HG1  VAL  55          2HG1      VAL  55   2.860   0.679  -7.682
  449   2HG1  VAL  55          1HG1      VAL  55   3.734   2.169  -8.036
  450   3HG1  VAL  55          3HG1      VAL  55   4.309   0.634  -8.689
  451   1HG2  VAL  55          3HG2      VAL  55   6.606   1.464  -5.834
  452   2HG2  VAL  55          2HG2      VAL  55   6.540   1.321  -7.591
  453   3HG2  VAL  55          1HG2      VAL  55   5.812   2.715  -6.790
  454    H    CYS  56           H        CYS  56   1.747   1.931  -4.301
  455    HA   CYS  56           HA       CYS  56   0.716  -0.809  -4.340
  456   1HB   CYS  56           HB2      CYS  56   0.755   0.132  -2.133
  457   2HB   CYS  56           HB3      CYS  56  -0.061   1.592  -2.684
  458    HG   CYS  56           HG       CYS  56  -2.109   0.506  -1.424
  459    H    LYS  57           H        LYS  57  -1.214  -1.332  -5.212
  460    HA   LYS  57           HA       LYS  57  -2.728   0.770  -6.584
  461   1HB   LYS  57           HB2      LYS  57  -2.184  -1.934  -7.792
  462   2HB   LYS  57           HB3      LYS  57  -2.949  -0.555  -8.562
  463   1HG   LYS  57           HG2      LYS  57  -0.086  -0.569  -7.641
  464   2HG   LYS  57           HG3      LYS  57  -0.597  -0.991  -9.277
  465   1HD   LYS  57           HD2      LYS  57  -1.599   1.226  -9.537
  466   2HD   LYS  57           HD3      LYS  57  -1.095   1.648  -7.899
  467   1HE   LYS  57           HE2      LYS  57   1.244   1.362  -8.540
  468   2HE   LYS  57           HE3      LYS  57   0.748   0.922 -10.174
  469   1HZ   LYS  57           HZ1      LYS  57   0.256   3.545  -8.870
  470   2HZ   LYS  57           HZ3      LYS  57   1.430   3.234 -10.047
  471   3HZ   LYS  57           HZ2      LYS  57  -0.211   3.121 -10.439
  472    H    TYR  58           H        TYR  58  -4.654   0.775  -5.713
  473    HA   TYR  58           HA       TYR  58  -5.750  -1.557  -4.413
  474   1HB   TYR  58           HB2      TYR  58  -5.995   0.820  -3.547
  475   2HB   TYR  58           HB3      TYR  58  -7.109   1.107  -4.881
  476    HD1  TYR  58           HD1      TYR  58  -7.198   0.849  -1.589
  477    HD2  TYR  58           HD2      TYR  58  -8.752  -1.294  -4.938
  478    HE1  TYR  58           HE1      TYR  58  -9.075   0.031  -0.218
  479    HE2  TYR  58           HE2      TYR  58 -10.607  -2.131  -3.569
  480    HH   TYR  58           HH       TYR  58 -11.069  -2.501  -1.123
  481    H    THR  59           H        THR  59  -6.405  -3.100  -5.795
  482    HA   THR  59           HA       THR  59  -7.942  -2.325  -8.173
  483    HB   THR  59           HB       THR  59  -6.887  -5.078  -7.519
  484    HG1  THR  59           HG1      THR  59  -5.230  -4.343  -9.151
  485   1HG2  THR  59          3HG2      THR  59  -8.656  -4.939  -9.229
  486   2HG2  THR  59          2HG2      THR  59  -7.674  -3.789 -10.137
  487   3HG2  THR  59          1HG2      THR  59  -7.113  -5.447  -9.917
  488    HA   PRO  60           HA       PRO  60 -11.453  -4.085  -5.956
  489   1HB   PRO  60           HB2      PRO  60 -13.241  -2.297  -6.764
  490   2HB   PRO  60           HB3      PRO  60 -11.976  -1.835  -5.625
  491   1HG   PRO  60           HG2      PRO  60 -12.260  -1.184  -8.503
  492   2HG   PRO  60           HG3      PRO  60 -11.442  -0.276  -7.220
  493   1HD   PRO  60           HD2      PRO  60 -10.290  -2.071  -9.137
  494   2HD   PRO  60           HD3      PRO  60  -9.469  -1.154  -7.858
  495    H    THR  61           H        THR  61 -10.478  -5.253  -8.398
  496    HA   THR  61           HA       THR  61 -12.000  -5.326 -10.622
  497    HB   THR  61           HB       THR  61 -11.406  -8.026  -9.594
  498    HG1  THR  61           HG1      THR  61  -9.213  -7.708  -9.491
  499   1HG2  THR  61          1HG2      THR  61 -10.621  -6.481 -12.065
  500   2HG2  THR  61          3HG2      THR  61 -10.220  -8.172 -11.767
  501   3HG2  THR  61          2HG2      THR  61 -11.906  -7.682 -11.935
  502    HA   PRO  62           HA       PRO  62 -16.141  -6.466  -9.521
  503   1HB   PRO  62           HB2      PRO  62 -16.314  -7.722 -12.183
  504   2HB   PRO  62           HB3      PRO  62 -17.251  -6.387 -11.508
  505   1HG   PRO  62           HG2      PRO  62 -15.403  -5.986 -13.409
  506   2HG   PRO  62           HG3      PRO  62 -15.684  -4.804 -12.117
  507   1HD   PRO  62           HD2      PRO  62 -13.491  -6.825 -12.396
  508   2HD   PRO  62           HD3      PRO  62 -13.414  -5.146 -11.820
  509    H    SER  63           H        SER  63 -17.640  -8.488  -9.976
  510    HA   SER  63           HA       SER  63 -16.455 -10.676  -8.619
  511   1HB   SER  63           HB2      SER  63 -19.090 -10.539 -10.107
  512   2HB   SER  63           HB3      SER  63 -18.619 -11.799  -8.965
  513    HG   SER  63           HG       SER  63 -19.116  -9.062  -8.451
  514    H    SER  64           H        SER  64 -17.280 -12.972  -9.748
  515    HA   SER  64           HA       SER  64 -15.299 -13.498 -11.676
  516   1HB   SER  64           HB2      SER  64 -17.743 -15.132 -10.948
  517   2HB   SER  64           HB3      SER  64 -16.360 -15.722 -11.870
  518    HG   SER  64           HG       SER  64 -16.337 -14.782  -9.191
  519    H    THR  65           H        THR  65 -18.797 -13.964 -12.172
  520    HA   THR  65           HA       THR  65 -18.409 -13.259 -14.985
  521    HB   THR  65           HB       THR  65 -20.753 -14.671 -13.713
  522    HG1  THR  65           HG1      THR  65 -18.665 -15.711 -15.355
  523   1HG2  THR  65          2HG2      THR  65 -20.055 -14.210 -16.617
  524   2HG2  THR  65          1HG2      THR  65 -21.396 -15.192 -16.026
  525   3HG2  THR  65          3HG2      THR  65 -21.382 -13.453 -15.736
  526    HA   PRO  66           HA       PRO  66 -22.208 -10.566 -13.663
  527   1HB   PRO  66           HB2      PRO  66 -22.088 -10.473 -10.738
  528   2HB   PRO  66           HB3      PRO  66 -23.451 -10.871 -11.787
  529   1HG   PRO  66           HG2      PRO  66 -22.224 -12.731 -10.271
  530   2HG   PRO  66           HG3      PRO  66 -22.907 -13.112 -11.862
  531   1HD   PRO  66           HD2      PRO  66 -20.053 -12.570 -11.109
  532   2HD   PRO  66           HD3      PRO  66 -20.708 -13.835 -12.172
  533    H    MET  67           H        MET  67 -22.368  -8.544 -11.803
  534    HA   MET  67           HA       MET  67 -19.707  -7.350 -11.606
  535   1HB   MET  67           HB2      MET  67 -22.036  -6.040 -13.027
  536   2HB   MET  67           HB3      MET  67 -20.534  -5.229 -12.605
  537   1HG   MET  67           HG2      MET  67 -19.298  -6.763 -14.049
  538   2HG   MET  67           HG3      MET  67 -20.805  -7.575 -14.472
  539   1HE   MET  67           HE2      MET  67 -18.755  -6.422 -16.630
  540   2HE   MET  67           HE1      MET  67 -20.262  -7.233 -17.055
  541   3HE   MET  67           HE3      MET  67 -19.871  -5.670 -17.771
  542    H    VAL  68           H        VAL  68 -22.102  -8.346  -9.950
  543    HA   VAL  68           HA       VAL  68 -22.863  -5.959  -8.493
  544    HB   VAL  68           HB       VAL  68 -24.436  -7.875  -8.992
  545   1HG1  VAL  68          1HG1      VAL  68 -22.914  -9.708  -8.472
  546   2HG1  VAL  68          3HG1      VAL  68 -22.896  -9.222  -6.777
  547   3HG1  VAL  68          2HG1      VAL  68 -24.388  -9.809  -7.511
  548   1HG2  VAL  68          3HG2      VAL  68 -24.959  -6.151  -7.344
  549   2HG2  VAL  68          2HG2      VAL  68 -25.585  -7.721  -6.843
  550   3HG2  VAL  68          1HG2      VAL  68 -24.122  -7.077  -6.099
  551    H    GLY  69           H        GLY  69 -20.068  -6.848  -8.535
  552   1HA   GLY  69           HA3      GLY  69 -19.096  -8.164  -6.368
  553   2HA   GLY  69           HA2      GLY  69 -19.560  -6.604  -5.707
  554    H    VAL  70           H        VAL  70 -18.517  -4.702  -6.517
  555    HA   VAL  70           HA       VAL  70 -16.218  -4.996  -8.241
  556    HB   VAL  70           HB       VAL  70 -17.659  -2.995  -8.366
  557   1HG1  VAL  70          2HG1      VAL  70 -18.220  -2.792  -6.002
  558   2HG1  VAL  70          1HG1      VAL  70 -16.557  -2.332  -5.640
  559   3HG1  VAL  70          3HG1      VAL  70 -17.565  -1.282  -6.635
  560   1HG2  VAL  70          1HG2      VAL  70 -15.344  -2.872  -9.140
  561   2HG2  VAL  70          3HG2      VAL  70 -15.890  -1.328  -8.487
  562   3HG2  VAL  70          2HG2      VAL  70 -14.831  -2.364  -7.532
  563    H    GLY  71           H        GLY  71 -15.767  -6.633  -6.177
  564   1HA   GLY  71           HA3      GLY  71 -14.714  -6.669  -3.974
  565   2HA   GLY  71           HA2      GLY  71 -13.908  -5.171  -4.411
  566    H    GLY  72           H        GLY  72 -11.806  -5.568  -4.513
  567   1HA   GLY  72           HA3      GLY  72 -10.172  -6.472  -6.204
  568   2HA   GLY  72           HA2      GLY  72 -10.908  -8.030  -5.877
  569    H    ILE  73           H        ILE  73  -8.297  -6.188  -5.224
  570    HA   ILE  73           HA       ILE  73  -7.979  -7.027  -2.457
  571    HB   ILE  73           HB       ILE  73  -5.724  -7.949  -2.926
  572   1HG1  ILE  73          2HG1      ILE  73  -6.525  -8.381  -5.765
  573   2HG1  ILE  73          3HG1      ILE  73  -5.734  -6.875  -5.298
  574   1HG2  ILE  73          2HG2      ILE  73  -7.720  -9.355  -2.527
  575   2HG2  ILE  73          1HG2      ILE  73  -7.886  -9.521  -4.276
  576   3HG2  ILE  73          3HG2      ILE  73  -6.444 -10.137  -3.463
  577   1HD1  ILE  73          3HD1      ILE  73  -3.863  -8.168  -4.374
  578   2HD1  ILE  73          2HD1      ILE  73  -4.648  -9.655  -4.909
  579   3HD1  ILE  73          1HD1      ILE  73  -4.103  -8.468  -6.097
  580    H    TYR  74           H        TYR  74  -5.303  -6.521  -2.168
  581    HA   TYR  74           HA       TYR  74  -4.966  -3.737  -3.035
  582   1HB   TYR  74           HB2      TYR  74  -4.127  -4.620  -0.292
  583   2HB   TYR  74           HB3      TYR  74  -4.504  -2.999  -0.871
  584    HD1  TYR  74           HD1      TYR  74  -5.925  -6.163   0.351
  585    HD2  TYR  74           HD2      TYR  74  -6.797  -2.209  -0.948
  586    HE1  TYR  74           HE1      TYR  74  -8.193  -6.377   1.252
  587    HE2  TYR  74           HE2      TYR  74  -9.073  -2.422  -0.036
  588    HH   TYR  74           HH       TYR  74 -10.006  -4.917   2.043
  589    H    VAL  75           H        VAL  75  -3.343  -4.092  -4.494
  590    HA   VAL  75           HA       VAL  75  -1.126  -5.849  -3.847
  591    HB   VAL  75           HB       VAL  75  -1.693  -4.173  -6.297
  592   1HG1  VAL  75          3HG1      VAL  75   0.560  -6.114  -5.783
  593   2HG1  VAL  75          2HG1      VAL  75   0.175  -5.391  -7.345
  594   3HG1  VAL  75          1HG1      VAL  75   0.706  -4.371  -6.009
  595   1HG2  VAL  75          3HG2      VAL  75  -3.184  -6.086  -6.001
  596   2HG2  VAL  75          2HG2      VAL  75  -2.104  -6.324  -7.376
  597   3HG2  VAL  75          1HG2      VAL  75  -1.788  -7.153  -5.852
  598    H    VAL  76           H        VAL  76   0.306  -5.057  -2.454
  599    HA   VAL  76           HA       VAL  76   1.157  -2.254  -2.767
  600    HB   VAL  76           HB       VAL  76   1.535  -4.016  -0.347
  601   1HG1  VAL  76          3HG1      VAL  76   1.963  -1.073  -0.838
  602   2HG1  VAL  76          2HG1      VAL  76   1.954  -1.813   0.763
  603   3HG1  VAL  76          1HG1      VAL  76   3.177  -2.282  -0.419
  604   1HG2  VAL  76          1HG2      VAL  76  -0.849  -3.588  -0.805
  605   2HG2  VAL  76          3HG2      VAL  76  -0.297  -2.806   0.676
  606   3HG2  VAL  76          2HG2      VAL  76  -0.523  -1.855  -0.791
  607    H    LEU  77           H        LEU  77   3.071  -1.914  -3.670
  608    HA   LEU  77           HA       LEU  77   5.143  -3.996  -3.457
  609   1HB   LEU  77           HB2      LEU  77   4.755  -1.812  -5.504
  610   2HB   LEU  77           HB3      LEU  77   6.192  -2.814  -5.416
  611    HG   LEU  77           HG       LEU  77   3.376  -3.783  -5.968
  612   1HD1  LEU  77          1HD1      LEU  77   5.782  -3.548  -7.769
  613   2HD1  LEU  77          3HD1      LEU  77   4.234  -4.271  -8.206
  614   3HD1  LEU  77          2HD1      LEU  77   4.331  -2.548  -7.835
  615   1HD2  LEU  77          1HD2      LEU  77   5.078  -5.293  -4.700
  616   2HD2  LEU  77          3HD2      LEU  77   4.161  -5.945  -6.059
  617   3HD2  LEU  77          2HD2      LEU  77   5.835  -5.442  -6.287
  618    H    VAL  78           H        VAL  78   6.297  -3.479  -1.675
  619    HA   VAL  78           HA       VAL  78   6.962  -0.666  -1.220
  620    HB   VAL  78           HB       VAL  78   8.073  -2.425   0.762
  621   1HG1  VAL  78          1HG1      VAL  78   5.889  -0.330   0.859
  622   2HG1  VAL  78          3HG1      VAL  78   6.700  -1.030   2.263
  623   3HG1  VAL  78          2HG1      VAL  78   7.618  -0.060   1.114
  624   1HG2  VAL  78          1HG2      VAL  78   6.317  -3.977   0.073
  625   2HG2  VAL  78          3HG2      VAL  78   6.012  -3.336   1.687
  626   3HG2  VAL  78          2HG2      VAL  78   5.109  -2.714   0.306
  627    H    LYS  79           H        LYS  79   8.657  -0.021  -2.364
  628    HA   LYS  79           HA       LYS  79  11.004  -1.778  -2.541
  629   1HB   LYS  79           HB2      LYS  79   9.868   0.316  -4.325
  630   2HB   LYS  79           HB3      LYS  79  11.611   0.088  -4.326
  631   1HG   LYS  79           HG2      LYS  79  11.275  -2.294  -4.840
  632   2HG   LYS  79           HG3      LYS  79   9.525  -2.008  -4.927
  633   1HD   LYS  79           HD2      LYS  79  11.593  -0.627  -6.644
  634   2HD   LYS  79           HD3      LYS  79  10.636  -2.021  -7.148
  635   1HE   LYS  79           HE2      LYS  79   8.583  -0.726  -6.823
  636   2HE   LYS  79           HE3      LYS  79   9.542   0.667  -6.325
  637   1HZ   LYS  79           HZ2      LYS  79  10.562   0.700  -8.518
  638   2HZ   LYS  79           HZ1      LYS  79   9.632  -0.631  -8.995
  639   3HZ   LYS  79           HZ3      LYS  79   8.880   0.842  -8.635
  640    HA   PRO  80           HA       PRO  80  12.577   1.018   0.691
  641   1HB   PRO  80           HB2      PRO  80  14.948  -0.698   0.132
  642   2HB   PRO  80           HB3      PRO  80  14.226  -0.239   1.679
  643   1HG   PRO  80           HG2      PRO  80  13.865  -2.680   0.669
  644   2HG   PRO  80           HG3      PRO  80  12.567  -1.841   1.532
  645   1HD   PRO  80           HD2      PRO  80  12.908  -2.307  -1.390
  646   2HD   PRO  80           HD3      PRO  80  11.424  -2.229  -0.420
  647    H    ARG  81           H        ARG  81  12.706   2.911  -0.514
  648    HA   ARG  81           HA       ARG  81  14.481   3.332  -2.663
  649   1HB   ARG  81           HB2      ARG  81  12.513   4.821  -1.236
  650   2HB   ARG  81           HB3      ARG  81  13.970   5.799  -1.344
  651   1HG   ARG  81           HG2      ARG  81  13.978   5.564  -3.752
  652   2HG   ARG  81           HG3      ARG  81  12.580   4.490  -3.669
  653   1HD   ARG  81           HD2      ARG  81  11.208   6.270  -2.790
  654   2HD   ARG  81           HD3      ARG  81  12.602   7.350  -2.717
  655    HE   ARG  81           HE       ARG  81  12.584   6.806  -5.298
  656   1HH1  ARG  81          1HH1      ARG  81   9.905   7.512  -3.187
  657   2HH1  ARG  81          2HH1      ARG  81   8.948   8.241  -4.434
  658   1HH2  ARG  81          1HH2      ARG  81  11.332   7.764  -6.945
  659   2HH2  ARG  81          2HH2      ARG  81   9.759   8.384  -6.569
  660    H    LYS  82           H        LYS  82  14.732   4.025   0.803
  661    HA   LYS  82           HA       LYS  82  17.579   4.666   0.394
  662   1HB   LYS  82           HB2      LYS  82  15.849   5.526   2.717
  663   2HB   LYS  82           HB3      LYS  82  17.487   6.055   2.362
  664   1HG   LYS  82           HG2      LYS  82  16.651   7.102   0.280
  665   2HG   LYS  82           HG3      LYS  82  15.011   6.662   0.764
  666   1HD   LYS  82           HD2      LYS  82  15.247   7.996   2.797
  667   2HD   LYS  82           HD3      LYS  82  16.892   8.430   2.325
  668   1HE   LYS  82           HE2      LYS  82  16.001   9.500   0.294
  669   2HE   LYS  82           HE3      LYS  82  14.364   9.110   0.825
  670   1HZ   LYS  82           HZ1      LYS  82  16.282  10.848   2.282
  671   2HZ   LYS  82           HZ3      LYS  82  14.960  11.386   1.373
  672   3HZ   LYS  82           HZ2      LYS  82  14.707  10.482   2.780
  673    H    ARG  83           H        ARG  83  18.862   4.276   2.513
  674    HA   ARG  83           HA       ARG  83  18.206   1.564   3.448
  675   1HB   ARG  83           HB2      ARG  83  20.887   2.958   3.394
  676   2HB   ARG  83           HB3      ARG  83  20.597   1.289   3.861
  677   1HG   ARG  83           HG2      ARG  83  19.921   0.728   1.621
  678   2HG   ARG  83           HG3      ARG  83  20.058   2.418   1.126
  679   1HD   ARG  83           HD2      ARG  83  22.023   1.280   0.394
  680   2HD   ARG  83           HD3      ARG  83  22.466   2.327   1.742
  681    HE   ARG  83           HE       ARG  83  21.875  -0.217   2.748
  682   1HH1  ARG  83          1HH1      ARG  83  24.267   1.373   0.776
  683   2HH1  ARG  83          2HH1      ARG  83  25.541   0.286   1.217
  684   1HH2  ARG  83          1HH2      ARG  83  23.546  -1.654   3.335
  685   2HH2  ARG  83          2HH2      ARG  83  25.131  -1.434   2.671
  686    H    GLY  84           H        GLY  84  17.668   1.297   5.517
  687   1HA   GLY  84           HA3      GLY  84  17.847   3.559   7.331
  688   2HA   GLY  84           HA2      GLY  84  18.802   2.155   7.787
  689    H    HIS  85           H        HIS  85  16.286   3.554   8.859
  690    HA   HIS  85           HA       HIS  85  14.843   1.062   9.386
  691   1HB   HIS  85           HB2      HIS  85  14.718   3.733  10.801
  692   2HB   HIS  85           HB3      HIS  85  13.836   2.286  11.279
  693    HD1  HIS  85           HD1      HIS  85  17.071   3.975  11.642
  694    HD2  HIS  85           HD2      HIS  85  15.540   0.159  12.243
  695    HE1  HIS  85           HE1      HIS  85  18.762   2.790  13.078
  696    HE2  HIS  85           HE2      HIS  85  17.855   0.456  13.358
  697    H    HIS  86           H        HIS  86  13.500   0.815   7.657
  698    HA   HIS  86           HA       HIS  86  11.568   2.979   7.139
  699   1HB   HIS  86           HB2      HIS  86  12.400   0.701   5.326
  700   2HB   HIS  86           HB3      HIS  86  11.234   1.957   4.926
  701    HD1  HIS  86           HD1      HIS  86  13.871   3.570   6.705
  702    HD2  HIS  86           HD2      HIS  86  13.364   2.210   2.813
  703    HE1  HIS  86           HE1      HIS  86  15.595   4.786   5.338
  704    HE2  HIS  86           HE2      HIS  86  15.196   4.027   2.971
  705    H    THR  87           H        THR  87   9.358   2.245   6.541
  706    HA   THR  87           HA       THR  87   8.559  -0.405   7.333
  707    HB   THR  87           HB       THR  87   7.637   1.934   9.011
  708    HG1  THR  87           HG1      THR  87   9.444   1.411  10.019
  709   1HG2  THR  87          1HG2      THR  87   5.891   0.234   8.597
  710   2HG2  THR  87          3HG2      THR  87   6.972  -1.004   9.237
  711   3HG2  THR  87          2HG2      THR  87   6.392   0.287  10.288
  712    H    LEU  88           H        LEU  88   6.524  -0.958   6.638
  713    HA   LEU  88           HA       LEU  88   5.220   0.989   4.875
  714   1HB   LEU  88           HB2      LEU  88   5.819  -1.042   3.762
  715   2HB   LEU  88           HB3      LEU  88   5.104  -2.014   5.029
  716    HG   LEU  88           HG       LEU  88   2.865  -1.061   4.367
  717   1HD1  LEU  88          1HD1      LEU  88   3.693   0.924   3.208
  718   2HD1  LEU  88          3HD1      LEU  88   4.422  -0.103   1.973
  719   3HD1  LEU  88          2HD1      LEU  88   2.670  -0.060   2.161
  720   1HD2  LEU  88          3HD2      LEU  88   4.434  -2.677   2.373
  721   2HD2  LEU  88          2HD2      LEU  88   3.466  -3.286   3.713
  722   3HD2  LEU  88          1HD2      LEU  88   2.683  -2.492   2.347
  723    H    GLU  89           H        GLU  89   3.997   2.137   6.333
  724    HA   GLU  89           HA       GLU  89   2.387   0.875   8.313
  725   1HB   GLU  89           HB2      GLU  89   2.418   3.698   7.260
  726   2HB   GLU  89           HB3      GLU  89   1.467   3.155   8.637
  727   1HG   GLU  89           HG2      GLU  89   3.447   2.575   9.837
  728   2HG   GLU  89           HG3      GLU  89   4.458   2.982   8.454
  729    H    LEU  90           H        LEU  90   1.057  -0.588   7.207
  730    HA   LEU  90           HA       LEU  90  -0.995   0.619   5.483
  731   1HB   LEU  90           HB2      LEU  90  -0.120  -2.238   5.851
  732   2HB   LEU  90           HB3      LEU  90  -1.615  -1.821   5.044
  733    HG   LEU  90           HG       LEU  90   1.152  -1.010   4.151
  734   1HD1  LEU  90          3HD1      LEU  90  -0.807  -3.038   3.093
  735   2HD1  LEU  90          2HD1      LEU  90   0.634  -2.500   2.232
  736   3HD1  LEU  90          1HD1      LEU  90   0.791  -3.350   3.769
  737   1HD2  LEU  90          2HD2      LEU  90  -1.544  -0.524   2.892
  738   2HD2  LEU  90          1HD2      LEU  90  -0.479   0.697   3.587
  739   3HD2  LEU  90          3HD2      LEU  90   0.013  -0.182   2.138
  740    H    VAL  91           H        VAL  91  -2.931   1.004   6.303
  741    HA   VAL  91           HA       VAL  91  -3.760  -0.496   8.699
  742    HB   VAL  91           HB       VAL  91  -3.074   1.800   9.269
  743   1HG1  VAL  91          3HG1      VAL  91  -5.254   2.599   7.346
  744   2HG1  VAL  91          2HG1      VAL  91  -4.467   3.695   8.482
  745   3HG1  VAL  91          1HG1      VAL  91  -3.527   2.930   7.202
  746   1HG2  VAL  91          1HG2      VAL  91  -6.032   1.278   9.520
  747   2HG2  VAL  91          3HG2      VAL  91  -4.767   0.758  10.634
  748   3HG2  VAL  91          2HG2      VAL  91  -5.133   2.473  10.453
  749    H    TYR  92           H        TYR  92  -6.062  -0.637   9.034
  750    HA   TYR  92           HA       TYR  92  -7.575  -0.718   6.517
  751   1HB   TYR  92           HB2      TYR  92  -7.250  -2.754   8.118
  752   2HB   TYR  92           HB3      TYR  92  -8.469  -1.959   9.107
  753    HD1  TYR  92           HD1      TYR  92 -10.307  -3.383   8.951
  754    HD2  TYR  92           HD2      TYR  92  -8.306  -2.186   5.393
  755    HE1  TYR  92           HE1      TYR  92 -12.075  -4.440   7.608
  756    HE2  TYR  92           HE2      TYR  92 -10.070  -3.238   4.040
  757    HH   TYR  92           HH       TYR  92 -11.764  -4.995   4.273
  758    H    THR  93           H        THR  93  -8.255   1.425   6.371
  759    HA   THR  93           HA       THR  93  -9.987   2.389   8.565
  760    HB   THR  93           HB       THR  93  -7.987   3.730   8.470
  761    HG1  THR  93           HG1      THR  93  -9.983   5.251   7.146
  762   1HG2  THR  93          1HG2      THR  93  -8.595   3.765   5.542
  763   2HG2  THR  93          3HG2      THR  93  -7.710   5.107   6.271
  764   3HG2  THR  93          2HG2      THR  93  -7.062   3.468   6.366
  765    H    ARG  94           H        ARG  94 -11.567   4.076   7.866
  766    HA   ARG  94           HA       ARG  94 -12.797   3.280   5.323
  767   1HB   ARG  94           HB2      ARG  94 -13.975   4.818   7.648
  768   2HB   ARG  94           HB3      ARG  94 -14.848   4.304   6.211
  769   1HG   ARG  94           HG2      ARG  94 -14.434   1.963   6.808
  770   2HG   ARG  94           HG3      ARG  94 -13.598   2.498   8.268
  771   1HD   ARG  94           HD2      ARG  94 -15.894   1.854   8.764
  772   2HD   ARG  94           HD3      ARG  94 -15.641   3.574   9.054
  773    HE   ARG  94           HE       ARG  94 -16.604   3.259   6.450
  774   1HH1  ARG  94          1HH1      ARG  94 -17.679   2.835   9.737
  775   2HH1  ARG  94          2HH1      ARG  94 -19.345   3.138   9.367
  776   1HH2  ARG  94          1HH2      ARG  94 -18.794   3.658   5.953
  777   2HH2  ARG  94          2HH2      ARG  94 -19.977   3.605   7.217
  778    HA   PRO  95           HA       PRO  95 -10.780   7.172   3.909
  779   1HB   PRO  95           HB2      PRO  95 -12.298   6.193   1.523
  780   2HB   PRO  95           HB3      PRO  95 -10.670   6.868   1.617
  781   1HG   PRO  95           HG2      PRO  95 -11.025   4.244   1.368
  782   2HG   PRO  95           HG3      PRO  95  -9.761   4.889   2.427
  783   1HD   PRO  95           HD2      PRO  95 -12.378   3.667   3.134
  784   2HD   PRO  95           HD3      PRO  95 -10.836   3.628   4.007
  785    H    PHE  96           H        PHE  96 -14.116   6.109   3.657
  786    HA   PHE  96           HA       PHE  96 -15.199   8.605   2.871
  787   1HB   PHE  96           HB2      PHE  96 -16.465   6.178   4.149
  788   2HB   PHE  96           HB3      PHE  96 -17.345   7.528   3.462
  789    HD1  PHE  96           HD1      PHE  96 -15.016   4.787   2.640
  790    HD2  PHE  96           HD2      PHE  96 -17.799   7.647   1.161
  791    HE1  PHE  96           HE1      PHE  96 -14.950   3.703   0.433
  792    HE2  PHE  96           HE2      PHE  96 -17.741   6.566  -1.049
  793    HZ   PHE  96           HZ       PHE  96 -16.316   4.590  -1.414
  794    H    GLU  97           H        GLU  97 -14.834   6.940   5.982
  795    HA   GLU  97           HA       GLU  97 -15.957   9.248   7.382
  796   1HB   GLU  97           HB2      GLU  97 -15.051   6.568   8.455
  797   2HB   GLU  97           HB3      GLU  97 -15.853   7.825   9.386
  798   1HG   GLU  97           HG2      GLU  97 -17.033   6.339   7.049
  799   2HG   GLU  97           HG3      GLU  97 -17.395   6.053   8.751
  800    H    GLY  98           H        GLY  98 -13.187   7.117   8.053
  801   1HA   GLY  98           HA3      GLY  98 -11.778   9.234   9.400
  802   2HA   GLY  98           HA2      GLY  98 -11.079   8.833   7.837
  803    H    ILE  99           H        ILE  99  -9.354   8.465   9.657
  804    HA   ILE  99           HA       ILE  99  -9.268   5.564  10.009
  805    HB   ILE  99           HB       ILE  99  -6.943   7.382  10.491
  806   1HG1  ILE  99          2HG1      ILE  99  -7.617   6.243   7.781
  807   2HG1  ILE  99          3HG1      ILE  99  -8.093   7.874   8.249
  808   1HG2  ILE  99          1HG2      ILE  99  -7.444   4.508  10.045
  809   2HG2  ILE  99          3HG2      ILE  99  -6.002   5.171   9.270
  810   3HG2  ILE  99          2HG2      ILE  99  -6.205   5.307  11.017
  811   1HD1  ILE  99          2HD1      ILE  99  -5.735   8.439   8.603
  812   2HD1  ILE  99          1HD1      ILE  99  -5.277   6.811   8.103
  813   3HD1  ILE  99          3HD1      ILE  99  -6.048   7.902   6.952
  814    H    LYS 100           H        LYS 100  -8.966   4.583  11.953
  815    HA   LYS 100           HA       LYS 100  -8.726   6.252  14.345
  816   1HB   LYS 100           HB2      LYS 100 -10.915   4.228  13.855
  817   2HB   LYS 100           HB3      LYS 100 -10.575   4.958  15.415
  818   1HG   LYS 100           HG2      LYS 100 -11.173   7.124  14.623
  819   2HG   LYS 100           HG3      LYS 100 -11.277   6.544  12.959
  820   1HD   LYS 100           HD2      LYS 100 -13.023   5.485  15.170
  821   2HD   LYS 100           HD3      LYS 100 -13.477   6.865  14.169
  822   1HE   LYS 100           HE2      LYS 100 -13.405   5.516  12.178
  823   2HE   LYS 100           HE3      LYS 100 -12.766   4.143  13.088
  824   1HZ   LYS 100           HZ3      LYS 100 -15.450   5.362  13.458
  825   2HZ   LYS 100           HZ2      LYS 100 -15.130   3.902  12.665
  826   3HZ   LYS 100           HZ1      LYS 100 -14.838   4.043  14.324
  827    HA   PRO 101           HA       PRO 101  -6.031   3.151  15.910
  828   1HB   PRO 101           HB2      PRO 101  -6.830   2.932  18.522
  829   2HB   PRO 101           HB3      PRO 101  -5.852   4.262  17.896
  830   1HG   PRO 101           HG2      PRO 101  -8.797   4.153  18.405
  831   2HG   PRO 101           HG3      PRO 101  -7.650   5.461  18.743
  832   1HD   PRO 101           HD2      PRO 101  -9.284   5.527  16.613
  833   2HD   PRO 101           HD3      PRO 101  -7.638   6.192  16.554
  834    H    GLU 102           H        GLU 102  -9.435   2.680  16.739
  835    HA   GLU 102           HA       GLU 102  -9.261  -0.041  17.428
  836   1HB   GLU 102           HB2      GLU 102 -11.724  -0.060  17.008
  837   2HB   GLU 102           HB3      GLU 102 -11.178   1.204  18.103
  838   1HG   GLU 102           HG2      GLU 102 -11.252   2.812  16.287
  839   2HG   GLU 102           HG3      GLU 102 -11.793   1.550  15.187
  840    H    ASN 103           H        ASN 103  -8.538   1.277  14.545
  841    HA   ASN 103           HA       ASN 103  -9.806  -0.672  12.823
  842   1HB   ASN 103           HB2      ASN 103  -7.845   1.567  12.334
  843   2HB   ASN 103           HB3      ASN 103  -8.366   0.467  11.064
  844   1HD2  ASN 103          1HD2      ASN 103 -10.564   1.356  13.584
  845   2HD2  ASN 103          2HD2      ASN 103 -11.557   2.400  12.633
  846    H    GLU 104           H        GLU 104  -8.575  -2.085  11.404
  847    HA   GLU 104           HA       GLU 104  -6.684  -3.634  12.783
  848   1HB   GLU 104           HB2      GLU 104  -7.989  -3.646  10.158
  849   2HB   GLU 104           HB3      GLU 104  -6.395  -4.377  10.178
  850   1HG   GLU 104           HG2      GLU 104  -7.833  -6.146  10.612
  851   2HG   GLU 104           HG3      GLU 104  -7.226  -5.695  12.202
  852    H    ARG 105           H        ARG 105  -4.516  -4.212  11.831
  853    HA   ARG 105           HA       ARG 105  -3.150  -1.849  10.730
  854   1HB   ARG 105           HB2      ARG 105  -2.830  -1.898  13.169
  855   2HB   ARG 105           HB3      ARG 105  -2.202  -3.530  13.057
  856   1HG   ARG 105           HG2      ARG 105  -0.251  -2.350  13.201
  857   2HG   ARG 105           HG3      ARG 105  -0.460  -2.418  11.446
  858   1HD   ARG 105           HD2      ARG 105   0.102  -0.166  12.082
  859   2HD   ARG 105           HD3      ARG 105  -1.573  -0.214  11.526
  860    HE   ARG 105           HE       ARG 105  -1.601  -0.573  14.281
  861   1HH1  ARG 105          1HH1      ARG 105  -0.712   1.897  11.986
  862   2HH1  ARG 105          2HH1      ARG 105  -1.065   3.206  13.062
  863   1HH2  ARG 105          1HH2      ARG 105  -2.069   1.148  15.704
  864   2HH2  ARG 105          2HH2      ARG 105  -1.837   2.781  15.176
  865    H    TYR 106           H        TYR 106  -1.005  -2.332   9.867
  866    HA   TYR 106           HA       TYR 106  -0.037  -4.946   9.456
  867   1HB   TYR 106           HB2      TYR 106  -1.987  -5.017   7.899
  868   2HB   TYR 106           HB3      TYR 106  -1.269  -3.681   6.998
  869    HD1  TYR 106           HD1      TYR 106   0.608  -4.076   5.524
  870    HD2  TYR 106           HD2      TYR 106  -0.985  -7.220   7.900
  871    HE1  TYR 106           HE1      TYR 106   1.871  -5.712   4.195
  872    HE2  TYR 106           HE2      TYR 106   0.270  -8.861   6.584
  873    HH   TYR 106           HH       TYR 106   1.287  -9.053   4.353
  874    H    THR 107           H        THR 107   1.522  -3.435  10.449
  875    HA   THR 107           HA       THR 107   2.812  -1.573   8.619
  876    HB   THR 107           HB       THR 107   4.163  -1.865  11.151
  877    HG1  THR 107           HG1      THR 107   2.538  -1.749  12.527
  878   1HG2  THR 107          3HG2      THR 107   4.175   0.108   9.611
  879   2HG2  THR 107          2HG2      THR 107   2.509   0.426  10.096
  880   3HG2  THR 107          1HG2      THR 107   3.805   0.503  11.290
  881    H    LEU 108           H        LEU 108   3.827  -2.983   7.139
  882    HA   LEU 108           HA       LEU 108   5.515  -5.111   8.000
  883   1HB   LEU 108           HB2      LEU 108   4.560  -5.197   5.796
  884   2HB   LEU 108           HB3      LEU 108   5.298  -3.674   5.360
  885    HG   LEU 108           HG       LEU 108   7.503  -4.672   5.376
  886   1HD1  LEU 108          2HD1      LEU 108   6.112  -7.209   6.226
  887   2HD1  LEU 108          1HD1      LEU 108   7.811  -7.069   5.777
  888   3HD1  LEU 108          3HD1      LEU 108   7.206  -6.238   7.211
  889   1HD2  LEU 108          1HD2      LEU 108   6.178  -4.841   3.329
  890   2HD2  LEU 108          3HD2      LEU 108   7.266  -6.216   3.519
  891   3HD2  LEU 108          2HD2      LEU 108   5.547  -6.398   3.869
  892    H    HIS 109           H        HIS 109   6.939  -4.295   9.502
  893    HA   HIS 109           HA       HIS 109   8.582  -2.017   8.992
  894   1HB   HIS 109           HB2      HIS 109   8.480  -4.103  11.119
  895   2HB   HIS 109           HB3      HIS 109   9.864  -3.022  11.014
  896    HD1  HIS 109           HD1      HIS 109   9.549  -0.636  11.815
  897    HD2  HIS 109           HD2      HIS 109   6.020  -2.829  11.775
  898    HE1  HIS 109           HE1      HIS 109   7.861   0.787  13.018
  899    HE2  HIS 109           HE2      HIS 109   5.756  -0.598  13.057
  900    H    LEU 110           H        LEU 110  10.585  -1.876   8.250
  901    HA   LEU 110           HA       LEU 110  12.066  -4.293   7.552
  902   1HB   LEU 110           HB2      LEU 110  11.455  -2.062   5.614
  903   2HB   LEU 110           HB3      LEU 110  12.521  -3.415   5.295
  904    HG   LEU 110           HG       LEU 110   9.547  -3.616   5.805
  905   1HD1  LEU 110          1HD1      LEU 110  11.133  -3.845   3.250
  906   2HD1  LEU 110          3HD1      LEU 110   9.409  -4.177   3.421
  907   3HD1  LEU 110          2HD1      LEU 110  10.023  -2.543   3.679
  908   1HD2  LEU 110          2HD2      LEU 110  10.913  -5.586   6.514
  909   2HD2  LEU 110          1HD2      LEU 110   9.739  -5.925   5.241
  910   3HD2  LEU 110          3HD2      LEU 110  11.445  -5.744   4.840
  911    H    ASN 111           H        ASN 111  13.822  -3.937   8.817
  912    HA   ASN 111           HA       ASN 111  15.010  -1.331   9.084
  913   1HB   ASN 111           HB2      ASN 111  15.033  -3.064  10.908
  914   2HB   ASN 111           HB3      ASN 111  16.147  -4.011   9.924
  915   1HD2  ASN 111          1HD2      ASN 111  16.527  -2.859  12.562
  916   2HD2  ASN 111          2HD2      ASN 111  17.899  -1.816  12.442
  917    H    VAL 112           H        VAL 112  15.060  -1.294   6.641
  918    HA   VAL 112           HA       VAL 112  16.587  -2.765   4.956
  919    HB   VAL 112           HB       VAL 112  16.813   0.207   4.725
  920   1HG1  VAL 112          2HG1      VAL 112  17.738  -1.281   3.000
  921   2HG1  VAL 112          1HG1      VAL 112  16.128  -1.956   2.746
  922   3HG1  VAL 112          3HG1      VAL 112  16.440  -0.260   2.377
  923   1HG2  VAL 112          1HG2      VAL 112  14.262  -1.374   4.507
  924   2HG2  VAL 112          3HG2      VAL 112  14.577   0.055   5.493
  925   3HG2  VAL 112          2HG2      VAL 112  14.491   0.196   3.737
  926    H    LYS 113           H        LYS 113  18.618  -3.436   5.045
  927    HA   LYS 113           HA       LYS 113  20.576  -2.082   6.674
  928   1HB   LYS 113           HB2      LYS 113  20.853  -4.518   4.908
  929   2HB   LYS 113           HB3      LYS 113  22.039  -3.958   6.079
  930   1HG   LYS 113           HG2      LYS 113  19.242  -4.839   6.762
  931   2HG   LYS 113           HG3      LYS 113  20.679  -5.856   6.881
  932   1HD   LYS 113           HD2      LYS 113  21.650  -4.302   8.499
  933   2HD   LYS 113           HD3      LYS 113  20.224  -3.271   8.371
  934   1HE   LYS 113           HE2      LYS 113  18.830  -5.093   9.218
  935   2HE   LYS 113           HE3      LYS 113  20.255  -6.124   9.345
  936   1HZ   LYS 113           HZ1      LYS 113  21.182  -4.575  10.955
  937   2HZ   LYS 113           HZ3      LYS 113  19.807  -3.596  10.837
  938   3HZ   LYS 113           HZ2      LYS 113  19.683  -5.157  11.477

  No H/Q in entry =         938
  Start of MODEL    2
    1    H1   GLY  -2           HT2      GLY  -2 -16.091   4.299  21.425
    2    H2   GLY  -2           HT1      GLY  -2 -16.104   4.254  19.735
    3    H3   GLY  -2           HT3      GLY  -2 -15.144   3.164  20.604
    4   1HA   GLY  -2           HA2      GLY  -2 -14.777   6.108  20.507
    5   2HA   GLY  -2           HA3      GLY  -2 -13.794   4.929  19.653
    6    H    SER  -1           H        SER  -1 -12.099   4.012  20.672
    7    HA   SER  -1           HA       SER  -1 -11.571   4.912  23.408
    8   1HB   SER  -1           HB2      SER  -1 -12.499   2.657  23.639
    9   2HB   SER  -1           HB3      SER  -1 -11.313   2.037  22.489
   10    HG   SER  -1           HG       SER  -1 -10.597   3.342  24.899
   11    H    HIS   0           H        HIS   0  -9.408   5.200  23.903
   12    HA   HIS   0           HA       HIS   0  -7.550   4.914  21.633
   13   1HB   HIS   0           HB2      HIS   0  -7.531   6.988  23.837
   14   2HB   HIS   0           HB3      HIS   0  -6.336   6.858  22.550
   15    HD1  HIS   0           HD1      HIS   0  -6.880   7.954  20.353
   16    HD2  HIS   0           HD2      HIS   0 -10.137   7.813  22.929
   17    HE1  HIS   0           HE1      HIS   0  -8.655   9.371  19.272
   18    HE2  HIS   0           HE2      HIS   0 -10.647   9.196  20.804
   19    H    MET   1           H        MET   1  -6.116   3.355  21.945
   20    HA   MET   1           HA       MET   1  -4.930   3.040  24.614
   21   1HB   MET   1           HB2      MET   1  -5.844   0.783  22.821
   22   2HB   MET   1           HB3      MET   1  -4.945   0.587  24.319
   23   1HG   MET   1           HG2      MET   1  -6.800   1.588  25.559
   24   2HG   MET   1           HG3      MET   1  -7.702   1.767  24.055
   25   1HE   MET   1           HE2      MET   1  -8.584  -0.272  22.606
   26   2HE   MET   1           HE1      MET   1  -6.949  -0.931  22.530
   27   3HE   MET   1           HE3      MET   1  -8.295  -1.963  23.017
   28    H    ILE   2           H        ILE   2  -4.634   2.961  21.170
   29    HA   ILE   2           HA       ILE   2  -2.852   2.906  19.756
   30    HB   ILE   2           HB       ILE   2  -1.059   3.493  22.103
   31   1HG1  ILE   2          2HG1      ILE   2  -2.746   5.501  20.589
   32   2HG1  ILE   2          3HG1      ILE   2  -3.089   4.939  22.221
   33   1HG2  ILE   2          3HG2      ILE   2  -1.009   4.299  19.197
   34   2HG2  ILE   2          2HG2      ILE   2   0.144   4.841  20.417
   35   3HG2  ILE   2          1HG2      ILE   2   0.053   3.133  19.986
   36   1HD1  ILE   2          2HD1      ILE   2  -0.973   5.882  22.989
   37   2HD1  ILE   2          1HD1      ILE   2  -0.638   6.453  21.354
   38   3HD1  ILE   2          3HD1      ILE   2  -2.008   7.105  22.252
   39    H    ALA   3           H        ALA   3  -3.535   0.568  21.688
   40    HA   ALA   3           HA       ALA   3  -1.202  -1.051  20.937
   41   1HB   ALA   3           HB2      ALA   3  -2.602  -1.188  23.607
   42   2HB   ALA   3           HB3      ALA   3  -1.003  -0.500  23.315
   43   3HB   ALA   3           HB1      ALA   3  -1.280  -2.225  23.071
   44    HA   PRO   4           HA       PRO   4  -4.003  -3.962  19.173
   45   1HB   PRO   4           HB2      PRO   4  -2.521  -6.070  20.661
   46   2HB   PRO   4           HB3      PRO   4  -2.866  -5.943  18.933
   47   1HG   PRO   4           HG2      PRO   4  -0.427  -5.433  19.871
   48   2HG   PRO   4           HG3      PRO   4  -1.121  -4.458  18.562
   49   1HD   PRO   4           HD2      PRO   4  -0.808  -3.798  21.460
   50   2HD   PRO   4           HD3      PRO   4  -0.632  -2.750  20.037
   51    H    LEU   5           H        LEU   5  -5.891  -4.993  19.674
   52    HA   LEU   5           HA       LEU   5  -6.436  -5.492  22.525
   53   1HB   LEU   5           HB2      LEU   5  -7.562  -3.450  21.785
   54   2HB   LEU   5           HB3      LEU   5  -8.316  -4.327  20.469
   55    HG   LEU   5           HG       LEU   5  -9.519  -5.719  22.153
   56   1HD1  LEU   5          2HD1      LEU   5  -7.969  -5.448  24.015
   57   2HD1  LEU   5          1HD1      LEU   5  -8.371  -3.733  24.110
   58   3HD1  LEU   5          3HD1      LEU   5  -9.599  -4.949  24.469
   59   1HD2  LEU   5          3HD2      LEU   5  -9.949  -2.743  22.350
   60   2HD2  LEU   5          2HD2      LEU   5 -10.603  -3.810  21.108
   61   3HD2  LEU   5          1HD2      LEU   5 -11.122  -3.984  22.784
   62    H    SER   6           H        SER   6  -7.955  -6.088  19.350
   63    HA   SER   6           HA       SER   6  -8.890  -8.676  20.235
   64   1HB   SER   6           HB2      SER   6 -10.322  -7.290  18.804
   65   2HB   SER   6           HB3      SER   6  -9.100  -7.324  17.532
   66    HG   SER   6           HG       SER   6 -10.460  -9.582  18.588
   67    H    VAL   7           H        VAL   7  -8.601 -10.552  18.623
   68    HA   VAL   7           HA       VAL   7  -5.809 -11.122  18.471
   69    HB   VAL   7           HB       VAL   7  -8.096 -12.691  17.269
   70   1HG1  VAL   7          1HG1      VAL   7  -5.917 -13.323  16.384
   71   2HG1  VAL   7          3HG1      VAL   7  -5.294 -13.517  18.023
   72   3HG1  VAL   7          2HG1      VAL   7  -6.558 -14.592  17.426
   73   1HG2  VAL   7          3HG2      VAL   7  -6.830 -12.912  19.998
   74   2HG2  VAL   7          2HG2      VAL   7  -8.463 -12.345  19.647
   75   3HG2  VAL   7          1HG2      VAL   7  -8.024 -14.023  19.329
   76    H    LYS   8           H        LYS   8  -4.690  -9.917  17.017
   77    HA   LYS   8           HA       LYS   8  -5.098 -10.480  14.232
   78   1HB   LYS   8           HB2      LYS   8  -5.071  -8.017  13.648
   79   2HB   LYS   8           HB3      LYS   8  -6.569  -8.633  14.321
   80   1HG   LYS   8           HG2      LYS   8  -6.445  -6.810  15.615
   81   2HG   LYS   8           HG3      LYS   8  -5.338  -7.797  16.569
   82   1HD   LYS   8           HD2      LYS   8  -3.445  -6.854  15.304
   83   2HD   LYS   8           HD3      LYS   8  -4.573  -5.828  14.417
   84   1HE   LYS   8           HE2      LYS   8  -4.107  -5.789  17.396
   85   2HE   LYS   8           HE3      LYS   8  -3.505  -4.603  16.239
   86   1HZ   LYS   8           HZ3      LYS   8  -5.790  -4.027  15.699
   87   2HZ   LYS   8           HZ2      LYS   8  -6.365  -5.161  16.814
   88   3HZ   LYS   8           HZ1      LYS   8  -5.494  -3.815  17.351
   89    H    ASP   9           H        ASP   9  -3.189 -10.697  13.306
   90    HA   ASP   9           HA       ASP   9  -0.862  -9.451  14.608
   91   1HB   ASP   9           HB2      ASP   9  -0.965 -11.963  14.709
   92   2HB   ASP   9           HB3      ASP   9  -0.852 -11.975  12.952
   93    H    ASN  10           H        ASN  10  -0.139  -7.793  13.449
   94    HA   ASN  10           HA       ASN  10  -0.080  -8.044  10.527
   95   1HB   ASN  10           HB2      ASN  10  -0.240  -5.370  10.870
   96   2HB   ASN  10           HB3      ASN  10  -1.631  -6.408  10.579
   97   1HD2  ASN  10          1HD2      ASN  10  -0.002  -4.354  12.771
   98   2HD2  ASN  10          2HD2      ASN  10  -1.155  -4.422  14.056
   99    H    ASP  11           H        ASP  11   1.009  -5.369  12.445
  100    HA   ASP  11           HA       ASP  11   3.217  -4.558  11.378
  101   1HB   ASP  11           HB2      ASP  11   4.227  -4.354  13.756
  102   2HB   ASP  11           HB3      ASP  11   2.725  -3.520  13.379
  103    H    LYS  12           H        LYS  12   4.669  -5.611  10.301
  104    HA   LYS  12           HA       LYS  12   6.000  -7.933  11.503
  105   1HB   LYS  12           HB2      LYS  12   5.112  -8.572   9.412
  106   2HB   LYS  12           HB3      LYS  12   5.602  -7.067   8.647
  107   1HG   LYS  12           HG2      LYS  12   7.919  -7.720   8.763
  108   2HG   LYS  12           HG3      LYS  12   7.489  -9.199   9.624
  109   1HD   LYS  12           HD2      LYS  12   6.282 -10.021   7.704
  110   2HD   LYS  12           HD3      LYS  12   6.548  -8.501   6.846
  111   1HE   LYS  12           HE2      LYS  12   8.966  -8.908   6.893
  112   2HE   LYS  12           HE3      LYS  12   8.686 -10.436   7.727
  113   1HZ   LYS  12           HZ2      LYS  12   7.444 -11.216   5.805
  114   2HZ   LYS  12           HZ1      LYS  12   7.717  -9.752   5.004
  115   3HZ   LYS  12           HZ3      LYS  12   9.016 -10.776   5.363
  116    H    TRP  13           H        TRP  13   7.564  -7.039  12.720
  117    HA   TRP  13           HA       TRP  13   9.219  -4.886  11.750
  118   1HB   TRP  13           HB2      TRP  13   9.654  -6.412  14.302
  119   2HB   TRP  13           HB3      TRP  13   9.976  -4.717  13.957
  120    HD1  TRP  13           HD1      TRP  13   6.957  -7.076  14.496
  121    HE1  TRP  13           HE1      TRP  13   4.979  -5.689  15.375
  122    HE3  TRP  13           HE3      TRP  13   9.078  -2.421  14.329
  123    HZ2  TRP  13           HZ2      TRP  13   4.372  -2.986  15.911
  124    HZ3  TRP  13           HZ3      TRP  13   7.734  -0.492  15.056
  125    HH2  TRP  13           HH2      TRP  13   5.438  -0.770  15.838
  126    H    VAL  14           H        VAL  14  10.722  -5.408  10.240
  127    HA   VAL  14           HA       VAL  14  12.681  -7.453  10.962
  128    HB   VAL  14           HB       VAL  14  10.725  -8.548   9.694
  129   1HG1  VAL  14          1HG1      VAL  14  10.496  -6.876   7.947
  130   2HG1  VAL  14          3HG1      VAL  14  12.128  -7.230   7.381
  131   3HG1  VAL  14          2HG1      VAL  14  10.867  -8.457   7.260
  132   1HG2  VAL  14          2HG2      VAL  14  13.213  -9.330  10.058
  133   2HG2  VAL  14          1HG2      VAL  14  12.097 -10.233   9.033
  134   3HG2  VAL  14          3HG2      VAL  14  13.272  -9.141   8.305
  135    H    ASP  15           H        ASP  15  14.185  -7.757   8.937
  136    HA   ASP  15           HA       ASP  15  15.103  -5.071   8.197
  137   1HB   ASP  15           HB2      ASP  15  16.434  -7.709   8.654
  138   2HB   ASP  15           HB3      ASP  15  17.227  -6.512   7.631
  139    H    THR  16           H        THR  16  16.562  -5.304   6.042
  140    HA   THR  16           HA       THR  16  15.736  -7.079   4.024
  141    HB   THR  16           HB       THR  16  13.619  -5.645   4.423
  142    HG1  THR  16           HG1      THR  16  14.765  -6.646   2.176
  143   1HG2  THR  16          2HG2      THR  16  14.832  -3.474   4.396
  144   2HG2  THR  16          1HG2      THR  16  15.170  -3.731   2.685
  145   3HG2  THR  16          3HG2      THR  16  13.504  -3.553   3.238
  146    H    HIS  17           H        HIS  17  15.980  -5.720   1.735
  147    HA   HIS  17           HA       HIS  17  18.521  -4.247   1.963
  148   1HB   HIS  17           HB2      HIS  17  17.728  -6.108  -0.288
  149   2HB   HIS  17           HB3      HIS  17  19.261  -5.262  -0.117
  150    HD1  HIS  17           HD1      HIS  17  21.063  -6.409   1.189
  151    HD2  HIS  17           HD2      HIS  17  17.349  -8.204   1.682
  152    HE1  HIS  17           HE1      HIS  17  21.506  -8.527   2.469
  153    HE2  HIS  17           HE2      HIS  17  19.233  -9.551   2.833
  154    H    VAL  18           H        VAL  18  18.936  -3.019  -0.216
  155    HA   VAL  18           HA       VAL  18  16.848  -1.122  -0.467
  156    HB   VAL  18           HB       VAL  18  19.187  -0.492  -0.766
  157   1HG1  VAL  18          3HG1      VAL  18  19.055  -2.127  -3.297
  158   2HG1  VAL  18          2HG1      VAL  18  20.392  -1.080  -2.820
  159   3HG1  VAL  18          1HG1      VAL  18  20.001  -2.505  -1.858
  160   1HG2  VAL  18          3HG2      VAL  18  17.520  -0.052  -3.242
  161   2HG2  VAL  18          2HG2      VAL  18  17.475   0.916  -1.769
  162   3HG2  VAL  18          1HG2      VAL  18  18.927   0.901  -2.770
  163    H    GLY  19           H        GLY  19  15.339  -0.773  -1.970
  164   1HA   GLY  19           HA3      GLY  19  15.229  -1.853  -4.558
  165   2HA   GLY  19           HA2      GLY  19  13.886  -1.152  -3.682
  166    H    LYS  20           H        LYS  20  14.656  -3.448  -1.612
  167    HA   LYS  20           HA       LYS  20  13.973  -5.870  -2.833
  168   1HB   LYS  20           HB2      LYS  20  14.786  -5.211  -0.365
  169   2HB   LYS  20           HB3      LYS  20  13.075  -5.398  -0.039
  170   1HG   LYS  20           HG2      LYS  20  13.877  -7.498   0.405
  171   2HG   LYS  20           HG3      LYS  20  13.349  -7.660  -1.274
  172   1HD   LYS  20           HD2      LYS  20  15.542  -7.494  -2.090
  173   2HD   LYS  20           HD3      LYS  20  16.136  -6.859  -0.556
  174   1HE   LYS  20           HE2      LYS  20  15.754  -9.020   0.503
  175   2HE   LYS  20           HE3      LYS  20  15.096  -9.656  -1.005
  176   1HZ   LYS  20           HZ1      LYS  20  17.882  -8.703  -0.610
  177   2HZ   LYS  20           HZ3      LYS  20  17.398 -10.323  -0.677
  178   3HZ   LYS  20           HZ2      LYS  20  17.248  -9.338  -2.044
  179    H    THR  21           H        THR  21  12.281  -5.323  -4.287
  180    HA   THR  21           HA       THR  21   9.856  -4.135  -3.614
  181    HB   THR  21           HB       THR  21  10.016  -6.304  -5.685
  182    HG1  THR  21           HG1      THR  21  11.650  -4.194  -5.526
  183   1HG2  THR  21          1HG2      THR  21   7.857  -5.194  -5.275
  184   2HG2  THR  21          3HG2      THR  21   8.603  -3.632  -5.606
  185   3HG2  THR  21          2HG2      THR  21   8.477  -4.839  -6.886
  186    H    THR  22           H        THR  22   8.839  -4.837  -1.816
  187    HA   THR  22           HA       THR  22   8.261  -7.692  -1.538
  188    HB   THR  22           HB       THR  22   7.851  -5.397   0.395
  189    HG1  THR  22           HG1      THR  22   9.763  -5.941   1.122
  190   1HG2  THR  22          3HG2      THR  22   7.376  -8.356   0.793
  191   2HG2  THR  22          2HG2      THR  22   7.296  -7.123   2.053
  192   3HG2  THR  22          1HG2      THR  22   6.134  -7.105   0.727
  193    H    GLU  23           H        GLU  23   6.622  -8.193  -2.844
  194    HA   GLU  23           HA       GLU  23   4.323  -6.500  -3.151
  195   1HB   GLU  23           HB2      GLU  23   5.301  -7.865  -4.994
  196   2HB   GLU  23           HB3      GLU  23   4.793  -9.312  -4.134
  197   1HG   GLU  23           HG2      GLU  23   2.497  -8.753  -4.381
  198   2HG   GLU  23           HG3      GLU  23   2.904  -7.146  -4.988
  199    H    ILE  24           H        ILE  24   2.410  -6.693  -2.163
  200    HA   ILE  24           HA       ILE  24   1.848  -9.120  -0.627
  201    HB   ILE  24           HB       ILE  24   1.518  -6.346   0.490
  202   1HG1  ILE  24          2HG1      ILE  24   3.544  -8.490   1.145
  203   2HG1  ILE  24          3HG1      ILE  24   3.881  -6.950   0.366
  204   1HG2  ILE  24          3HG2      ILE  24  -0.157  -7.961   1.258
  205   2HG2  ILE  24          2HG2      ILE  24   1.134  -9.048   1.773
  206   3HG2  ILE  24          1HG2      ILE  24   0.930  -7.484   2.563
  207   1HD1  ILE  24          1HD1      ILE  24   3.196  -5.780   2.402
  208   2HD1  ILE  24          3HD1      ILE  24   2.905  -7.333   3.184
  209   3HD1  ILE  24          2HD1      ILE  24   4.537  -6.890   2.686
  210    H    HIS  25           H        HIS  25   0.128  -9.828  -1.699
  211    HA   HIS  25           HA       HIS  25  -1.991  -8.020  -2.502
  212   1HB   HIS  25           HB2      HIS  25  -2.249 -10.986  -2.686
  213   2HB   HIS  25           HB3      HIS  25  -2.812  -9.749  -3.793
  214    HD1  HIS  25           HD1      HIS  25  -0.083 -12.110  -3.259
  215    HD2  HIS  25           HD2      HIS  25  -0.716  -8.648  -5.467
  216    HE1  HIS  25           HE1      HIS  25   1.746 -12.070  -4.984
  217    HE2  HIS  25           HE2      HIS  25   1.262 -10.036  -6.389
  218    H    LEU  26           H        LEU  26  -3.453  -7.449  -1.054
  219    HA   LEU  26           HA       LEU  26  -4.108  -9.313   1.130
  220   1HB   LEU  26           HB2      LEU  26  -4.570  -6.340   1.050
  221   2HB   LEU  26           HB3      LEU  26  -4.761  -7.394   2.435
  222    HG   LEU  26           HG       LEU  26  -2.089  -7.003   1.106
  223   1HD1  LEU  26          2HD1      LEU  26  -3.270  -5.380   3.355
  224   2HD1  LEU  26          1HD1      LEU  26  -1.599  -5.305   2.795
  225   3HD1  LEU  26          3HD1      LEU  26  -2.910  -4.798   1.730
  226   1HD2  LEU  26          2HD2      LEU  26  -2.426  -8.919   2.652
  227   2HD2  LEU  26          1HD2      LEU  26  -1.212  -7.765   3.205
  228   3HD2  LEU  26          3HD2      LEU  26  -2.821  -7.766   3.929
  229    H    LYS  27           H        LYS  27  -6.284  -9.661   1.658
  230    HA   LYS  27           HA       LYS  27  -8.125  -9.043  -0.539
  231   1HB   LYS  27           HB2      LYS  27  -8.656 -11.002   1.678
  232   2HB   LYS  27           HB3      LYS  27  -9.412 -10.916   0.096
  233   1HG   LYS  27           HG2      LYS  27  -7.214 -11.520  -0.917
  234   2HG   LYS  27           HG3      LYS  27  -6.601 -11.784   0.718
  235   1HD   LYS  27           HD2      LYS  27  -8.316 -13.485   1.095
  236   2HD   LYS  27           HD3      LYS  27  -8.939 -13.220  -0.535
  237   1HE   LYS  27           HE2      LYS  27  -7.507 -15.193  -0.451
  238   2HE   LYS  27           HE3      LYS  27  -6.808 -13.940  -1.477
  239   1HZ   LYS  27           HZ2      LYS  27  -5.353 -13.311   0.349
  240   2HZ   LYS  27           HZ1      LYS  27  -6.021 -14.516   1.329
  241   3HZ   LYS  27           HZ3      LYS  27  -5.139 -14.940  -0.052
  242    H    GLY  28           H        GLY  28 -10.383  -8.582   0.035
  243   1HA   GLY  28           HA3      GLY  28 -10.474  -6.407   1.893
  244   2HA   GLY  28           HA2      GLY  28 -11.344  -7.809   2.488
  245    H    ASN  29           H        ASN  29 -12.457  -5.241   1.859
  246    HA   ASN  29           HA       ASN  29 -13.727  -5.238  -0.666
  247   1HB   ASN  29           HB2      ASN  29 -14.807  -7.221   0.639
  248   2HB   ASN  29           HB3      ASN  29 -15.656  -5.954   1.517
  249   1HD2  ASN  29          1HD2      ASN  29 -17.089  -4.599   0.387
  250   2HD2  ASN  29          2HD2      ASN  29 -17.777  -5.086  -1.120
  251    HA   PRO  30           HA       PRO  30 -13.985  -1.109   1.080
  252   1HB   PRO  30           HB2      PRO  30 -14.989   0.102  -1.150
  253   2HB   PRO  30           HB3      PRO  30 -13.279  -0.275  -0.922
  254   1HG   PRO  30           HG2      PRO  30 -15.358  -1.760  -2.475
  255   2HG   PRO  30           HG3      PRO  30 -13.666  -1.434  -2.892
  256   1HD   PRO  30           HD2      PRO  30 -14.496  -3.825  -1.936
  257   2HD   PRO  30           HD3      PRO  30 -12.881  -3.171  -1.601
  258    H    THR  31           H        THR  31 -16.678  -1.756  -1.181
  259    HA   THR  31           HA       THR  31 -18.565  -0.199   0.097
  260    HB   THR  31           HB       THR  31 -18.988  -1.017  -2.118
  261    HG1  THR  31           HG1      THR  31 -20.875  -2.121  -0.285
  262   1HG2  THR  31          2HG2      THR  31 -17.887  -3.189  -1.923
  263   2HG2  THR  31          1HG2      THR  31 -19.181  -3.756  -0.871
  264   3HG2  THR  31          3HG2      THR  31 -19.523  -3.365  -2.556
  265    H    THR  32           H        THR  32 -17.380  -3.307   1.030
  266    HA   THR  32           HA       THR  32 -19.645  -3.875   2.751
  267    HB   THR  32           HB       THR  32 -17.026  -5.318   2.341
  268    HG1  THR  32           HG1      THR  32 -18.458  -6.877   1.398
  269   1HG2  THR  32          1HG2      THR  32 -19.354  -6.068   4.114
  270   2HG2  THR  32          3HG2      THR  32 -17.996  -7.123   3.718
  271   3HG2  THR  32          2HG2      THR  32 -17.725  -5.647   4.645
  272    H    GLY  33           H        GLY  33 -16.141  -3.722   3.420
  273   1HA   GLY  33           HA3      GLY  33 -15.381  -3.541   5.717
  274   2HA   GLY  33           HA2      GLY  33 -16.820  -2.591   6.058
  275    H    TYR  34           H        TYR  34 -13.579  -2.421   5.600
  276    HA   TYR  34           HA       TYR  34 -13.728   0.430   4.890
  277   1HB   TYR  34           HB2      TYR  34 -11.697  -1.028   6.597
  278   2HB   TYR  34           HB3      TYR  34 -11.623   0.680   6.185
  279    HD1  TYR  34           HD1      TYR  34 -14.248  -1.638   7.529
  280    HD2  TYR  34           HD2      TYR  34 -12.195   2.074   7.932
  281    HE1  TYR  34           HE1      TYR  34 -15.605  -1.105   9.507
  282    HE2  TYR  34           HE2      TYR  34 -13.551   2.611   9.908
  283    HH   TYR  34           HH       TYR  34 -15.474   0.314  11.504
  284    H    MET  35           H        MET  35 -11.162   1.028   4.375
  285    HA   MET  35           HA       MET  35 -10.540  -0.556   1.992
  286   1HB   MET  35           HB2      MET  35 -10.947   1.579   1.207
  287   2HB   MET  35           HB3      MET  35 -10.343   2.344   2.667
  288   1HG   MET  35           HG2      MET  35  -8.068   1.900   2.012
  289   2HG   MET  35           HG3      MET  35  -8.620   1.002   0.615
  290   1HE   MET  35           HE1      MET  35  -7.091   2.213  -0.793
  291   2HE   MET  35           HE3      MET  35  -7.410   3.784  -1.527
  292   3HE   MET  35           HE2      MET  35  -6.545   3.686   0.006
  293    H    TRP  36           H        TRP  36  -8.365  -1.001   1.519
  294    HA   TRP  36           HA       TRP  36  -6.617  -0.983   3.884
  295   1HB   TRP  36           HB2      TRP  36  -7.195  -2.981   1.822
  296   2HB   TRP  36           HB3      TRP  36  -5.484  -2.755   2.141
  297    HD1  TRP  36           HD1      TRP  36  -8.243  -4.815   3.244
  298    HE1  TRP  36           HE1      TRP  36  -7.815  -5.819   5.577
  299    HE3  TRP  36           HE3      TRP  36  -4.332  -1.864   4.690
  300    HZ2  TRP  36           HZ2      TRP  36  -6.051  -5.414   7.738
  301    HZ3  TRP  36           HZ3      TRP  36  -3.329  -2.237   6.901
  302    HH2  TRP  36           HH2      TRP  36  -4.175  -3.976   8.394
  303    H    THR  37           H        THR  37  -5.375   0.789   3.715
  304    HA   THR  37           HA       THR  37  -3.606   0.957   1.406
  305    HB   THR  37           HB       THR  37  -5.530   2.417   0.860
  306    HG1  THR  37           HG1      THR  37  -4.217   4.206   0.326
  307   1HG2  THR  37          2HG2      THR  37  -4.651   3.901   3.340
  308   2HG2  THR  37          1HG2      THR  37  -5.793   4.520   2.147
  309   3HG2  THR  37          3HG2      THR  37  -6.193   3.084   3.089
  310    H    ARG  38           H        ARG  38  -2.195   3.215   1.955
  311    HA   ARG  38           HA       ARG  38  -0.764   2.442   4.327
  312   1HB   ARG  38           HB2      ARG  38  -0.234   3.933   1.948
  313   2HB   ARG  38           HB3      ARG  38   0.228   4.902   3.329
  314   1HG   ARG  38           HG2      ARG  38   1.980   3.625   3.813
  315   2HG   ARG  38           HG3      ARG  38   1.119   2.130   3.443
  316   1HD   ARG  38           HD2      ARG  38   2.152   4.046   1.365
  317   2HD   ARG  38           HD3      ARG  38   3.006   2.636   1.907
  318    HE   ARG  38           HE       ARG  38   0.974   2.680  -0.005
  319   1HH1  ARG  38          1HH1      ARG  38   2.056   0.799   2.716
  320   2HH1  ARG  38          2HH1      ARG  38   1.308  -0.663   2.169
  321   1HH2  ARG  38          1HH2      ARG  38  -0.026   0.762  -0.724
  322   2HH2  ARG  38          2HH2      ARG  38   0.123  -0.681   0.218
  323    H    VAL  39           H        VAL  39  -0.634   3.465   6.260
  324    HA   VAL  39           HA       VAL  39  -2.774   4.928   7.231
  325    HB   VAL  39           HB       VAL  39   0.055   4.856   8.294
  326   1HG1  VAL  39          2HG1      VAL  39  -2.499   5.739   9.636
  327   2HG1  VAL  39          1HG1      VAL  39  -0.948   5.517  10.445
  328   3HG1  VAL  39          3HG1      VAL  39  -1.127   6.763   9.211
  329   1HG2  VAL  39          2HG2      VAL  39  -1.194   2.674   8.058
  330   2HG2  VAL  39          1HG2      VAL  39  -0.636   3.070   9.684
  331   3HG2  VAL  39          3HG2      VAL  39  -2.331   3.295   9.254
  332    H    GLY  40           H        GLY  40  -3.308   7.031   7.365
  333   1HA   GLY  40           HA3      GLY  40  -1.388   9.141   7.013
  334   2HA   GLY  40           HA2      GLY  40  -3.122   9.331   7.226
  335    H    PHE  41           H        PHE  41  -1.635   7.356   4.738
  336    HA   PHE  41           HA       PHE  41  -2.041   9.381   2.701
  337   1HB   PHE  41           HB2      PHE  41  -1.071   6.532   2.411
  338   2HB   PHE  41           HB3      PHE  41  -0.946   7.808   1.206
  339    HD1  PHE  41           HD1      PHE  41  -0.218   9.982   3.300
  340    HD2  PHE  41           HD2      PHE  41   1.287   6.085   2.490
  341    HE1  PHE  41           HE1      PHE  41   1.968  10.639   4.225
  342    HE2  PHE  41           HE2      PHE  41   3.473   6.733   3.416
  343    HZ   PHE  41           HZ       PHE  41   3.816   9.011   4.286
  344    H    VAL  42           H        VAL  42  -4.274   8.124   4.177
  345    HA   VAL  42           HA       VAL  42  -5.654   6.452   2.286
  346    HB   VAL  42           HB       VAL  42  -6.786   7.812   4.734
  347   1HG1  VAL  42          3HG1      VAL  42  -8.405   6.922   3.078
  348   2HG1  VAL  42          2HG1      VAL  42  -7.687   5.325   3.296
  349   3HG1  VAL  42          1HG1      VAL  42  -8.487   6.126   4.648
  350   1HG2  VAL  42          1HG2      VAL  42  -4.713   6.360   5.075
  351   2HG2  VAL  42          3HG2      VAL  42  -6.140   5.987   6.038
  352   3HG2  VAL  42          2HG2      VAL  42  -5.747   5.003   4.631
  353    H    GLY  43           H        GLY  43  -6.330   7.348   0.445
  354   1HA   GLY  43           HA3      GLY  43  -7.888   9.848   0.635
  355   2HA   GLY  43           HA2      GLY  43  -8.167   8.586  -0.557
  356    H    LYS  44           H        LYS  44  -4.897   9.357   0.154
  357    HA   LYS  44           HA       LYS  44  -4.502  11.476  -1.660
  358   1HB   LYS  44           HB2      LYS  44  -2.601   9.419  -0.533
  359   2HB   LYS  44           HB3      LYS  44  -2.090  10.779  -1.511
  360   1HG   LYS  44           HG2      LYS  44  -3.131  12.292   0.180
  361   2HG   LYS  44           HG3      LYS  44  -3.392  10.871   1.192
  362   1HD   LYS  44           HD2      LYS  44  -1.040  10.460   1.340
  363   2HD   LYS  44           HD3      LYS  44  -0.695  11.705   0.138
  364   1HE   LYS  44           HE2      LYS  44  -0.212  12.516   2.380
  365   2HE   LYS  44           HE3      LYS  44  -1.549  13.415   1.664
  366   1HZ   LYS  44           HZ2      LYS  44  -3.089  12.027   2.928
  367   2HZ   LYS  44           HZ1      LYS  44  -1.789  11.212   3.639
  368   3HZ   LYS  44           HZ3      LYS  44  -2.026  12.858   3.949
  369    H    ASP  45           H        ASP  45  -2.947  11.237  -3.551
  370    HA   ASP  45           HA       ASP  45  -4.080   9.328  -5.400
  371   1HB   ASP  45           HB2      ASP  45  -2.343  11.746  -5.585
  372   2HB   ASP  45           HB3      ASP  45  -2.269  10.577  -6.893
  373    H    VAL  46           H        VAL  46  -1.254   9.735  -3.493
  374    HA   VAL  46           HA       VAL  46  -0.208   7.180  -4.451
  375    HB   VAL  46           HB       VAL  46   0.987   9.007  -5.675
  376   1HG1  VAL  46          3HG1      VAL  46   0.957  10.704  -3.937
  377   2HG1  VAL  46          2HG1      VAL  46   2.001   9.704  -2.925
  378   3HG1  VAL  46          1HG1      VAL  46   2.613  10.364  -4.442
  379   1HG2  VAL  46          2HG2      VAL  46   2.643   7.355  -3.771
  380   2HG2  VAL  46          1HG2      VAL  46   2.027   6.837  -5.342
  381   3HG2  VAL  46          3HG2      VAL  46   3.235   8.119  -5.247
  382    H    LEU  47           H        LEU  47   0.676   5.960  -2.893
  383    HA   LEU  47           HA       LEU  47   0.408   6.912  -0.166
  384   1HB   LEU  47           HB2      LEU  47   1.374   4.179  -0.793
  385   2HB   LEU  47           HB3      LEU  47   0.291   4.718   0.472
  386    HG   LEU  47           HG       LEU  47  -0.432   4.465  -2.449
  387   1HD1  LEU  47          2HD1      LEU  47  -0.083   2.299  -1.345
  388   2HD1  LEU  47          1HD1      LEU  47  -1.252   2.757  -0.106
  389   3HD1  LEU  47          3HD1      LEU  47  -1.773   2.564  -1.781
  390   1HD2  LEU  47          2HD2      LEU  47  -2.107   5.165  -0.043
  391   2HD2  LEU  47          1HD2      LEU  47  -1.697   6.230  -1.388
  392   3HD2  LEU  47          3HD2      LEU  47  -2.737   4.830  -1.655
  393    H    SER  48           H        SER  48   2.875   5.287  -2.127
  394    HA   SER  48           HA       SER  48   5.050   5.449  -0.454
  395   1HB   SER  48           HB2      SER  48   5.108   4.288  -2.610
  396   2HB   SER  48           HB3      SER  48   5.019   5.830  -3.458
  397    HG   SER  48           HG       SER  48   7.053   6.285  -2.892
  398    H    ASP  49           H        ASP  49   7.081   6.914  -1.070
  399    HA   ASP  49           HA       ASP  49   6.374   9.663  -1.626
  400   1HB   ASP  49           HB2      ASP  49   7.255   8.787   1.119
  401   2HB   ASP  49           HB3      ASP  49   7.452  10.444   0.550
  402    H    GLU  50           H        GLU  50   9.073   8.933   0.426
  403    HA   GLU  50           HA       GLU  50  10.900   9.048  -1.873
  404   1HB   GLU  50           HB2      GLU  50  12.312  10.613  -0.703
  405   2HB   GLU  50           HB3      GLU  50  10.676  11.258  -0.766
  406   1HG   GLU  50           HG2      GLU  50  10.286  10.568   1.524
  407   2HG   GLU  50           HG3      GLU  50  11.905   9.874   1.604
  408    H    ILE  51           H        ILE  51  10.263   8.020   1.400
  409    HA   ILE  51           HA       ILE  51  12.772   6.751   1.861
  410    HB   ILE  51           HB       ILE  51  10.139   6.124   3.187
  411   1HG1  ILE  51          2HG1      ILE  51  10.654   8.566   3.178
  412   2HG1  ILE  51          3HG1      ILE  51  10.603   7.854   4.783
  413   1HG2  ILE  51          2HG2      ILE  51  13.003   5.772   4.044
  414   2HG2  ILE  51          1HG2      ILE  51  11.619   5.584   5.122
  415   3HG2  ILE  51          3HG2      ILE  51  11.808   4.513   3.735
  416   1HD1  ILE  51          3HD1      ILE  51  13.110   8.434   3.224
  417   2HD1  ILE  51          2HD1      ILE  51  12.449   9.444   4.511
  418   3HD1  ILE  51          1HD1      ILE  51  13.021   7.814   4.873
  419    H    LEU  52           H        LEU  52   9.585   5.215   1.695
  420    HA   LEU  52           HA       LEU  52  10.834   2.901   0.379
  421   1HB   LEU  52           HB2      LEU  52   8.456   3.245   2.155
  422   2HB   LEU  52           HB3      LEU  52   8.488   1.900   1.032
  423    HG   LEU  52           HG       LEU  52  10.696   2.393   3.014
  424   1HD1  LEU  52          2HD1      LEU  52   8.227   0.696   3.348
  425   2HD1  LEU  52          1HD1      LEU  52   9.626   0.685   4.422
  426   3HD1  LEU  52          3HD1      LEU  52   8.642   2.140   4.271
  427   1HD2  LEU  52          1HD2      LEU  52  11.102   0.932   1.028
  428   2HD2  LEU  52          3HD2      LEU  52  11.291   0.125   2.584
  429   3HD2  LEU  52          2HD2      LEU  52   9.834  -0.135   1.627
  430    H    GLU  53           H        GLU  53  10.578   2.823  -1.775
  431    HA   GLU  53           HA       GLU  53   8.599   4.283  -3.182
  432   1HB   GLU  53           HB2      GLU  53  10.797   2.477  -3.823
  433   2HB   GLU  53           HB3      GLU  53   9.413   2.235  -4.879
  434   1HG   GLU  53           HG2      GLU  53  10.173   5.026  -4.435
  435   2HG   GLU  53           HG3      GLU  53  11.364   4.046  -5.286
  436    H    VAL  54           H        VAL  54   6.790   3.524  -1.824
  437    HA   VAL  54           HA       VAL  54   5.925   0.809  -2.045
  438    HB   VAL  54           HB       VAL  54   4.178   3.083  -1.163
  439   1HG1  VAL  54          1HG1      VAL  54   4.340   0.157  -0.482
  440   2HG1  VAL  54          3HG1      VAL  54   3.263   1.310   0.302
  441   3HG1  VAL  54          2HG1      VAL  54   3.084   0.968  -1.419
  442   1HG2  VAL  54          2HG2      VAL  54   6.365   1.717   0.391
  443   2HG2  VAL  54          1HG2      VAL  54   6.174   3.440   0.077
  444   3HG2  VAL  54          3HG2      VAL  54   5.045   2.611   1.146
  445    H    VAL  55           H        VAL  55   5.802   0.533  -4.322
  446    HA   VAL  55           HA       VAL  55   3.849   2.043  -5.809
  447    HB   VAL  55           HB       VAL  55   5.217  -0.517  -6.613
  448   1HG1  VAL  55          2HG1      VAL  55   3.156   0.196  -7.850
  449   2HG1  VAL  55          1HG1      VAL  55   4.035   1.642  -8.347
  450   3HG1  VAL  55          3HG1      VAL  55   4.606   0.050  -8.847
  451   1HG2  VAL  55          3HG2      VAL  55   6.076   2.335  -7.105
  452   2HG2  VAL  55          2HG2      VAL  55   6.895   1.162  -6.074
  453   3HG2  VAL  55          1HG2      VAL  55   6.825   0.906  -7.818
  454    H    CYS  56           H        CYS  56   2.050   1.655  -4.519
  455    HA   CYS  56           HA       CYS  56   0.984  -1.079  -4.575
  456   1HB   CYS  56           HB2      CYS  56   1.141  -0.348  -2.327
  457   2HB   CYS  56           HB3      CYS  56   0.470   1.232  -2.716
  458    HG   CYS  56           HG       CYS  56  -2.098   0.158  -3.306
  459    H    LYS  57           H        LYS  57  -1.109  -1.464  -5.207
  460    HA   LYS  57           HA       LYS  57  -2.606   0.757  -6.374
  461   1HB   LYS  57           HB2      LYS  57  -2.043  -1.838  -7.809
  462   2HB   LYS  57           HB3      LYS  57  -3.066  -0.539  -8.400
  463   1HG   LYS  57           HG2      LYS  57  -1.200   0.928  -8.633
  464   2HG   LYS  57           HG3      LYS  57  -0.132  -0.216  -7.818
  465   1HD   LYS  57           HD2      LYS  57  -1.562  -0.837 -10.394
  466   2HD   LYS  57           HD3      LYS  57   0.062  -0.148 -10.328
  467   1HE   LYS  57           HE2      LYS  57  -0.810  -2.781  -9.142
  468   2HE   LYS  57           HE3      LYS  57   0.159  -2.564 -10.599
  469   1HZ   LYS  57           HZ2      LYS  57   1.885  -1.538  -9.252
  470   2HZ   LYS  57           HZ1      LYS  57   0.956  -1.758  -7.855
  471   3HZ   LYS  57           HZ3      LYS  57   1.542  -3.101  -8.702
  472    H    TYR  58           H        TYR  58  -4.624   0.716  -5.754
  473    HA   TYR  58           HA       TYR  58  -5.671  -1.547  -4.302
  474   1HB   TYR  58           HB2      TYR  58  -6.079   0.822  -3.583
  475   2HB   TYR  58           HB3      TYR  58  -7.041   1.058  -5.039
  476    HD1  TYR  58           HD1      TYR  58  -8.745  -1.254  -5.202
  477    HD2  TYR  58           HD2      TYR  58  -7.427   0.857  -1.732
  478    HE1  TYR  58           HE1      TYR  58 -10.738  -2.026  -4.006
  479    HE2  TYR  58           HE2      TYR  58  -9.446   0.099  -0.533
  480    HH   TYR  58           HH       TYR  58 -11.466  -2.363  -1.675
  481    H    THR  59           H        THR  59  -6.038  -3.208  -5.695
  482    HA   THR  59           HA       THR  59  -7.457  -2.738  -8.191
  483    HB   THR  59           HB       THR  59  -6.490  -5.366  -7.052
  484    HG1  THR  59           HG1      THR  59  -5.142  -3.284  -8.255
  485   1HG2  THR  59          2HG2      THR  59  -7.239  -4.544  -9.862
  486   2HG2  THR  59          1HG2      THR  59  -6.601  -6.118  -9.387
  487   3HG2  THR  59          3HG2      THR  59  -8.180  -5.593  -8.802
  488    HA   PRO  60           HA       PRO  60 -11.207  -4.116  -6.139
  489   1HB   PRO  60           HB2      PRO  60 -12.876  -2.589  -7.556
  490   2HB   PRO  60           HB3      PRO  60 -11.798  -1.883  -6.355
  491   1HG   PRO  60           HG2      PRO  60 -11.680  -1.746  -9.295
  492   2HG   PRO  60           HG3      PRO  60 -10.979  -0.656  -8.088
  493   1HD   PRO  60           HD2      PRO  60  -9.709  -2.808  -9.521
  494   2HD   PRO  60           HD3      PRO  60  -8.984  -1.644  -8.395
  495    H    THR  61           H        THR  61 -13.562  -4.356  -7.592
  496    HA   THR  61           HA       THR  61 -12.937  -6.652  -9.283
  497    HB   THR  61           HB       THR  61 -15.767  -5.944  -8.763
  498    HG1  THR  61           HG1      THR  61 -15.601  -6.791  -6.615
  499   1HG2  THR  61          3HG2      THR  61 -14.151  -8.489  -8.624
  500   2HG2  THR  61          2HG2      THR  61 -15.884  -8.389  -8.319
  501   3HG2  THR  61          1HG2      THR  61 -15.246  -7.997  -9.915
  502    HA   PRO  62           HA       PRO  62 -13.629  -4.495 -13.088
  503   1HB   PRO  62           HB2      PRO  62 -14.809  -7.027 -14.071
  504   2HB   PRO  62           HB3      PRO  62 -13.439  -6.107 -14.698
  505   1HG   PRO  62           HG2      PRO  62 -13.069  -8.407 -13.391
  506   2HG   PRO  62           HG3      PRO  62 -11.949  -7.047 -13.193
  507   1HD   PRO  62           HD2      PRO  62 -14.125  -7.990 -11.367
  508   2HD   PRO  62           HD3      PRO  62 -12.499  -7.395 -10.972
  509    H    SER  63           H        SER  63 -15.234  -3.089 -13.358
  510    HA   SER  63           HA       SER  63 -17.976  -3.862 -12.751
  511   1HB   SER  63           HB2      SER  63 -16.776  -1.166 -13.429
  512   2HB   SER  63           HB3      SER  63 -18.458  -1.441 -12.978
  513    HG   SER  63           HG       SER  63 -16.863  -2.575 -11.159
  514    H    SER  64           H        SER  64 -19.717  -3.491 -14.208
  515    HA   SER  64           HA       SER  64 -18.964  -3.960 -16.983
  516   1HB   SER  64           HB2      SER  64 -21.671  -4.054 -15.629
  517   2HB   SER  64           HB3      SER  64 -21.355  -4.504 -17.304
  518    HG   SER  64           HG       SER  64 -19.824  -5.723 -15.316
  519    H    THR  65           H        THR  65 -20.396  -1.511 -14.975
  520    HA   THR  65           HA       THR  65 -20.195   0.408 -17.104
  521    HB   THR  65           HB       THR  65 -22.922  -0.120 -15.921
  522    HG1  THR  65           HG1      THR  65 -23.057  -1.452 -17.555
  523   1HG2  THR  65          2HG2      THR  65 -22.016   1.901 -17.975
  524   2HG2  THR  65          1HG2      THR  65 -23.686   1.607 -17.492
  525   3HG2  THR  65          3HG2      THR  65 -22.533   2.256 -16.327
  526    HA   PRO  66           HA       PRO  66 -21.244   2.636 -12.957
  527   1HB   PRO  66           HB2      PRO  66 -21.360   0.558 -10.909
  528   2HB   PRO  66           HB3      PRO  66 -22.558   1.787 -11.315
  529   1HG   PRO  66           HG2      PRO  66 -22.954  -0.840 -11.815
  530   2HG   PRO  66           HG3      PRO  66 -23.616   0.439 -12.852
  531   1HD   PRO  66           HD2      PRO  66 -21.164  -1.245 -13.254
  532   2HD   PRO  66           HD3      PRO  66 -22.417  -0.795 -14.431
  533    H    MET  67           H        MET  67 -20.155   2.443 -10.479
  534    HA   MET  67           HA       MET  67 -17.526   1.266 -10.582
  535   1HB   MET  67           HB2      MET  67 -17.346   3.416 -11.897
  536   2HB   MET  67           HB3      MET  67 -17.746   4.277 -10.417
  537   1HG   MET  67           HG2      MET  67 -15.762   3.327  -9.346
  538   2HG   MET  67           HG3      MET  67 -15.350   2.508 -10.850
  539   1HE   MET  67           HE3      MET  67 -12.930   3.596 -10.792
  540   2HE   MET  67           HE2      MET  67 -12.640   5.329 -10.630
  541   3HE   MET  67           HE1      MET  67 -13.330   4.421  -9.285
  542    H    VAL  68           H        VAL  68 -20.091   1.511  -8.977
  543    HA   VAL  68           HA       VAL  68 -18.859   2.197  -6.390
  544    HB   VAL  68           HB       VAL  68 -21.732   2.478  -7.271
  545   1HG1  VAL  68          1HG1      VAL  68 -20.539   2.854  -4.522
  546   2HG1  VAL  68          3HG1      VAL  68 -22.174   3.316  -4.991
  547   3HG1  VAL  68          2HG1      VAL  68 -21.702   1.617  -5.001
  548   1HG2  VAL  68          2HG2      VAL  68 -19.699   4.502  -6.341
  549   2HG2  VAL  68          1HG2      VAL  68 -20.286   4.289  -7.990
  550   3HG2  VAL  68          3HG2      VAL  68 -21.385   4.847  -6.728
  551    H    GLY  69           H        GLY  69 -18.459   0.447  -5.212
  552   1HA   GLY  69           HA3      GLY  69 -20.491  -1.651  -5.042
  553   2HA   GLY  69           HA2      GLY  69 -19.140  -1.423  -3.941
  554    H    VAL  70           H        VAL  70 -16.950  -1.877  -4.864
  555    HA   VAL  70           HA       VAL  70 -16.998  -3.875  -6.997
  556    HB   VAL  70           HB       VAL  70 -14.402  -3.554  -6.624
  557   1HG1  VAL  70          1HG1      VAL  70 -15.725  -3.103  -8.682
  558   2HG1  VAL  70          3HG1      VAL  70 -16.026  -1.475  -8.074
  559   3HG1  VAL  70          2HG1      VAL  70 -14.376  -1.991  -8.437
  560   1HG2  VAL  70          1HG2      VAL  70 -15.547  -0.943  -5.662
  561   2HG2  VAL  70          3HG2      VAL  70 -14.596  -2.083  -4.711
  562   3HG2  VAL  70          2HG2      VAL  70 -13.856  -1.234  -6.067
  563    H    GLY  71           H        GLY  71 -14.238  -4.045  -5.110
  564   1HA   GLY  71           HA3      GLY  71 -15.272  -6.425  -3.705
  565   2HA   GLY  71           HA2      GLY  71 -14.103  -5.335  -2.983
  566    H    GLY  72           H        GLY  72 -12.000  -5.157  -4.069
  567   1HA   GLY  72           HA3      GLY  72 -10.506  -6.145  -5.777
  568   2HA   GLY  72           HA2      GLY  72 -11.262  -7.686  -5.409
  569    H    ILE  73           H        ILE  73  -8.461  -6.244  -5.094
  570    HA   ILE  73           HA       ILE  73  -7.995  -7.067  -2.319
  571    HB   ILE  73           HB       ILE  73  -5.857  -8.054  -2.921
  572   1HG1  ILE  73          2HG1      ILE  73  -6.479  -8.223  -5.801
  573   2HG1  ILE  73          3HG1      ILE  73  -5.944  -6.651  -5.209
  574   1HG2  ILE  73          1HG2      ILE  73  -7.920  -9.430  -2.795
  575   2HG2  ILE  73          3HG2      ILE  73  -8.001  -9.357  -4.557
  576   3HG2  ILE  73          2HG2      ILE  73  -6.617 -10.119  -3.764
  577   1HD1  ILE  73          1HD1      ILE  73  -3.957  -7.738  -4.231
  578   2HD1  ILE  73          3HD1      ILE  73  -4.480  -9.266  -4.943
  579   3HD1  ILE  73          2HD1      ILE  73  -4.050  -7.909  -5.986
  580    H    TYR  74           H        TYR  74  -5.288  -6.583  -2.230
  581    HA   TYR  74           HA       TYR  74  -4.888  -3.825  -3.104
  582   1HB   TYR  74           HB2      TYR  74  -4.245  -4.510  -0.259
  583   2HB   TYR  74           HB3      TYR  74  -4.593  -2.939  -0.976
  584    HD1  TYR  74           HD1      TYR  74  -6.877  -2.177  -1.258
  585    HD2  TYR  74           HD2      TYR  74  -6.068  -5.999   0.416
  586    HE1  TYR  74           HE1      TYR  74  -9.200  -2.333  -0.464
  587    HE2  TYR  74           HE2      TYR  74  -8.382  -6.154   1.206
  588    HH   TYR  74           HH       TYR  74 -10.243  -4.661   1.761
  589    H    VAL  75           H        VAL  75  -3.091  -4.169  -4.335
  590    HA   VAL  75           HA       VAL  75  -1.013  -5.946  -3.310
  591    HB   VAL  75           HB       VAL  75  -1.768  -6.253  -5.660
  592   1HG1  VAL  75          3HG1      VAL  75  -2.168  -3.895  -6.205
  593   2HG1  VAL  75          2HG1      VAL  75  -0.429  -3.597  -6.138
  594   3HG1  VAL  75          1HG1      VAL  75  -1.093  -4.670  -7.370
  595   1HG2  VAL  75          2HG2      VAL  75   0.435  -7.009  -4.937
  596   2HG2  VAL  75          1HG2      VAL  75   0.472  -6.461  -6.614
  597   3HG2  VAL  75          3HG2      VAL  75   1.115  -5.430  -5.334
  598    H    VAL  76           H        VAL  76   0.759  -5.216  -2.430
  599    HA   VAL  76           HA       VAL  76   1.454  -2.371  -2.785
  600    HB   VAL  76           HB       VAL  76   1.973  -3.993  -0.300
  601   1HG1  VAL  76          2HG1      VAL  76   2.159  -1.053  -0.921
  602   2HG1  VAL  76          1HG1      VAL  76   2.281  -1.735   0.700
  603   3HG1  VAL  76          3HG1      VAL  76   3.480  -2.151  -0.524
  604   1HG2  VAL  76          3HG2      VAL  76  -0.440  -3.784  -0.661
  605   2HG2  VAL  76          2HG2      VAL  76   0.093  -2.834   0.726
  606   3HG2  VAL  76          1HG2      VAL  76  -0.264  -2.036  -0.806
  607    H    LEU  77           H        LEU  77   3.370  -2.034  -3.713
  608    HA   LEU  77           HA       LEU  77   5.457  -4.096  -3.461
  609   1HB   LEU  77           HB2      LEU  77   5.015  -1.985  -5.569
  610   2HB   LEU  77           HB3      LEU  77   6.486  -2.930  -5.456
  611    HG   LEU  77           HG       LEU  77   3.709  -4.033  -5.945
  612   1HD1  LEU  77          3HD1      LEU  77   4.572  -2.796  -7.859
  613   2HD1  LEU  77          2HD1      LEU  77   6.068  -3.729  -7.799
  614   3HD1  LEU  77          1HD1      LEU  77   4.544  -4.528  -8.188
  615   1HD2  LEU  77          3HD2      LEU  77   5.469  -5.431  -4.667
  616   2HD2  LEU  77          2HD2      LEU  77   4.623  -6.158  -6.037
  617   3HD2  LEU  77          1HD2      LEU  77   6.267  -5.553  -6.236
  618    H    VAL  78           H        VAL  78   6.506  -3.476  -1.617
  619    HA   VAL  78           HA       VAL  78   7.217  -0.661  -1.312
  620    HB   VAL  78           HB       VAL  78   8.296  -2.324   0.768
  621   1HG1  VAL  78          3HG1      VAL  78   6.127  -0.209   0.721
  622   2HG1  VAL  78          2HG1      VAL  78   6.892  -0.848   2.178
  623   3HG1  VAL  78          1HG1      VAL  78   7.851   0.055   1.006
  624   1HG2  VAL  78          1HG2      VAL  78   6.557  -3.911   0.155
  625   2HG2  VAL  78          3HG2      VAL  78   6.205  -3.165   1.714
  626   3HG2  VAL  78          2HG2      VAL  78   5.341  -2.638   0.270
  627    H    LYS  79           H        LYS  79   8.922  -0.082  -2.469
  628    HA   LYS  79           HA       LYS  79  11.279  -1.841  -2.512
  629   1HB   LYS  79           HB2      LYS  79  10.134   0.100  -4.456
  630   2HB   LYS  79           HB3      LYS  79  11.882  -0.088  -4.419
  631   1HG   LYS  79           HG2      LYS  79  11.590  -2.517  -4.751
  632   2HG   LYS  79           HG3      LYS  79   9.842  -2.252  -4.915
  633   1HD   LYS  79           HD2      LYS  79  11.960  -0.988  -6.661
  634   2HD   LYS  79           HD3      LYS  79  11.020  -2.417  -7.092
  635   1HE   LYS  79           HE2      LYS  79   8.956  -1.108  -6.922
  636   2HE   LYS  79           HE3      LYS  79   9.901   0.321  -6.504
  637   1HZ   LYS  79           HZ3      LYS  79  10.981   0.192  -8.664
  638   2HZ   LYS  79           HZ2      LYS  79  10.069  -1.176  -9.064
  639   3HZ   LYS  79           HZ1      LYS  79   9.302   0.314  -8.841
  640    HA   PRO  80           HA       PRO  80  12.764   1.177   0.569
  641   1HB   PRO  80           HB2      PRO  80  15.162  -0.526   0.056
  642   2HB   PRO  80           HB3      PRO  80  14.488   0.041   1.588
  643   1HG   PRO  80           HG2      PRO  80  14.108  -2.468   0.788
  644   2HG   PRO  80           HG3      PRO  80  12.822  -1.567   1.605
  645   1HD   PRO  80           HD2      PRO  80  13.101  -2.280  -1.270
  646   2HD   PRO  80           HD3      PRO  80  11.637  -2.097  -0.285
  647    H    ARG  81           H        ARG  81  12.809   2.999  -0.753
  648    HA   ARG  81           HA       ARG  81  14.549   3.406  -2.920
  649   1HB   ARG  81           HB2      ARG  81  12.589   4.894  -1.483
  650   2HB   ARG  81           HB3      ARG  81  14.029   5.891  -1.627
  651   1HG   ARG  81           HG2      ARG  81  13.997   5.675  -4.018
  652   2HG   ARG  81           HG3      ARG  81  12.664   4.520  -3.928
  653   1HD   ARG  81           HD2      ARG  81  11.195   6.219  -3.040
  654   2HD   ARG  81           HD3      ARG  81  12.524   7.377  -2.976
  655    HE   ARG  81           HE       ARG  81  12.541   6.889  -5.544
  656   1HH1  ARG  81          1HH1      ARG  81   9.765   7.225  -3.466
  657   2HH1  ARG  81          2HH1      ARG  81   8.743   7.848  -4.718
  658   1HH2  ARG  81          1HH2      ARG  81  11.202   7.709  -7.197
  659   2HH2  ARG  81          2HH2      ARG  81   9.560   8.123  -6.838
  660    H    LYS  82           H        LYS  82  14.883   3.968   0.527
  661    HA   LYS  82           HA       LYS  82  17.689   4.761   0.095
  662   1HB   LYS  82           HB2      LYS  82  15.999   5.410   2.513
  663   2HB   LYS  82           HB3      LYS  82  17.583   6.060   2.110
  664   1HG   LYS  82           HG2      LYS  82  16.637   7.227   0.197
  665   2HG   LYS  82           HG3      LYS  82  15.050   6.543   0.553
  666   1HD   LYS  82           HD2      LYS  82  15.059   7.686   2.727
  667   2HD   LYS  82           HD3      LYS  82  16.628   8.393   2.339
  668   1HE   LYS  82           HE2      LYS  82  14.070   8.822   0.795
  669   2HE   LYS  82           HE3      LYS  82  14.794   9.966   1.925
  670   1HZ   LYS  82           HZ1      LYS  82  16.737  10.096   0.493
  671   2HZ   LYS  82           HZ3      LYS  82  16.039   9.002  -0.593
  672   3HZ   LYS  82           HZ2      LYS  82  15.338  10.523  -0.355
  673    H    ARG  83           H        ARG  83  18.784   4.414   2.506
  674    HA   ARG  83           HA       ARG  83  18.160   1.660   3.319
  675   1HB   ARG  83           HB2      ARG  83  20.950   2.726   2.863
  676   2HB   ARG  83           HB3      ARG  83  20.526   1.103   3.386
  677   1HG   ARG  83           HG2      ARG  83  19.418   0.696   1.250
  678   2HG   ARG  83           HG3      ARG  83  19.835   2.328   0.724
  679   1HD   ARG  83           HD2      ARG  83  22.231   1.751   1.025
  680   2HD   ARG  83           HD3      ARG  83  21.746   0.096   1.392
  681    HE   ARG  83           HE       ARG  83  20.603   0.706  -1.042
  682   1HH1  ARG  83          1HH1      ARG  83  23.819   0.514   0.283
  683   2HH1  ARG  83          2HH1      ARG  83  24.552   0.072  -1.223
  684   1HH2  ARG  83          1HH2      ARG  83  21.559   0.125  -3.029
  685   2HH2  ARG  83          2HH2      ARG  83  23.268  -0.148  -3.105
  686    H    GLY  84           H        GLY  84  17.750   1.591   5.413
  687   1HA   GLY  84           HA3      GLY  84  18.499   3.791   7.137
  688   2HA   GLY  84           HA2      GLY  84  19.307   2.276   7.510
  689    H    HIS  85           H        HIS  85  16.426   4.104   7.781
  690    HA   HIS  85           HA       HIS  85  15.110   1.843   9.138
  691   1HB   HIS  85           HB2      HIS  85  15.061   4.768   9.908
  692   2HB   HIS  85           HB3      HIS  85  14.124   3.502  10.694
  693    HD1  HIS  85           HD1      HIS  85  17.466   5.055  10.625
  694    HD2  HIS  85           HD2      HIS  85  15.698   1.641  12.205
  695    HE1  HIS  85           HE1      HIS  85  19.096   4.180  12.329
  696    HE2  HIS  85           HE2      HIS  85  18.041   2.070  13.214
  697    H    HIS  86           H        HIS  86  13.642   1.204   7.661
  698    HA   HIS  86           HA       HIS  86  11.780   3.244   6.626
  699   1HB   HIS  86           HB2      HIS  86  12.522   0.604   5.340
  700   2HB   HIS  86           HB3      HIS  86  11.424   1.812   4.680
  701    HD1  HIS  86           HD1      HIS  86  14.843   2.493   6.159
  702    HD2  HIS  86           HD2      HIS  86  12.863   2.618   2.509
  703    HE1  HIS  86           HE1      HIS  86  16.447   3.586   4.562
  704    HE2  HIS  86           HE2      HIS  86  15.184   3.750   2.389
  705    H    THR  87           H        THR  87   9.551   2.450   6.246
  706    HA   THR  87           HA       THR  87   8.714   0.037   7.571
  707    HB   THR  87           HB       THR  87   7.935   2.696   8.779
  708    HG1  THR  87           HG1      THR  87   9.921   2.080   9.574
  709   1HG2  THR  87          3HG2      THR  87   7.030  -0.120   9.380
  710   2HG2  THR  87          2HG2      THR  87   6.727   1.264  10.433
  711   3HG2  THR  87          1HG2      THR  87   6.034   1.223   8.809
  712    H    LEU  88           H        LEU  88   6.535  -0.501   7.194
  713    HA   LEU  88           HA       LEU  88   5.055   1.308   5.418
  714   1HB   LEU  88           HB2      LEU  88   6.200  -0.511   4.131
  715   2HB   LEU  88           HB3      LEU  88   5.230  -1.671   5.019
  716    HG   LEU  88           HG       LEU  88   3.189  -0.426   4.134
  717   1HD1  LEU  88          3HD1      LEU  88   5.337   0.777   2.404
  718   2HD1  LEU  88          2HD1      LEU  88   3.618   0.824   2.025
  719   3HD1  LEU  88          1HD1      LEU  88   4.224   1.622   3.477
  720   1HD2  LEU  88          3HD2      LEU  88   4.411  -2.587   3.222
  721   2HD2  LEU  88          2HD2      LEU  88   3.042  -1.863   2.378
  722   3HD2  LEU  88          1HD2      LEU  88   4.686  -1.540   1.831
  723    H    GLU  89           H        GLU  89   3.849   1.841   7.291
  724    HA   GLU  89           HA       GLU  89   2.334  -0.258   8.590
  725   1HB   GLU  89           HB2      GLU  89   1.321   1.980   9.670
  726   2HB   GLU  89           HB3      GLU  89   2.808   1.226  10.233
  727   1HG   GLU  89           HG2      GLU  89   4.152   2.769   9.090
  728   2HG   GLU  89           HG3      GLU  89   2.798   3.340   8.119
  729    H    LEU  90           H        LEU  90   0.713  -1.054   7.441
  730    HA   LEU  90           HA       LEU  90  -0.958   0.692   5.820
  731   1HB   LEU  90           HB2      LEU  90  -0.768  -2.284   6.161
  732   2HB   LEU  90           HB3      LEU  90  -2.172  -1.566   5.403
  733    HG   LEU  90           HG       LEU  90   0.668  -1.253   4.429
  734   1HD1  LEU  90          1HD1      LEU  90  -1.601  -2.943   3.389
  735   2HD1  LEU  90          3HD1      LEU  90  -0.058  -2.690   2.573
  736   3HD1  LEU  90          2HD1      LEU  90  -0.108  -3.527   4.124
  737   1HD2  LEU  90          1HD2      LEU  90  -1.978  -0.255   3.414
  738   2HD2  LEU  90          3HD2      LEU  90  -0.517   0.668   3.772
  739   3HD2  LEU  90          2HD2      LEU  90  -0.560  -0.408   2.375
  740    H    VAL  91           H        VAL  91  -3.389   0.335   5.997
  741    HA   VAL  91           HA       VAL  91  -4.326  -0.336   8.654
  742    HB   VAL  91           HB       VAL  91  -3.608   1.909   9.075
  743   1HG1  VAL  91          2HG1      VAL  91  -5.183   2.690   6.624
  744   2HG1  VAL  91          1HG1      VAL  91  -4.427   3.820   7.748
  745   3HG1  VAL  91          3HG1      VAL  91  -3.426   2.716   6.802
  746   1HG2  VAL  91          3HG2      VAL  91  -6.594   1.864   8.657
  747   2HG2  VAL  91          2HG2      VAL  91  -5.730   1.291  10.085
  748   3HG2  VAL  91          1HG2      VAL  91  -5.715   3.006   9.675
  749    H    TYR  92           H        TYR  92  -6.538  -0.657   8.778
  750    HA   TYR  92           HA       TYR  92  -7.948  -0.819   6.212
  751   1HB   TYR  92           HB2      TYR  92  -7.722  -2.793   7.838
  752   2HB   TYR  92           HB3      TYR  92  -8.861  -1.933   8.865
  753    HD1  TYR  92           HD1      TYR  92 -10.845  -3.116   8.825
  754    HD2  TYR  92           HD2      TYR  92  -8.794  -2.417   5.165
  755    HE1  TYR  92           HE1      TYR  92 -12.713  -4.134   7.591
  756    HE2  TYR  92           HE2      TYR  92 -10.656  -3.430   3.921
  757    HH   TYR  92           HH       TYR  92 -13.673  -4.080   5.333
  758    H    THR  93           H        THR  93  -8.382   1.461   6.077
  759    HA   THR  93           HA       THR  93 -10.409   2.416   8.001
  760    HB   THR  93           HB       THR  93  -8.311   3.633   8.236
  761    HG1  THR  93           HG1      THR  93 -10.304   4.789   8.471
  762   1HG2  THR  93          2HG2      THR  93  -8.614   3.881   5.276
  763   2HG2  THR  93          1HG2      THR  93  -7.841   5.200   6.163
  764   3HG2  THR  93          3HG2      THR  93  -7.169   3.570   6.241
  765    H    ARG  94           H        ARG  94 -11.968   3.936   7.217
  766    HA   ARG  94           HA       ARG  94 -12.658   3.522   4.397
  767   1HB   ARG  94           HB2      ARG  94 -14.239   4.154   6.853
  768   2HB   ARG  94           HB3      ARG  94 -14.860   4.676   5.295
  769   1HG   ARG  94           HG2      ARG  94 -14.795   2.370   4.497
  770   2HG   ARG  94           HG3      ARG  94 -14.179   1.850   6.064
  771   1HD   ARG  94           HD2      ARG  94 -16.515   1.424   6.056
  772   2HD   ARG  94           HD3      ARG  94 -16.244   2.821   7.097
  773    HE   ARG  94           HE       ARG  94 -16.797   3.982   4.747
  774   1HH1  ARG  94          1HH1      ARG  94 -18.395   1.433   6.505
  775   2HH1  ARG  94          2HH1      ARG  94 -19.969   1.827   5.898
  776   1HH2  ARG  94          1HH2      ARG  94 -18.865   4.509   3.945
  777   2HH2  ARG  94          2HH2      ARG  94 -20.236   3.575   4.443
  778    HA   PRO  95           HA       PRO  95 -10.779   7.652   3.857
  779   1HB   PRO  95           HB2      PRO  95 -12.074   7.150   1.219
  780   2HB   PRO  95           HB3      PRO  95 -10.455   7.752   1.580
  781   1HG   PRO  95           HG2      PRO  95 -10.882   5.220   0.796
  782   2HG   PRO  95           HG3      PRO  95  -9.610   5.643   1.954
  783   1HD   PRO  95           HD2      PRO  95 -12.185   4.267   2.405
  784   2HD   PRO  95           HD3      PRO  95 -10.680   4.185   3.335
  785    H    PHE  96           H        PHE  96 -14.037   6.701   2.790
  786    HA   PHE  96           HA       PHE  96 -15.020   9.347   2.566
  787   1HB   PHE  96           HB2      PHE  96 -16.365   6.656   2.717
  788   2HB   PHE  96           HB3      PHE  96 -17.226   8.156   2.444
  789    HD1  PHE  96           HD1      PHE  96 -14.722   5.857   1.043
  790    HD2  PHE  96           HD2      PHE  96 -17.255   9.199   0.316
  791    HE1  PHE  96           HE1      PHE  96 -14.273   5.668  -1.368
  792    HE2  PHE  96           HE2      PHE  96 -16.812   9.015  -2.098
  793    HZ   PHE  96           HZ       PHE  96 -15.319   7.247  -2.943
  794    H    GLU  97           H        GLU  97 -13.987   8.032   5.282
  795    HA   GLU  97           HA       GLU  97 -15.873   9.532   6.911
  796   1HB   GLU  97           HB2      GLU  97 -15.370   6.581   7.279
  797   2HB   GLU  97           HB3      GLU  97 -16.041   7.604   8.542
  798   1HG   GLU  97           HG2      GLU  97 -17.899   8.183   6.989
  799   2HG   GLU  97           HG3      GLU  97 -17.256   6.991   5.860
  800    H    GLY  98           H        GLY  98 -12.811   8.927   6.108
  801   1HA   GLY  98           HA3      GLY  98 -11.801  10.032   8.589
  802   2HA   GLY  98           HA2      GLY  98 -10.872   9.749   7.123
  803    H    ILE  99           H        ILE  99  -9.654   9.133   9.400
  804    HA   ILE  99           HA       ILE  99  -9.756   6.196   9.419
  805    HB   ILE  99           HB       ILE  99  -7.357   7.774  10.260
  806   1HG1  ILE  99          2HG1      ILE  99  -7.905   6.845   7.437
  807   2HG1  ILE  99          3HG1      ILE  99  -8.127   8.508   7.967
  808   1HG2  ILE  99          2HG2      ILE  99  -7.996   4.972   9.486
  809   2HG2  ILE  99          1HG2      ILE  99  -6.374   5.588   9.158
  810   3HG2  ILE  99          3HG2      ILE  99  -6.997   5.578  10.807
  811   1HD1  ILE  99          1HD1      ILE  99  -5.751   8.643   8.524
  812   2HD1  ILE  99          3HD1      ILE  99  -5.531   6.980   7.980
  813   3HD1  ILE  99          2HD1      ILE  99  -6.004   8.230   6.828
  814    H    LYS 100           H        LYS 100  -9.447   5.078  11.350
  815    HA   LYS 100           HA       LYS 100  -9.637   6.629  13.834
  816   1HB   LYS 100           HB2      LYS 100 -11.197   4.401  14.325
  817   2HB   LYS 100           HB3      LYS 100 -11.787   6.028  14.042
  818   1HG   LYS 100           HG2      LYS 100 -11.833   5.451  11.582
  819   2HG   LYS 100           HG3      LYS 100 -11.539   3.780  12.065
  820   1HD   LYS 100           HD2      LYS 100 -13.871   3.946  11.833
  821   2HD   LYS 100           HD3      LYS 100 -13.577   4.023  13.571
  822   1HE   LYS 100           HE2      LYS 100 -13.707   6.489  13.446
  823   2HE   LYS 100           HE3      LYS 100 -14.102   6.355  11.732
  824   1HZ   LYS 100           HZ2      LYS 100 -15.710   5.236  13.964
  825   2HZ   LYS 100           HZ1      LYS 100 -16.085   6.629  13.081
  826   3HZ   LYS 100           HZ3      LYS 100 -16.088   5.117  12.321
  827    HA   PRO 101           HA       PRO 101  -6.785   3.659  15.425
  828   1HB   PRO 101           HB2      PRO 101  -7.449   3.486  18.023
  829   2HB   PRO 101           HB3      PRO 101  -6.788   4.966  17.328
  830   1HG   PRO 101           HG2      PRO 101  -9.628   4.281  17.957
  831   2HG   PRO 101           HG3      PRO 101  -8.757   5.801  18.229
  832   1HD   PRO 101           HD2      PRO 101 -10.438   5.370  16.118
  833   2HD   PRO 101           HD3      PRO 101  -9.088   6.518  16.085
  834    H    GLU 102           H        GLU 102 -10.162   3.044  15.691
  835    HA   GLU 102           HA       GLU 102  -9.946   0.358  16.669
  836   1HB   GLU 102           HB2      GLU 102 -12.347   0.209  16.135
  837   2HB   GLU 102           HB3      GLU 102 -11.958   1.627  17.102
  838   1HG   GLU 102           HG2      GLU 102 -12.008   3.013  15.127
  839   2HG   GLU 102           HG3      GLU 102 -12.339   1.603  14.126
  840    H    ASN 103           H        ASN 103  -9.049   1.639  13.817
  841    HA   ASN 103           HA       ASN 103 -10.095  -0.378  12.037
  842   1HB   ASN 103           HB2      ASN 103  -8.030   1.791  11.640
  843   2HB   ASN 103           HB3      ASN 103  -8.594   0.719  10.363
  844   1HD2  ASN 103          1HD2      ASN 103 -11.336   0.722  11.492
  845   2HD2  ASN 103          2HD2      ASN 103 -12.011   2.242  11.031
  846    H    GLU 104           H        GLU 104  -8.904  -1.981  10.972
  847    HA   GLU 104           HA       GLU 104  -7.048  -3.387  12.504
  848   1HB   GLU 104           HB2      GLU 104  -8.581  -3.934  10.324
  849   2HB   GLU 104           HB3      GLU 104  -6.983  -3.851   9.594
  850   1HG   GLU 104           HG2      GLU 104  -6.180  -5.493  11.213
  851   2HG   GLU 104           HG3      GLU 104  -7.800  -5.614  11.887
  852    H    ARG 105           H        ARG 105  -4.863  -4.097  11.533
  853    HA   ARG 105           HA       ARG 105  -3.443  -1.819  10.342
  854   1HB   ARG 105           HB2      ARG 105  -3.107  -1.671  12.765
  855   2HB   ARG 105           HB3      ARG 105  -2.561  -3.338  12.805
  856   1HG   ARG 105           HG2      ARG 105  -0.526  -2.329  12.803
  857   2HG   ARG 105           HG3      ARG 105  -0.800  -2.389  11.053
  858   1HD   ARG 105           HD2      ARG 105  -0.075  -0.179  11.645
  859   2HD   ARG 105           HD3      ARG 105  -1.772  -0.119  11.162
  860    HE   ARG 105           HE       ARG 105  -1.678  -0.458  13.926
  861   1HH1  ARG 105          1HH1      ARG 105  -0.828   1.938  11.541
  862   2HH1  ARG 105          2HH1      ARG 105  -1.068   3.278  12.612
  863   1HH2  ARG 105          1HH2      ARG 105  -1.996   1.302  15.344
  864   2HH2  ARG 105          2HH2      ARG 105  -1.731   2.916  14.774
  865    H    TYR 106           H        TYR 106  -1.398  -2.361   9.414
  866    HA   TYR 106           HA       TYR 106  -0.489  -5.055   9.234
  867   1HB   TYR 106           HB2      TYR 106  -2.335  -5.120   7.576
  868   2HB   TYR 106           HB3      TYR 106  -1.536  -3.832   6.672
  869    HD1  TYR 106           HD1      TYR 106   0.738  -4.321   5.656
  870    HD2  TYR 106           HD2      TYR 106  -1.706  -7.355   7.357
  871    HE1  TYR 106           HE1      TYR 106   2.057  -6.023   4.483
  872    HE2  TYR 106           HE2      TYR 106  -0.404  -9.067   6.185
  873    HH   TYR 106           HH       TYR 106   2.577  -8.421   4.693
  874    H    THR 107           H        THR 107   1.133  -3.697  10.241
  875    HA   THR 107           HA       THR 107   2.551  -1.855   8.524
  876    HB   THR 107           HB       THR 107   3.347  -2.808  11.279
  877    HG1  THR 107           HG1      THR 107   1.898  -1.471  12.053
  878   1HG2  THR 107          3HG2      THR 107   4.098  -0.352   9.690
  879   2HG2  THR 107          2HG2      THR 107   4.592  -0.687  11.349
  880   3HG2  THR 107          1HG2      THR 107   5.146  -1.728  10.036
  881    H    LEU 108           H        LEU 108   4.717  -2.084   7.899
  882    HA   LEU 108           HA       LEU 108   5.895  -4.739   8.152
  883   1HB   LEU 108           HB2      LEU 108   4.769  -4.941   6.078
  884   2HB   LEU 108           HB3      LEU 108   5.274  -3.354   5.553
  885    HG   LEU 108           HG       LEU 108   7.565  -4.123   5.293
  886   1HD1  LEU 108          2HD1      LEU 108   7.615  -5.709   7.150
  887   2HD1  LEU 108          1HD1      LEU 108   6.557  -6.797   6.249
  888   3HD1  LEU 108          3HD1      LEU 108   8.180  -6.450   5.651
  889   1HD2  LEU 108          3HD2      LEU 108   5.995  -4.431   3.430
  890   2HD2  LEU 108          2HD2      LEU 108   7.258  -5.663   3.453
  891   3HD2  LEU 108          1HD2      LEU 108   5.634  -6.054   4.020
  892    H    HIS 109           H        HIS 109   7.382  -3.821   9.525
  893    HA   HIS 109           HA       HIS 109   8.956  -1.548   8.795
  894   1HB   HIS 109           HB2      HIS 109   8.947  -3.487  11.041
  895   2HB   HIS 109           HB3      HIS 109  10.377  -2.508  10.783
  896    HD1  HIS 109           HD1      HIS 109  10.321  -0.197  11.736
  897    HD2  HIS 109           HD2      HIS 109   6.549  -1.923  11.522
  898    HE1  HIS 109           HE1      HIS 109   8.785   1.397  12.931
  899    HE2  HIS 109           HE2      HIS 109   6.492   0.373  12.712
  900    H    LEU 110           H        LEU 110  11.062  -1.485   8.142
  901    HA   LEU 110           HA       LEU 110  12.403  -3.959   7.408
  902   1HB   LEU 110           HB2      LEU 110  11.801  -1.761   5.432
  903   2HB   LEU 110           HB3      LEU 110  12.833  -3.140   5.119
  904    HG   LEU 110           HG       LEU 110   9.878  -3.305   5.734
  905   1HD1  LEU 110          3HD1      LEU 110  11.342  -3.519   3.107
  906   2HD1  LEU 110          2HD1      LEU 110   9.626  -3.840   3.357
  907   3HD1  LEU 110          1HD1      LEU 110  10.262  -2.214   3.597
  908   1HD2  LEU 110          1HD2      LEU 110  11.260  -5.284   6.364
  909   2HD2  LEU 110          3HD2      LEU 110  10.040  -5.609   5.132
  910   3HD2  LEU 110          2HD2      LEU 110  11.731  -5.426   4.670
  911    H    ASN 111           H        ASN 111  14.186  -3.620   8.650
  912    HA   ASN 111           HA       ASN 111  15.474  -1.041   8.750
  913   1HB   ASN 111           HB2      ASN 111  15.457  -2.594  10.704
  914   2HB   ASN 111           HB3      ASN 111  16.461  -3.710   9.789
  915   1HD2  ASN 111          1HD2      ASN 111  18.615  -3.257   9.475
  916   2HD2  ASN 111          2HD2      ASN 111  19.439  -2.000  10.324
  917    H    VAL 112           H        VAL 112  15.415  -1.290   6.287
  918    HA   VAL 112           HA       VAL 112  16.853  -2.875   4.678
  919    HB   VAL 112           HB       VAL 112  17.221   0.068   4.277
  920   1HG1  VAL 112          3HG1      VAL 112  18.048  -1.569   2.627
  921   2HG1  VAL 112          2HG1      VAL 112  16.396  -2.150   2.416
  922   3HG1  VAL 112          1HG1      VAL 112  16.813  -0.497   1.967
  923   1HG2  VAL 112          3HG2      VAL 112  14.599  -1.408   4.143
  924   2HG2  VAL 112          2HG2      VAL 112  14.987   0.023   5.099
  925   3HG2  VAL 112          1HG2      VAL 112  14.894   0.136   3.344
  926    H    LYS 113           H        LYS 113  18.939  -3.221   4.059
  927    HA   LYS 113           HA       LYS 113  21.000  -2.393   5.904
  928   1HB   LYS 113           HB2      LYS 113  21.087  -4.184   3.472
  929   2HB   LYS 113           HB3      LYS 113  22.433  -3.923   4.574
  930   1HG   LYS 113           HG2      LYS 113  19.771  -5.052   5.407
  931   2HG   LYS 113           HG3      LYS 113  21.171  -6.030   4.964
  932   1HD   LYS 113           HD2      LYS 113  22.456  -5.079   6.780
  933   2HD   LYS 113           HD3      LYS 113  21.130  -3.987   7.185
  934   1HE   LYS 113           HE2      LYS 113  19.719  -5.883   7.757
  935   2HE   LYS 113           HE3      LYS 113  21.007  -6.998   7.302
  936   1HZ   LYS 113           HZ1      LYS 113  21.146  -5.009   9.503
  937   2HZ   LYS 113           HZ3      LYS 113  20.915  -6.675   9.693
  938   3HZ   LYS 113           HZ2      LYS 113  22.375  -6.087   9.071

  No H/Q in entry =         938
  Start of MODEL    3
    1    H1   GLY  -2           HT3      GLY  -2 -26.989 -22.779  18.886
    2    H2   GLY  -2           HT2      GLY  -2 -25.884 -23.868  18.210
    3    H3   GLY  -2           HT1      GLY  -2 -26.160 -23.871  19.879
    4   1HA   GLY  -2           HA2      GLY  -2 -24.062 -22.799  19.385
    5   2HA   GLY  -2           HA3      GLY  -2 -25.209 -21.668  20.086
    6    H    SER  -1           H        SER  -1 -23.311 -20.406  18.901
    7    HA   SER  -1           HA       SER  -1 -23.943 -19.975  16.086
    8   1HB   SER  -1           HB2      SER  -1 -24.178 -17.537  16.410
    9   2HB   SER  -1           HB3      SER  -1 -25.437 -18.432  17.262
   10    HG   SER  -1           HG       SER  -1 -24.260 -16.672  18.425
   11    H    HIS   0           H        HIS   0 -22.313 -18.862  14.925
   12    HA   HIS   0           HA       HIS   0 -19.680 -19.130  16.141
   13   1HB   HIS   0           HB2      HIS   0 -20.484 -18.515  13.289
   14   2HB   HIS   0           HB3      HIS   0 -18.836 -18.792  13.843
   15    HD1  HIS   0           HD1      HIS   0 -18.061 -21.180  14.034
   16    HD2  HIS   0           HD2      HIS   0 -22.149 -20.859  13.365
   17    HE1  HIS   0           HE1      HIS   0 -18.852 -23.522  13.572
   18    HE2  HIS   0           HE2      HIS   0 -21.312 -23.290  13.083
   19    H    MET   1           H        MET   1 -18.192 -17.476  16.339
   20    HA   MET   1           HA       MET   1 -19.141 -14.754  15.768
   21   1HB   MET   1           HB2      MET   1 -17.823 -15.662  18.332
   22   2HB   MET   1           HB3      MET   1 -18.205 -13.996  17.923
   23   1HG   MET   1           HG2      MET   1 -20.583 -14.556  17.865
   24   2HG   MET   1           HG3      MET   1 -20.195 -16.224  18.284
   25   1HE   MET   1           HE1      MET   1 -22.288 -14.440  19.899
   26   2HE   MET   1           HE3      MET   1 -21.902 -16.107  20.325
   27   3HE   MET   1           HE2      MET   1 -21.857 -14.850  21.560
   28    H    ILE   2           H        ILE   2 -17.113 -13.221  16.425
   29    HA   ILE   2           HA       ILE   2 -15.175 -13.698  14.439
   30    HB   ILE   2           HB       ILE   2 -14.973 -11.813  16.792
   31   1HG1  ILE   2          2HG1      ILE   2 -16.011 -11.291  13.996
   32   2HG1  ILE   2          3HG1      ILE   2 -17.028 -11.502  15.418
   33   1HG2  ILE   2          2HG2      ILE   2 -12.835 -12.185  15.695
   34   2HG2  ILE   2          1HG2      ILE   2 -13.558 -11.817  14.128
   35   3HG2  ILE   2          3HG2      ILE   2 -13.428 -10.559  15.357
   36   1HD1  ILE   2          2HD1      ILE   2 -16.031  -9.519  16.427
   37   2HD1  ILE   2          1HD1      ILE   2 -15.014  -9.307  15.002
   38   3HD1  ILE   2          3HD1      ILE   2 -16.766  -9.157  14.865
   39    H    ALA   3           H        ALA   3 -15.233 -14.333  17.891
   40    HA   ALA   3           HA       ALA   3 -13.846 -15.484  19.277
   41   1HB   ALA   3           HB3      ALA   3 -14.263 -17.277  17.663
   42   2HB   ALA   3           HB2      ALA   3 -12.875 -16.745  16.715
   43   3HB   ALA   3           HB1      ALA   3 -12.639 -17.379  18.344
   44    HA   PRO   4           HA       PRO   4 -10.304 -12.642  18.623
   45   1HB   PRO   4           HB2      PRO   4 -10.086 -11.868  21.198
   46   2HB   PRO   4           HB3      PRO   4 -11.274 -11.160  20.097
   47   1HG   PRO   4           HG2      PRO   4 -11.642 -13.291  22.170
   48   2HG   PRO   4           HG3      PRO   4 -12.676 -11.897  21.804
   49   1HD   PRO   4           HD2      PRO   4 -13.207 -14.410  20.912
   50   2HD   PRO   4           HD3      PRO   4 -13.676 -12.949  20.021
   51    H    LEU   5           H        LEU   5 -10.694 -15.622  19.962
   52    HA   LEU   5           HA       LEU   5  -8.442 -15.947  21.609
   53   1HB   LEU   5           HB2      LEU   5  -9.980 -17.902  19.909
   54   2HB   LEU   5           HB3      LEU   5  -8.659 -18.391  20.951
   55    HG   LEU   5           HG       LEU   5  -9.962 -17.380  22.878
   56   1HD1  LEU   5          1HD1      LEU   5 -12.159 -17.383  20.814
   57   2HD1  LEU   5          3HD1      LEU   5 -12.384 -17.147  22.548
   58   3HD1  LEU   5          2HD1      LEU   5 -11.468 -15.968  21.609
   59   1HD2  LEU   5          3HD2      LEU   5  -9.819 -19.781  22.507
   60   2HD2  LEU   5          2HD2      LEU   5 -11.419 -19.331  23.097
   61   3HD2  LEU   5          1HD2      LEU   5 -11.181 -19.701  21.389
   62    H    SER   6           H        SER   6  -8.804 -15.848  18.155
   63    HA   SER   6           HA       SER   6  -6.257 -17.025  17.561
   64   1HB   SER   6           HB2      SER   6  -8.085 -17.127  15.934
   65   2HB   SER   6           HB3      SER   6  -8.110 -15.367  15.831
   66    HG   SER   6           HG       SER   6  -6.356 -17.186  14.711
   67    H    VAL   7           H        VAL   7  -4.703 -15.698  16.121
   68    HA   VAL   7           HA       VAL   7  -4.225 -13.116  17.459
   69    HB   VAL   7           HB       VAL   7  -1.820 -13.462  16.894
   70   1HG1  VAL   7          2HG1      VAL   7  -2.667 -13.968  19.121
   71   2HG1  VAL   7          1HG1      VAL   7  -3.092 -15.599  18.602
   72   3HG1  VAL   7          3HG1      VAL   7  -1.399 -15.105  18.663
   73   1HG2  VAL   7          3HG2      VAL   7  -2.753 -16.228  16.134
   74   2HG2  VAL   7          2HG2      VAL   7  -2.086 -15.016  15.042
   75   3HG2  VAL   7          1HG2      VAL   7  -1.072 -15.723  16.298
   76    H    LYS   8           H        LYS   8  -3.986 -11.320  16.259
   77    HA   LYS   8           HA       LYS   8  -4.131 -11.611  13.339
   78   1HB   LYS   8           HB2      LYS   8  -5.179  -9.587  15.266
   79   2HB   LYS   8           HB3      LYS   8  -4.784  -9.083  13.635
   80   1HG   LYS   8           HG2      LYS   8  -7.148  -9.647  13.865
   81   2HG   LYS   8           HG3      LYS   8  -6.332 -10.722  12.728
   82   1HD   LYS   8           HD2      LYS   8  -6.129 -12.418  14.487
   83   2HD   LYS   8           HD3      LYS   8  -6.969 -11.345  15.609
   84   1HE   LYS   8           HE2      LYS   8  -8.943 -11.379  14.157
   85   2HE   LYS   8           HE3      LYS   8  -8.103 -12.463  13.048
   86   1HZ   LYS   8           HZ3      LYS   8  -8.762 -13.076  15.878
   87   2HZ   LYS   8           HZ2      LYS   8  -9.594 -13.664  14.528
   88   3HZ   LYS   8           HZ1      LYS   8  -7.986 -14.117  14.793
   89    H    ASP   9           H        ASP   9  -1.712 -11.697  15.018
   90    HA   ASP   9           HA       ASP   9  -0.124  -9.550  15.203
   91   1HB   ASP   9           HB2      ASP   9   0.822 -12.089  13.875
   92   2HB   ASP   9           HB3      ASP   9   1.769 -10.963  14.834
   93    H    ASN  10           H        ASN  10   0.335  -7.910  13.922
   94    HA   ASN  10           HA       ASN  10   0.374  -8.339  11.017
   95   1HB   ASN  10           HB2      ASN  10   0.116  -5.635  11.337
   96   2HB   ASN  10           HB3      ASN  10  -1.214  -6.753  11.043
   97   1HD2  ASN  10          1HD2      ASN  10   0.412  -4.754  13.341
   98   2HD2  ASN  10          2HD2      ASN  10  -0.772  -4.858  14.594
   99    H    ASP  11           H        ASP  11   1.459  -5.566  12.818
  100    HA   ASP  11           HA       ASP  11   3.537  -4.649  11.571
  101   1HB   ASP  11           HB2      ASP  11   3.879  -5.276  14.498
  102   2HB   ASP  11           HB3      ASP  11   4.509  -3.900  13.600
  103    H    LYS  12           H        LYS  12   4.857  -5.798  10.322
  104    HA   LYS  12           HA       LYS  12   6.263  -8.108  11.405
  105   1HB   LYS  12           HB2      LYS  12   5.330  -8.469   9.240
  106   2HB   LYS  12           HB3      LYS  12   5.998  -6.964   8.626
  107   1HG   LYS  12           HG2      LYS  12   7.261  -8.802   7.756
  108   2HG   LYS  12           HG3      LYS  12   8.255  -7.894   8.895
  109   1HD   LYS  12           HD2      LYS  12   7.821  -9.550  10.625
  110   2HD   LYS  12           HD3      LYS  12   6.774 -10.446   9.523
  111   1HE   LYS  12           HE2      LYS  12   8.678 -10.832   8.034
  112   2HE   LYS  12           HE3      LYS  12   9.723  -9.942   9.139
  113   1HZ   LYS  12           HZ2      LYS  12   9.270 -11.598  10.842
  114   2HZ   LYS  12           HZ1      LYS  12   8.274 -12.455   9.776
  115   3HZ   LYS  12           HZ3      LYS  12   9.932 -12.321   9.462
  116    H    TRP  13           H        TRP  13   7.714  -7.146  12.810
  117    HA   TRP  13           HA       TRP  13   9.466  -5.034  11.996
  118   1HB   TRP  13           HB2      TRP  13   9.867  -6.774  14.411
  119   2HB   TRP  13           HB3      TRP  13  10.244  -5.071  14.199
  120    HD1  TRP  13           HD1      TRP  13   7.236  -7.395  14.780
  121    HE1  TRP  13           HE1      TRP  13   5.295  -6.010  15.742
  122    HE3  TRP  13           HE3      TRP  13   9.329  -2.737  14.479
  123    HZ2  TRP  13           HZ2      TRP  13   4.709  -3.302  16.293
  124    HZ3  TRP  13           HZ3      TRP  13   8.016  -0.806  15.254
  125    HH2  TRP  13           HH2      TRP  13   5.761  -1.084  16.147
  126    H    VAL  14           H        VAL  14  10.898  -5.517  10.403
  127    HA   VAL  14           HA       VAL  14  12.923  -7.519  11.010
  128    HB   VAL  14           HB       VAL  14  10.997  -8.707   9.832
  129   1HG1  VAL  14          2HG1      VAL  14  10.513  -6.990   8.175
  130   2HG1  VAL  14          1HG1      VAL  14  12.106  -7.230   7.457
  131   3HG1  VAL  14          3HG1      VAL  14  10.911  -8.526   7.405
  132   1HG2  VAL  14          2HG2      VAL  14  13.498  -9.385   9.993
  133   2HG2  VAL  14          1HG2      VAL  14  12.415 -10.251   8.902
  134   3HG2  VAL  14          3HG2      VAL  14  13.507  -9.024   8.267
  135    H    ASP  15           H        ASP  15  14.428  -7.706   9.017
  136    HA   ASP  15           HA       ASP  15  15.155  -4.973   8.257
  137   1HB   ASP  15           HB2      ASP  15  16.633  -7.530   8.671
  138   2HB   ASP  15           HB3      ASP  15  17.320  -6.338   7.568
  139    H    THR  16           H        THR  16  16.581  -5.141   6.041
  140    HA   THR  16           HA       THR  16  15.676  -6.907   4.038
  141    HB   THR  16           HB       THR  16  13.594  -5.455   4.531
  142    HG1  THR  16           HG1      THR  16  13.011  -6.101   2.591
  143   1HG2  THR  16          2HG2      THR  16  14.815  -3.297   4.495
  144   2HG2  THR  16          1HG2      THR  16  15.114  -3.535   2.774
  145   3HG2  THR  16          3HG2      THR  16  13.463  -3.348   3.364
  146    H    HIS  17           H        HIS  17  15.892  -5.626   1.751
  147    HA   HIS  17           HA       HIS  17  18.484  -4.230   1.871
  148   1HB   HIS  17           HB2      HIS  17  17.439  -6.354   0.072
  149   2HB   HIS  17           HB3      HIS  17  18.491  -5.144  -0.644
  150    HD1  HIS  17           HD1      HIS  17  18.517  -8.203   1.366
  151    HD2  HIS  17           HD2      HIS  17  21.132  -5.075   0.563
  152    HE1  HIS  17           HE1      HIS  17  20.783  -9.018   2.090
  153    HE2  HIS  17           HE2      HIS  17  22.333  -7.075   1.679
  154    H    VAL  18           H        VAL  18  18.645  -3.293  -0.704
  155    HA   VAL  18           HA       VAL  18  16.740  -1.118  -0.583
  156    HB   VAL  18           HB       VAL  18  19.083  -0.614  -1.045
  157   1HG1  VAL  18          1HG1      VAL  18  19.688  -2.638  -2.252
  158   2HG1  VAL  18          3HG1      VAL  18  18.660  -2.157  -3.602
  159   3HG1  VAL  18          2HG1      VAL  18  20.089  -1.206  -3.200
  160   1HG2  VAL  18          3HG2      VAL  18  17.341   0.893  -1.882
  161   2HG2  VAL  18          2HG2      VAL  18  18.749   0.877  -2.944
  162   3HG2  VAL  18          1HG2      VAL  18  17.291  -0.007  -3.397
  163    H    GLY  19           H        GLY  19  15.166  -0.621  -1.978
  164   1HA   GLY  19           HA3      GLY  19  14.749  -1.475  -4.569
  165   2HA   GLY  19           HA2      GLY  19  13.480  -0.969  -3.474
  166    H    LYS  20           H        LYS  20  14.268  -3.311  -1.665
  167    HA   LYS  20           HA       LYS  20  13.737  -5.675  -3.126
  168   1HB   LYS  20           HB2      LYS  20  14.551  -5.127  -0.570
  169   2HB   LYS  20           HB3      LYS  20  12.908  -5.672  -0.304
  170   1HG   LYS  20           HG2      LYS  20  14.124  -7.619  -0.134
  171   2HG   LYS  20           HG3      LYS  20  13.566  -7.659  -1.811
  172   1HD   LYS  20           HD2      LYS  20  15.652  -7.033  -2.643
  173   2HD   LYS  20           HD3      LYS  20  16.170  -6.409  -1.082
  174   1HE   LYS  20           HE2      LYS  20  17.299  -8.513  -1.615
  175   2HE   LYS  20           HE3      LYS  20  16.271  -8.680  -0.194
  176   1HZ   LYS  20           HZ3      LYS  20  14.578  -9.700  -1.587
  177   2HZ   LYS  20           HZ2      LYS  20  15.571  -9.546  -2.948
  178   3HZ   LYS  20           HZ1      LYS  20  16.029 -10.565  -1.677
  179    H    THR  21           H        THR  21  11.978  -5.013  -4.439
  180    HA   THR  21           HA       THR  21   9.548  -3.996  -3.646
  181    HB   THR  21           HB       THR  21   9.715  -6.098  -5.786
  182    HG1  THR  21           HG1      THR  21  11.250  -4.910  -6.639
  183   1HG2  THR  21          2HG2      THR  21   7.521  -5.120  -5.286
  184   2HG2  THR  21          1HG2      THR  21   8.177  -3.506  -5.554
  185   3HG2  THR  21          3HG2      THR  21   8.079  -4.650  -6.892
  186    H    THR  22           H        THR  22   8.701  -4.807  -1.774
  187    HA   THR  22           HA       THR  22   8.162  -7.666  -1.586
  188    HB   THR  22           HB       THR  22   7.685  -5.427   0.395
  189    HG1  THR  22           HG1      THR  22   9.870  -5.968   0.192
  190   1HG2  THR  22          2HG2      THR  22   7.297  -8.404   0.734
  191   2HG2  THR  22          1HG2      THR  22   7.180  -7.201   2.017
  192   3HG2  THR  22          3HG2      THR  22   6.018  -7.191   0.691
  193    H    GLU  23           H        GLU  23   6.536  -8.215  -2.864
  194    HA   GLU  23           HA       GLU  23   4.192  -6.579  -3.183
  195   1HB   GLU  23           HB2      GLU  23   5.222  -7.835  -5.049
  196   2HB   GLU  23           HB3      GLU  23   4.832  -9.338  -4.227
  197   1HG   GLU  23           HG2      GLU  23   2.519  -9.009  -4.507
  198   2HG   GLU  23           HG3      GLU  23   2.750  -7.328  -4.976
  199    H    ILE  24           H        ILE  24   2.339  -6.785  -2.121
  200    HA   ILE  24           HA       ILE  24   1.740  -9.298  -0.746
  201    HB   ILE  24           HB       ILE  24   1.497  -6.594   0.544
  202   1HG1  ILE  24          2HG1      ILE  24   3.421  -8.860   1.068
  203   2HG1  ILE  24          3HG1      ILE  24   3.831  -7.286   0.401
  204   1HG2  ILE  24          1HG2      ILE  24  -0.256  -8.159   1.210
  205   2HG2  ILE  24          3HG2      ILE  24   0.969  -9.352   1.642
  206   3HG2  ILE  24          2HG2      ILE  24   0.853  -7.840   2.544
  207   1HD1  ILE  24          2HD1      ILE  24   3.177  -6.232   2.508
  208   2HD1  ILE  24          1HD1      ILE  24   2.808  -7.822   3.177
  209   3HD1  ILE  24          3HD1      ILE  24   4.464  -7.417   2.727
  210    H    HIS  25           H        HIS  25   0.055  -9.831  -2.039
  211    HA   HIS  25           HA       HIS  25  -2.026  -7.952  -2.682
  212   1HB   HIS  25           HB2      HIS  25  -2.443 -10.891  -2.924
  213   2HB   HIS  25           HB3      HIS  25  -2.912  -9.604  -4.024
  214    HD1  HIS  25           HD1      HIS  25  -0.720 -12.350  -3.897
  215    HD2  HIS  25           HD2      HIS  25  -0.347  -8.437  -5.240
  216    HE1  HIS  25           HE1      HIS  25   1.221 -12.370  -5.494
  217    HE2  HIS  25           HE2      HIS  25   1.333 -10.023  -6.399
  218    H    LEU  26           H        LEU  26  -3.274  -7.288  -1.045
  219    HA   LEU  26           HA       LEU  26  -3.976  -9.199   1.066
  220   1HB   LEU  26           HB2      LEU  26  -4.372  -6.218   0.974
  221   2HB   LEU  26           HB3      LEU  26  -4.682  -7.249   2.355
  222    HG   LEU  26           HG       LEU  26  -1.923  -7.110   1.184
  223   1HD1  LEU  26          2HD1      LEU  26  -3.149  -5.133   3.099
  224   2HD1  LEU  26          1HD1      LEU  26  -1.420  -5.293   2.789
  225   3HD1  LEU  26          3HD1      LEU  26  -2.506  -4.797   1.493
  226   1HD2  LEU  26          3HD2      LEU  26  -2.708  -8.763   2.989
  227   2HD2  LEU  26          2HD2      LEU  26  -1.218  -7.862   3.275
  228   3HD2  LEU  26          1HD2      LEU  26  -2.716  -7.365   4.066
  229    H    LYS  27           H        LYS  27  -6.093  -9.659   1.571
  230    HA   LYS  27           HA       LYS  27  -7.988  -9.108  -0.574
  231   1HB   LYS  27           HB2      LYS  27  -8.374 -10.959   1.773
  232   2HB   LYS  27           HB3      LYS  27  -9.288 -10.926   0.274
  233   1HG   LYS  27           HG2      LYS  27  -7.913 -12.725  -0.071
  234   2HG   LYS  27           HG3      LYS  27  -6.989 -11.431  -0.835
  235   1HD   LYS  27           HD2      LYS  27  -5.492 -12.753   0.496
  236   2HD   LYS  27           HD3      LYS  27  -5.702 -11.191   1.286
  237   1HE   LYS  27           HE2      LYS  27  -7.323 -12.181   2.823
  238   2HE   LYS  27           HE3      LYS  27  -7.133 -13.742   2.025
  239   1HZ   LYS  27           HZ1      LYS  27  -4.990 -12.262   3.456
  240   2HZ   LYS  27           HZ3      LYS  27  -5.819 -13.614   4.046
  241   3HZ   LYS  27           HZ2      LYS  27  -4.812 -13.763   2.695
  242    H    GLY  28           H        GLY  28 -10.293  -8.774   0.095
  243   1HA   GLY  28           HA3      GLY  28 -10.460  -6.388   1.618
  244   2HA   GLY  28           HA2      GLY  28 -11.080  -7.744   2.547
  245    H    ASN  29           H        ASN  29 -12.261  -5.276   1.123
  246    HA   ASN  29           HA       ASN  29 -13.927  -6.144  -0.959
  247   1HB   ASN  29           HB2      ASN  29 -14.844  -7.573   0.900
  248   2HB   ASN  29           HB3      ASN  29 -15.339  -6.093   1.712
  249   1HD2  ASN  29          1HD2      ASN  29 -17.499  -6.776   1.612
  250   2HD2  ASN  29          2HD2      ASN  29 -18.407  -6.675   0.146
  251    HA   PRO  30           HA       PRO  30 -13.710  -1.599  -0.557
  252   1HB   PRO  30           HB2      PRO  30 -14.572  -1.190  -3.146
  253   2HB   PRO  30           HB3      PRO  30 -12.886  -1.404  -2.669
  254   1HG   PRO  30           HG2      PRO  30 -14.807  -3.397  -3.795
  255   2HG   PRO  30           HG3      PRO  30 -13.086  -3.167  -4.160
  256   1HD   PRO  30           HD2      PRO  30 -13.923  -5.145  -2.559
  257   2HD   PRO  30           HD3      PRO  30 -12.403  -4.285  -2.245
  258    H    THR  31           H        THR  31 -16.311  -3.726  -0.956
  259    HA   THR  31           HA       THR  31 -18.288  -1.580  -1.145
  260    HB   THR  31           HB       THR  31 -19.951  -3.372  -1.369
  261    HG1  THR  31           HG1      THR  31 -19.376  -5.485  -1.251
  262   1HG2  THR  31          2HG2      THR  31 -18.861  -2.515  -3.380
  263   2HG2  THR  31          1HG2      THR  31 -17.575  -3.709  -3.200
  264   3HG2  THR  31          3HG2      THR  31 -19.222  -4.234  -3.547
  265    H    THR  32           H        THR  32 -16.546  -2.567   1.287
  266    HA   THR  32           HA       THR  32 -18.750  -2.963   3.186
  267    HB   THR  32           HB       THR  32 -16.981  -3.543   4.831
  268    HG1  THR  32           HG1      THR  32 -14.864  -3.699   4.163
  269   1HG2  THR  32          2HG2      THR  32 -18.085  -5.303   3.548
  270   2HG2  THR  32          1HG2      THR  32 -16.893  -5.125   2.263
  271   3HG2  THR  32          3HG2      THR  32 -16.397  -5.712   3.850
  272    H    GLY  33           H        GLY  33 -15.615  -1.247   3.257
  273   1HA   GLY  33           HA3      GLY  33 -16.619   0.664   5.156
  274   2HA   GLY  33           HA2      GLY  33 -16.460   1.331   3.539
  275    H    TYR  34           H        TYR  34 -14.484  -0.828   5.585
  276    HA   TYR  34           HA       TYR  34 -12.399   1.071   5.886
  277   1HB   TYR  34           HB2      TYR  34 -12.457  -1.913   6.345
  278   2HB   TYR  34           HB3      TYR  34 -11.089  -0.887   6.760
  279    HD1  TYR  34           HD1      TYR  34 -14.607  -1.657   7.546
  280    HD2  TYR  34           HD2      TYR  34 -11.119   0.481   8.728
  281    HE1  TYR  34           HE1      TYR  34 -15.639  -1.190   9.729
  282    HE2  TYR  34           HE2      TYR  34 -12.145   0.952  10.912
  283    HH   TYR  34           HH       TYR  34 -14.391   1.094  11.901
  284    H    MET  35           H        MET  35 -10.090   0.483   5.260
  285    HA   MET  35           HA       MET  35  -9.859  -0.744   2.641
  286   1HB   MET  35           HB2      MET  35 -10.112   1.469   1.937
  287   2HB   MET  35           HB3      MET  35  -9.299   2.113   3.361
  288   1HG   MET  35           HG2      MET  35  -7.185   1.154   2.520
  289   2HG   MET  35           HG3      MET  35  -8.037   0.673   1.067
  290   1HE   MET  35           HE1      MET  35 -10.021   3.042   0.580
  291   2HE   MET  35           HE3      MET  35  -9.099   4.144  -0.442
  292   3HE   MET  35           HE2      MET  35  -9.040   2.408  -0.741
  293    H    TRP  36           H        TRP  36  -7.783  -1.451   2.190
  294    HA   TRP  36           HA       TRP  36  -5.979  -1.534   4.505
  295   1HB   TRP  36           HB2      TRP  36  -6.739  -3.478   2.451
  296   2HB   TRP  36           HB3      TRP  36  -5.011  -3.377   2.735
  297    HD1  TRP  36           HD1      TRP  36  -7.769  -5.371   3.805
  298    HE1  TRP  36           HE1      TRP  36  -7.404  -6.372   6.151
  299    HE3  TRP  36           HE3      TRP  36  -3.916  -2.404   5.356
  300    HZ2  TRP  36           HZ2      TRP  36  -5.706  -5.951   8.364
  301    HZ3  TRP  36           HZ3      TRP  36  -2.976  -2.765   7.595
  302    HH2  TRP  36           HH2      TRP  36  -3.860  -4.501   9.068
  303    H    THR  37           H        THR  37  -5.208   0.601   3.945
  304    HA   THR  37           HA       THR  37  -3.275   0.515   1.715
  305    HB   THR  37           HB       THR  37  -5.249   1.993   1.232
  306    HG1  THR  37           HG1      THR  37  -3.262   3.858   1.335
  307   1HG2  THR  37          2HG2      THR  37  -4.079   3.627   3.490
  308   2HG2  THR  37          1HG2      THR  37  -5.363   4.150   2.400
  309   3HG2  THR  37          3HG2      THR  37  -5.639   2.804   3.505
  310    H    ARG  38           H        ARG  38  -2.019   3.011   2.288
  311    HA   ARG  38           HA       ARG  38  -0.558   2.234   4.678
  312   1HB   ARG  38           HB2      ARG  38   0.010   3.935   2.323
  313   2HB   ARG  38           HB3      ARG  38   0.738   4.441   3.833
  314   1HG   ARG  38           HG2      ARG  38   1.924   2.440   4.065
  315   2HG   ARG  38           HG3      ARG  38   1.014   1.671   2.764
  316   1HD   ARG  38           HD2      ARG  38   3.329   2.465   2.188
  317   2HD   ARG  38           HD3      ARG  38   2.061   2.989   1.119
  318    HE   ARG  38           HE       ARG  38   2.252   5.174   2.072
  319   1HH1  ARG  38          1HH1      ARG  38   4.679   2.902   3.115
  320   2HH1  ARG  38          2HH1      ARG  38   5.829   4.124   3.543
  321   1HH2  ARG  38          1HH2      ARG  38   3.780   6.795   2.615
  322   2HH2  ARG  38          2HH2      ARG  38   5.317   6.333   3.262
  323    H    VAL  39           H        VAL  39  -0.014   3.791   6.347
  324    HA   VAL  39           HA       VAL  39  -2.330   5.215   7.232
  325    HB   VAL  39           HB       VAL  39   0.443   5.203   8.432
  326   1HG1  VAL  39          3HG1      VAL  39  -2.231   5.934   9.618
  327   2HG1  VAL  39          2HG1      VAL  39  -0.711   5.835  10.506
  328   3HG1  VAL  39          1HG1      VAL  39  -0.915   7.045   9.239
  329   1HG2  VAL  39          3HG2      VAL  39  -0.781   2.958   8.116
  330   2HG2  VAL  39          2HG2      VAL  39  -0.128   3.345   9.709
  331   3HG2  VAL  39          1HG2      VAL  39  -1.855   3.536   9.389
  332    H    GLY  40           H        GLY  40  -2.809   7.314   7.054
  333   1HA   GLY  40           HA3      GLY  40  -0.743   9.309   6.689
  334   2HA   GLY  40           HA2      GLY  40  -2.468   9.607   6.849
  335    H    PHE  41           H        PHE  41  -2.591   7.366   4.635
  336    HA   PHE  41           HA       PHE  41  -2.397   9.282   2.419
  337   1HB   PHE  41           HB2      PHE  41  -1.480   6.404   2.275
  338   2HB   PHE  41           HB3      PHE  41  -1.411   7.592   0.977
  339    HD1  PHE  41           HD1      PHE  41   0.025   9.672   1.364
  340    HD2  PHE  41           HD2      PHE  41   0.274   6.165   3.752
  341    HE1  PHE  41           HE1      PHE  41   2.250  10.373   2.147
  342    HE2  PHE  41           HE2      PHE  41   2.501   6.856   4.544
  343    HZ   PHE  41           HZ       PHE  41   3.491   8.964   3.741
  344    H    VAL  42           H        VAL  42  -4.251   7.279   4.196
  345    HA   VAL  42           HA       VAL  42  -5.820   5.819   2.450
  346    HB   VAL  42           HB       VAL  42  -6.891   7.289   4.857
  347   1HG1  VAL  42          3HG1      VAL  42  -8.512   6.149   3.345
  348   2HG1  VAL  42          2HG1      VAL  42  -7.687   4.630   3.691
  349   3HG1  VAL  42          1HG1      VAL  42  -8.487   5.514   4.990
  350   1HG2  VAL  42          1HG2      VAL  42  -4.703   5.979   5.176
  351   2HG2  VAL  42          3HG2      VAL  42  -6.042   5.656   6.273
  352   3HG2  VAL  42          2HG2      VAL  42  -5.703   4.544   4.948
  353    H    GLY  43           H        GLY  43  -6.936   6.424   0.727
  354   1HA   GLY  43           HA3      GLY  43  -8.474   8.924   0.830
  355   2HA   GLY  43           HA2      GLY  43  -8.751   7.590  -0.281
  356    H    LYS  44           H        LYS  44  -5.560   8.836   0.348
  357    HA   LYS  44           HA       LYS  44  -5.449  10.685  -1.793
  358   1HB   LYS  44           HB2      LYS  44  -3.244   9.235  -0.318
  359   2HB   LYS  44           HB3      LYS  44  -2.998  10.581  -1.416
  360   1HG   LYS  44           HG2      LYS  44  -4.429  11.972   0.079
  361   2HG   LYS  44           HG3      LYS  44  -4.449  10.622   1.218
  362   1HD   LYS  44           HD2      LYS  44  -2.008  10.716   1.370
  363   2HD   LYS  44           HD3      LYS  44  -1.989  12.067   0.236
  364   1HE   LYS  44           HE2      LYS  44  -3.310  13.401   1.808
  365   2HE   LYS  44           HE3      LYS  44  -3.318  12.052   2.942
  366   1HZ   LYS  44           HZ2      LYS  44  -0.902  13.496   1.996
  367   2HZ   LYS  44           HZ1      LYS  44  -1.628  13.677   3.513
  368   3HZ   LYS  44           HZ3      LYS  44  -0.912  12.204   3.088
  369    H    ASP  45           H        ASP  45  -3.676  10.380  -3.533
  370    HA   ASP  45           HA       ASP  45  -4.432   8.116  -5.116
  371   1HB   ASP  45           HB2      ASP  45  -2.574  10.449  -5.539
  372   2HB   ASP  45           HB3      ASP  45  -2.734   9.158  -6.718
  373    H    VAL  46           H        VAL  46  -1.256   9.360  -4.105
  374    HA   VAL  46           HA       VAL  46  -0.202   6.618  -4.235
  375    HB   VAL  46           HB       VAL  46   0.905   8.355  -5.638
  376   1HG1  VAL  46          3HG1      VAL  46   1.686   9.519  -2.971
  377   2HG1  VAL  46          2HG1      VAL  46   2.351  10.005  -4.531
  378   3HG1  VAL  46          1HG1      VAL  46   0.644  10.269  -4.180
  379   1HG2  VAL  46          3HG2      VAL  46   2.601   7.146  -3.456
  380   2HG2  VAL  46          2HG2      VAL  46   2.114   6.356  -4.956
  381   3HG2  VAL  46          1HG2      VAL  46   3.197   7.747  -5.003
  382    H    LEU  47           H        LEU  47   0.860   5.709  -2.541
  383    HA   LEU  47           HA       LEU  47   0.409   6.947   0.063
  384   1HB   LEU  47           HB2      LEU  47   1.543   4.213  -0.330
  385   2HB   LEU  47           HB3      LEU  47   0.566   4.821   0.990
  386    HG   LEU  47           HG       LEU  47  -0.448   4.258  -1.798
  387   1HD1  LEU  47          2HD1      LEU  47  -0.715   2.689   0.760
  388   2HD1  LEU  47          1HD1      LEU  47  -1.631   2.373  -0.714
  389   3HD1  LEU  47          3HD1      LEU  47   0.124   2.192  -0.710
  390   1HD2  LEU  47          1HD2      LEU  47  -1.893   5.043   0.725
  391   2HD2  LEU  47          3HD2      LEU  47  -1.710   6.021  -0.732
  392   3HD2  LEU  47          2HD2      LEU  47  -2.668   4.540  -0.778
  393    H    SER  48           H        SER  48   2.985   5.305  -1.718
  394    HA   SER  48           HA       SER  48   5.130   5.717  -0.064
  395   1HB   SER  48           HB2      SER  48   6.501   5.353  -1.986
  396   2HB   SER  48           HB3      SER  48   5.038   4.405  -2.219
  397    HG   SER  48           HG       SER  48   5.967   6.604  -3.611
  398    H    ASP  49           H        ASP  49   7.104   7.158  -0.918
  399    HA   ASP  49           HA       ASP  49   6.335   9.822  -1.720
  400   1HB   ASP  49           HB2      ASP  49   7.256   9.242   1.089
  401   2HB   ASP  49           HB3      ASP  49   7.449  10.829   0.350
  402    H    GLU  50           H        GLU  50   9.069   9.186   0.351
  403    HA   GLU  50           HA       GLU  50  10.859   9.219  -1.980
  404   1HB   GLU  50           HB2      GLU  50  12.343  10.734  -0.804
  405   2HB   GLU  50           HB3      GLU  50  10.734  11.440  -0.915
  406   1HG   GLU  50           HG2      GLU  50  10.272  10.804   1.380
  407   2HG   GLU  50           HG3      GLU  50  11.866  10.061   1.506
  408    H    ILE  51           H        ILE  51  10.191   8.146   1.259
  409    HA   ILE  51           HA       ILE  51  12.703   6.829   1.672
  410    HB   ILE  51           HB       ILE  51  10.108   6.309   3.118
  411   1HG1  ILE  51          2HG1      ILE  51  10.669   8.738   3.035
  412   2HG1  ILE  51          3HG1      ILE  51  10.685   8.061   4.657
  413   1HG2  ILE  51          3HG2      ILE  51  12.995   5.941   3.895
  414   2HG2  ILE  51          2HG2      ILE  51  11.630   5.749   4.995
  415   3HG2  ILE  51          1HG2      ILE  51  11.800   4.678   3.604
  416   1HD1  ILE  51          2HD1      ILE  51  13.119   8.566   2.962
  417   2HD1  ILE  51          1HD1      ILE  51  12.543   9.606   4.265
  418   3HD1  ILE  51          3HD1      ILE  51  13.105   7.972   4.622
  419    H    LEU  52           H        LEU  52   9.479   5.361   1.736
  420    HA   LEU  52           HA       LEU  52  10.594   3.003   0.386
  421   1HB   LEU  52           HB2      LEU  52   8.378   3.444   2.321
  422   2HB   LEU  52           HB3      LEU  52   8.218   2.119   1.185
  423    HG   LEU  52           HG       LEU  52  10.621   2.438   2.966
  424   1HD1  LEU  52          2HD1      LEU  52   8.099   0.874   3.484
  425   2HD1  LEU  52          1HD1      LEU  52   9.581   0.769   4.435
  426   3HD1  LEU  52          3HD1      LEU  52   8.666   2.276   4.389
  427   1HD2  LEU  52          1HD2      LEU  52  10.725   0.996   0.905
  428   2HD2  LEU  52          3HD2      LEU  52  11.074   0.177   2.427
  429   3HD2  LEU  52          2HD2      LEU  52   9.501  -0.026   1.656
  430    H    GLU  53           H        GLU  53  10.242   2.895  -1.745
  431    HA   GLU  53           HA       GLU  53   8.186   4.345  -3.069
  432   1HB   GLU  53           HB2      GLU  53  10.388   2.572  -3.812
  433   2HB   GLU  53           HB3      GLU  53   8.973   2.367  -4.835
  434   1HG   GLU  53           HG2      GLU  53   9.726   5.143  -4.330
  435   2HG   GLU  53           HG3      GLU  53  10.924   4.200  -5.213
  436    H    VAL  54           H        VAL  54   6.511   3.461  -1.553
  437    HA   VAL  54           HA       VAL  54   5.651   0.760  -1.877
  438    HB   VAL  54           HB       VAL  54   4.004   3.005  -0.742
  439   1HG1  VAL  54          2HG1      VAL  54   2.845   0.902  -1.150
  440   2HG1  VAL  54          1HG1      VAL  54   4.063   0.038  -0.211
  441   3HG1  VAL  54          3HG1      VAL  54   3.005   1.206   0.578
  442   1HG2  VAL  54          1HG2      VAL  54   6.279   1.490   0.488
  443   2HG2  VAL  54          3HG2      VAL  54   5.983   3.228   0.474
  444   3HG2  VAL  54          2HG2      VAL  54   4.988   2.170   1.474
  445    H    VAL  55           H        VAL  55   5.300   0.510  -4.107
  446    HA   VAL  55           HA       VAL  55   3.256   2.117  -5.388
  447    HB   VAL  55           HB       VAL  55   4.631  -0.349  -6.449
  448   1HG1  VAL  55          3HG1      VAL  55   2.508   0.289  -7.541
  449   2HG1  VAL  55          2HG1      VAL  55   3.196   1.874  -7.893
  450   3HG1  VAL  55          1HG1      VAL  55   3.899   0.428  -8.619
  451   1HG2  VAL  55          2HG2      VAL  55   6.284   1.367  -5.903
  452   2HG2  VAL  55          1HG2      VAL  55   6.122   1.186  -7.651
  453   3HG2  VAL  55          3HG2      VAL  55   5.368   2.554  -6.831
  454    H    CYS  56           H        CYS  56   1.440   1.667  -4.223
  455    HA   CYS  56           HA       CYS  56   0.581  -1.105  -3.944
  456   1HB   CYS  56           HB2      CYS  56   0.444   0.293  -1.953
  457   2HB   CYS  56           HB3      CYS  56  -0.587   1.437  -2.805
  458    HG   CYS  56           HG       CYS  56  -2.368  -1.014  -3.248
  459    H    LYS  57           H        LYS  57  -1.290  -1.922  -4.766
  460    HA   LYS  57           HA       LYS  57  -2.809  -0.232  -6.623
  461   1HB   LYS  57           HB2      LYS  57  -2.204  -3.117  -7.168
  462   2HB   LYS  57           HB3      LYS  57  -2.855  -1.919  -8.270
  463   1HG   LYS  57           HG2      LYS  57  -0.710  -0.743  -8.264
  464   2HG   LYS  57           HG3      LYS  57  -0.052  -1.965  -7.173
  465   1HD   LYS  57           HD2      LYS  57  -0.435  -3.688  -8.863
  466   2HD   LYS  57           HD3      LYS  57  -1.109  -2.474  -9.953
  467   1HE   LYS  57           HE2      LYS  57   1.039  -1.297  -9.963
  468   2HE   LYS  57           HE3      LYS  57   1.710  -2.518  -8.883
  469   1HZ   LYS  57           HZ2      LYS  57   1.330  -4.185 -10.592
  470   2HZ   LYS  57           HZ1      LYS  57   0.690  -3.012 -11.629
  471   3HZ   LYS  57           HZ3      LYS  57   2.319  -2.944 -11.177
  472    H    TYR  58           H        TYR  58  -4.469  -0.004  -5.230
  473    HA   TYR  58           HA       TYR  58  -5.634  -1.951  -3.625
  474   1HB   TYR  58           HB2      TYR  58  -5.984   0.479  -3.359
  475   2HB   TYR  58           HB3      TYR  58  -6.908   0.504  -4.857
  476    HD1  TYR  58           HD1      TYR  58  -7.172   0.550  -1.395
  477    HD2  TYR  58           HD2      TYR  58  -8.917  -1.283  -4.835
  478    HE1  TYR  58           HE1      TYR  58  -9.267   0.160  -0.145
  479    HE2  TYR  58           HE2      TYR  58 -10.993  -1.697  -3.589
  480    HH   TYR  58           HH       TYR  58 -11.655  -0.208  -0.605
  481    H    THR  59           H        THR  59  -5.688  -1.549  -6.898
  482    HA   THR  59           HA       THR  59  -7.052  -2.212  -8.646
  483    HB   THR  59           HB       THR  59  -6.574  -4.812  -7.180
  484    HG1  THR  59           HG1      THR  59  -4.626  -4.819  -8.464
  485   1HG2  THR  59          2HG2      THR  59  -6.950  -4.211 -10.116
  486   2HG2  THR  59          1HG2      THR  59  -6.556  -5.789  -9.435
  487   3HG2  THR  59          3HG2      THR  59  -8.106  -5.033  -9.068
  488    HA   PRO  60           HA       PRO  60 -11.115  -2.777  -6.651
  489   1HB   PRO  60           HB2      PRO  60 -12.047  -0.313  -6.862
  490   2HB   PRO  60           HB3      PRO  60 -10.786  -0.675  -5.679
  491   1HG   PRO  60           HG2      PRO  60 -10.592   0.749  -8.282
  492   2HG   PRO  60           HG3      PRO  60  -9.621   0.954  -6.816
  493   1HD   PRO  60           HD2      PRO  60  -9.005  -0.606  -9.147
  494   2HD   PRO  60           HD3      PRO  60  -8.036  -0.398  -7.673
  495    H    THR  61           H        THR  61 -10.051  -2.426  -9.708
  496    HA   THR  61           HA       THR  61 -12.227  -1.502 -11.193
  497    HB   THR  61           HB       THR  61 -10.667  -3.727 -12.376
  498    HG1  THR  61           HG1      THR  61  -9.001  -2.809 -11.234
  499   1HG2  THR  61          3HG2      THR  61 -11.317  -0.911 -13.247
  500   2HG2  THR  61          2HG2      THR  61 -10.467  -2.107 -14.227
  501   3HG2  THR  61          1HG2      THR  61 -12.144  -2.383 -13.755
  502    HA   PRO  62           HA       PRO  62 -15.109  -4.851 -10.638
  503   1HB   PRO  62           HB2      PRO  62 -16.966  -4.118 -12.431
  504   2HB   PRO  62           HB3      PRO  62 -16.700  -3.201 -10.943
  505   1HG   PRO  62           HG2      PRO  62 -15.735  -2.632 -13.720
  506   2HG   PRO  62           HG3      PRO  62 -16.409  -1.515 -12.520
  507   1HD   PRO  62           HD2      PRO  62 -13.726  -1.807 -12.995
  508   2HD   PRO  62           HD3      PRO  62 -14.401  -1.272 -11.444
  509    H    SER  63           H        SER  63 -14.792  -6.865 -11.347
  510    HA   SER  63           HA       SER  63 -13.791  -7.404 -13.981
  511   1HB   SER  63           HB2      SER  63 -14.557  -9.164 -11.650
  512   2HB   SER  63           HB3      SER  63 -13.962  -9.799 -13.177
  513    HG   SER  63           HG       SER  63 -12.486  -7.792 -11.920
  514    H    SER  64           H        SER  64 -14.832  -8.419 -15.661
  515    HA   SER  64           HA       SER  64 -17.762  -8.582 -15.427
  516   1HB   SER  64           HB2      SER  64 -16.050  -8.152 -17.888
  517   2HB   SER  64           HB3      SER  64 -17.810  -8.256 -17.877
  518    HG   SER  64           HG       SER  64 -17.832  -6.402 -16.538
  519    H    THR  65           H        THR  65 -14.894 -10.217 -16.674
  520    HA   THR  65           HA       THR  65 -16.208 -12.769 -16.401
  521    HB   THR  65           HB       THR  65 -15.141 -12.001 -19.122
  522    HG1  THR  65           HG1      THR  65 -17.144 -10.976 -18.723
  523   1HG2  THR  65          1HG2      THR  65 -16.606 -14.463 -18.158
  524   2HG2  THR  65          3HG2      THR  65 -16.134 -14.135 -19.825
  525   3HG2  THR  65          2HG2      THR  65 -14.898 -14.374 -18.589
  526    HA   PRO  66           HA       PRO  66 -11.560 -13.405 -16.933
  527   1HB   PRO  66           HB2      PRO  66 -10.145 -11.643 -18.464
  528   2HB   PRO  66           HB3      PRO  66 -11.123 -12.944 -19.138
  529   1HG   PRO  66           HG2      PRO  66 -11.562 -10.100 -19.293
  530   2HG   PRO  66           HG3      PRO  66 -12.478 -11.394 -20.073
  531   1HD   PRO  66           HD2      PRO  66 -13.044  -9.920 -17.575
  532   2HD   PRO  66           HD3      PRO  66 -14.159 -10.791 -18.649
  533    H    MET  67           H        MET  67  -9.267 -11.655 -17.057
  534    HA   MET  67           HA       MET  67  -7.900 -10.485 -15.671
  535   1HB   MET  67           HB2      MET  67 -10.469  -9.068 -14.940
  536   2HB   MET  67           HB3      MET  67  -8.852  -8.501 -14.550
  537   1HG   MET  67           HG2      MET  67  -8.344  -8.313 -16.933
  538   2HG   MET  67           HG3      MET  67  -9.970  -8.873 -17.319
  539   1HE   MET  67           HE3      MET  67  -8.711  -6.170 -18.463
  540   2HE   MET  67           HE2      MET  67 -10.337  -6.730 -18.855
  541   3HE   MET  67           HE1      MET  67 -10.084  -5.076 -18.297
  542    H    VAL  68           H        VAL  68  -7.188 -11.995 -14.246
  543    HA   VAL  68           HA       VAL  68  -8.827 -12.709 -11.950
  544    HB   VAL  68           HB       VAL  68  -7.655 -14.521 -13.058
  545   1HG1  VAL  68          3HG1      VAL  68  -5.125 -13.030 -12.369
  546   2HG1  VAL  68          2HG1      VAL  68  -5.205 -14.652 -13.057
  547   3HG1  VAL  68          1HG1      VAL  68  -5.787 -13.270 -13.985
  548   1HG2  VAL  68          2HG2      VAL  68  -8.006 -14.701 -10.651
  549   2HG2  VAL  68          1HG2      VAL  68  -6.508 -15.500 -11.132
  550   3HG2  VAL  68          3HG2      VAL  68  -6.453 -13.917 -10.358
  551    H    GLY  69           H        GLY  69  -8.484 -12.049  -9.903
  552   1HA   GLY  69           HA3      GLY  69  -5.988 -10.831  -9.101
  553   2HA   GLY  69           HA2      GLY  69  -7.398 -11.096  -8.085
  554    H    VAL  70           H        VAL  70  -9.300  -9.752  -9.692
  555    HA   VAL  70           HA       VAL  70  -8.510  -6.994  -9.126
  556    HB   VAL  70           HB       VAL  70  -9.777  -7.845 -11.736
  557   1HG1  VAL  70          1HG1      VAL  70  -9.118  -5.116 -10.635
  558   2HG1  VAL  70          3HG1      VAL  70  -9.504  -5.432 -12.327
  559   3HG1  VAL  70          2HG1      VAL  70 -10.704  -5.745 -11.075
  560   1HG2  VAL  70          3HG2      VAL  70  -7.393  -8.334 -11.669
  561   2HG2  VAL  70          2HG2      VAL  70  -7.723  -6.993 -12.766
  562   3HG2  VAL  70          1HG2      VAL  70  -7.055  -6.679 -11.165
  563    H    GLY  71           H        GLY  71  -9.882  -7.342  -7.288
  564   1HA   GLY  71           HA3      GLY  71 -12.327  -8.165  -6.888
  565   2HA   GLY  71           HA2      GLY  71 -12.684  -6.794  -7.925
  566    H    GLY  72           H        GLY  72 -10.130  -5.619  -6.554
  567   1HA   GLY  72           HA3      GLY  72 -11.609  -4.445  -4.332
  568   2HA   GLY  72           HA2      GLY  72 -10.247  -3.711  -5.142
  569    H    ILE  73           H        ILE  73  -8.176  -5.021  -4.948
  570    HA   ILE  73           HA       ILE  73  -8.030  -6.104  -2.216
  571    HB   ILE  73           HB       ILE  73  -5.967  -7.295  -2.886
  572   1HG1  ILE  73          2HG1      ILE  73  -6.768  -7.009  -5.747
  573   2HG1  ILE  73          3HG1      ILE  73  -5.703  -5.817  -5.000
  574   1HG2  ILE  73          3HG2      ILE  73  -8.220  -8.346  -2.764
  575   2HG2  ILE  73          2HG2      ILE  73  -8.285  -8.218  -4.524
  576   3HG2  ILE  73          1HG2      ILE  73  -7.019  -9.181  -3.752
  577   1HD1  ILE  73          3HD1      ILE  73  -4.160  -7.619  -4.367
  578   2HD1  ILE  73          2HD1      ILE  73  -5.215  -8.782  -5.176
  579   3HD1  ILE  73          1HD1      ILE  73  -4.406  -7.526  -6.115
  580    H    TYR  74           H        TYR  74  -5.074  -6.101  -2.363
  581    HA   TYR  74           HA       TYR  74  -4.430  -3.286  -2.572
  582   1HB   TYR  74           HB2      TYR  74  -3.874  -4.638   0.051
  583   2HB   TYR  74           HB3      TYR  74  -3.965  -2.916  -0.311
  584    HD1  TYR  74           HD1      TYR  74  -6.094  -1.764  -0.340
  585    HD2  TYR  74           HD2      TYR  74  -5.934  -5.957   0.356
  586    HE1  TYR  74           HE1      TYR  74  -8.441  -1.741   0.389
  587    HE2  TYR  74           HE2      TYR  74  -8.277  -5.937   1.084
  588    HH   TYR  74           HH       TYR  74 -10.334  -3.296   0.569
  589    H    VAL  75           H        VAL  75  -3.062  -4.152  -4.241
  590    HA   VAL  75           HA       VAL  75  -0.936  -5.978  -3.547
  591    HB   VAL  75           HB       VAL  75  -1.353  -4.321  -6.044
  592   1HG1  VAL  75          3HG1      VAL  75   0.641  -6.513  -5.476
  593   2HG1  VAL  75          2HG1      VAL  75   0.342  -5.798  -7.060
  594   3HG1  VAL  75          1HG1      VAL  75   1.002  -4.810  -5.756
  595   1HG2  VAL  75          3HG2      VAL  75  -1.904  -7.215  -5.424
  596   2HG2  VAL  75          2HG2      VAL  75  -3.078  -5.962  -5.827
  597   3HG2  VAL  75          1HG2      VAL  75  -1.935  -6.523  -7.046
  598    H    VAL  76           H        VAL  76   0.245  -5.005  -1.931
  599    HA   VAL  76           HA       VAL  76   1.288  -2.326  -2.347
  600    HB   VAL  76           HB       VAL  76   1.741  -4.198  -0.024
  601   1HG1  VAL  76          2HG1      VAL  76   2.246  -1.252  -0.404
  602   2HG1  VAL  76          1HG1      VAL  76   2.285  -2.065   1.160
  603   3HG1  VAL  76          3HG1      VAL  76   3.437  -2.515  -0.097
  604   1HG2  VAL  76          2HG2      VAL  76  -0.634  -3.706  -0.310
  605   2HG2  VAL  76          1HG2      VAL  76   0.008  -2.907   1.125
  606   3HG2  VAL  76          3HG2      VAL  76  -0.280  -1.979  -0.347
  607    H    LEU  77           H        LEU  77   3.117  -1.987  -3.392
  608    HA   LEU  77           HA       LEU  77   5.220  -4.045  -3.319
  609   1HB   LEU  77           HB2      LEU  77   4.662  -1.873  -5.337
  610   2HB   LEU  77           HB3      LEU  77   6.132  -2.827  -5.332
  611    HG   LEU  77           HG       LEU  77   3.328  -3.898  -5.709
  612   1HD1  LEU  77          2HD1      LEU  77   5.596  -3.564  -7.666
  613   2HD1  LEU  77          1HD1      LEU  77   4.050  -4.343  -8.002
  614   3HD1  LEU  77          3HD1      LEU  77   4.107  -2.621  -7.630
  615   1HD2  LEU  77          3HD2      LEU  77   5.117  -5.351  -4.550
  616   2HD2  LEU  77          2HD2      LEU  77   4.224  -6.029  -5.915
  617   3HD2  LEU  77          1HD2      LEU  77   5.864  -5.423  -6.147
  618    H    VAL  78           H        VAL  78   6.317  -3.466  -1.498
  619    HA   VAL  78           HA       VAL  78   7.007  -0.659  -1.118
  620    HB   VAL  78           HB       VAL  78   8.202  -2.398   0.839
  621   1HG1  VAL  78          1HG1      VAL  78   7.728  -0.015   1.154
  622   2HG1  VAL  78          3HG1      VAL  78   5.995  -0.332   1.018
  623   3HG1  VAL  78          2HG1      VAL  78   6.913  -0.988   2.377
  624   1HG2  VAL  78          3HG2      VAL  78   6.417  -3.954   0.215
  625   2HG2  VAL  78          2HG2      VAL  78   6.182  -3.313   1.839
  626   3HG2  VAL  78          1HG2      VAL  78   5.222  -2.689   0.498
  627    H    LYS  79           H        LYS  79   8.634   0.001  -2.337
  628    HA   LYS  79           HA       LYS  79  11.041  -1.683  -2.540
  629   1HB   LYS  79           HB2      LYS  79   9.758   0.285  -4.380
  630   2HB   LYS  79           HB3      LYS  79  11.505   0.094  -4.446
  631   1HG   LYS  79           HG2      LYS  79  11.182  -2.331  -4.817
  632   2HG   LYS  79           HG3      LYS  79   9.431  -2.051  -4.883
  633   1HD   LYS  79           HD2      LYS  79  11.460  -0.749  -6.703
  634   2HD   LYS  79           HD3      LYS  79  10.499  -2.168  -7.121
  635   1HE   LYS  79           HE2      LYS  79   9.420   0.560  -6.416
  636   2HE   LYS  79           HE3      LYS  79   9.516  -0.129  -8.037
  637   1HZ   LYS  79           HZ2      LYS  79   8.001  -1.879  -7.343
  638   2HZ   LYS  79           HZ1      LYS  79   7.908  -1.217  -5.790
  639   3HZ   LYS  79           HZ3      LYS  79   7.300  -0.357  -7.114
  640    HA   PRO  80           HA       PRO  80  12.422   1.475   0.503
  641   1HB   PRO  80           HB2      PRO  80  14.920   0.158   0.604
  642   2HB   PRO  80           HB3      PRO  80  13.607   0.053   1.776
  643   1HG   PRO  80           HG2      PRO  80  14.341  -1.802  -0.415
  644   2HG   PRO  80           HG3      PRO  80  13.556  -2.145   1.136
  645   1HD   PRO  80           HD2      PRO  80  12.198  -2.166  -1.187
  646   2HD   PRO  80           HD3      PRO  80  11.455  -1.623   0.333
  647    H    ARG  81           H        ARG  81  12.627   3.226  -0.799
  648    HA   ARG  81           HA       ARG  81  14.359   3.458  -3.004
  649   1HB   ARG  81           HB2      ARG  81  12.499   5.113  -1.581
  650   2HB   ARG  81           HB3      ARG  81  13.972   6.024  -1.873
  651   1HG   ARG  81           HG2      ARG  81  13.792   5.685  -4.229
  652   2HG   ARG  81           HG3      ARG  81  12.461   4.546  -4.011
  653   1HD   ARG  81           HD2      ARG  81  11.053   6.313  -3.132
  654   2HD   ARG  81           HD3      ARG  81  12.387   7.464  -3.250
  655    HE   ARG  81           HE       ARG  81  11.728   6.219  -5.752
  656   1HH1  ARG  81          1HH1      ARG  81  10.959   8.826  -3.572
  657   2HH1  ARG  81          2HH1      ARG  81  10.280   9.831  -4.809
  658   1HH2  ARG  81          1HH2      ARG  81  10.836   7.535  -7.386
  659   2HH2  ARG  81          2HH2      ARG  81  10.209   9.096  -6.976
  660    H    LYS  82           H        LYS  82  14.786   4.005   0.420
  661    HA   LYS  82           HA       LYS  82  17.604   4.708  -0.081
  662   1HB   LYS  82           HB2      LYS  82  15.978   5.548   2.323
  663   2HB   LYS  82           HB3      LYS  82  17.587   6.099   1.878
  664   1HG   LYS  82           HG2      LYS  82  16.675   7.211  -0.090
  665   2HG   LYS  82           HG3      LYS  82  15.058   6.644   0.337
  666   1HD   LYS  82           HD2      LYS  82  15.228   7.884   2.469
  667   2HD   LYS  82           HD3      LYS  82  16.793   8.514   1.948
  668   1HE   LYS  82           HE2      LYS  82  14.164   8.938   0.529
  669   2HE   LYS  82           HE3      LYS  82  14.983  10.120   1.549
  670   1HZ   LYS  82           HZ1      LYS  82  16.845  10.105   0.007
  671   2HZ   LYS  82           HZ3      LYS  82  16.054   8.975  -0.973
  672   3HZ   LYS  82           HZ2      LYS  82  15.414  10.529  -0.787
  673    H    ARG  83           H        ARG  83  18.745   4.405   2.297
  674    HA   ARG  83           HA       ARG  83  18.024   1.707   3.222
  675   1HB   ARG  83           HB2      ARG  83  20.800   2.724   2.596
  676   2HB   ARG  83           HB3      ARG  83  20.456   1.202   3.405
  677   1HG   ARG  83           HG2      ARG  83  19.217   0.451   1.415
  678   2HG   ARG  83           HG3      ARG  83  19.651   1.957   0.605
  679   1HD   ARG  83           HD2      ARG  83  21.587  -0.106   1.646
  680   2HD   ARG  83           HD3      ARG  83  21.133   0.118  -0.042
  681    HE   ARG  83           HE       ARG  83  22.093   2.554   0.938
  682   1HH1  ARG  83          1HH1      ARG  83  23.253  -0.652   0.221
  683   2HH1  ARG  83          2HH1      ARG  83  24.864  -0.129  -0.139
  684   1HH2  ARG  83          1HH2      ARG  83  24.210   3.252   0.467
  685   2HH2  ARG  83          2HH2      ARG  83  25.409   2.091   0.001
  686    H    GLY  84           H        GLY  84  17.554   1.749   5.305
  687   1HA   GLY  84           HA3      GLY  84  18.287   3.965   6.978
  688   2HA   GLY  84           HA2      GLY  84  19.176   2.501   7.374
  689    H    HIS  85           H        HIS  85  16.325   4.242   7.848
  690    HA   HIS  85           HA       HIS  85  15.075   1.909   9.141
  691   1HB   HIS  85           HB2      HIS  85  14.955   4.809   9.986
  692   2HB   HIS  85           HB3      HIS  85  14.104   3.484  10.772
  693    HD1  HIS  85           HD1      HIS  85  17.346   5.213  10.661
  694    HD2  HIS  85           HD2      HIS  85  15.838   1.633  12.138
  695    HE1  HIS  85           HE1      HIS  85  19.082   4.365  12.271
  696    HE2  HIS  85           HE2      HIS  85  18.186   2.157  13.087
  697    H    HIS  86           H        HIS  86  13.762   1.342   7.439
  698    HA   HIS  86           HA       HIS  86  11.747   3.327   6.613
  699   1HB   HIS  86           HB2      HIS  86  12.639   0.818   5.173
  700   2HB   HIS  86           HB3      HIS  86  11.423   1.952   4.600
  701    HD1  HIS  86           HD1      HIS  86  14.487   3.389   6.121
  702    HD2  HIS  86           HD2      HIS  86  13.044   2.458   2.340
  703    HE1  HIS  86           HE1      HIS  86  16.021   4.560   4.511
  704    HE2  HIS  86           HE2      HIS  86  15.062   4.068   2.234
  705    H    THR  87           H        THR  87   9.551   2.532   6.289
  706    HA   THR  87           HA       THR  87   8.824  -0.026   7.389
  707    HB   THR  87           HB       THR  87   7.924   2.458   8.857
  708    HG1  THR  87           HG1      THR  87   9.455   0.375   9.992
  709   1HG2  THR  87          2HG2      THR  87   6.259   0.633   8.737
  710   2HG2  THR  87          1HG2      THR  87   7.440  -0.461   9.455
  711   3HG2  THR  87          3HG2      THR  87   6.840   0.917  10.378
  712    H    LEU  88           H        LEU  88   6.731  -0.645   6.898
  713    HA   LEU  88           HA       LEU  88   5.256   1.190   5.127
  714   1HB   LEU  88           HB2      LEU  88   6.003  -0.680   3.872
  715   2HB   LEU  88           HB3      LEU  88   5.524  -1.804   5.123
  716    HG   LEU  88           HG       LEU  88   3.114  -0.998   4.633
  717   1HD1  LEU  88          3HD1      LEU  88   3.743   0.931   3.277
  718   2HD1  LEU  88          2HD1      LEU  88   4.495  -0.141   2.097
  719   3HD1  LEU  88          1HD1      LEU  88   2.753  -0.205   2.362
  720   1HD2  LEU  88          3HD2      LEU  88   4.652  -2.641   2.632
  721   2HD2  LEU  88          2HD2      LEU  88   3.917  -3.228   4.122
  722   3HD2  LEU  88          1HD2      LEU  88   2.900  -2.626   2.814
  723    H    GLU  89           H        GLU  89   3.973   2.131   6.694
  724    HA   GLU  89           HA       GLU  89   2.514   0.561   8.587
  725   1HB   GLU  89           HB2      GLU  89   2.397   3.472   7.819
  726   2HB   GLU  89           HB3      GLU  89   1.405   2.759   9.084
  727   1HG   GLU  89           HG2      GLU  89   3.349   2.139  10.324
  728   2HG   GLU  89           HG3      GLU  89   4.406   2.727   9.044
  729    H    LEU  90           H        LEU  90   1.151  -0.854   7.520
  730    HA   LEU  90           HA       LEU  90  -0.887   0.354   5.783
  731   1HB   LEU  90           HB2      LEU  90  -0.087  -2.522   6.206
  732   2HB   LEU  90           HB3      LEU  90  -1.504  -2.049   5.295
  733    HG   LEU  90           HG       LEU  90   1.352  -1.349   4.607
  734   1HD1  LEU  90          3HD1      LEU  90  -0.610  -3.277   3.379
  735   2HD1  LEU  90          2HD1      LEU  90   0.927  -2.810   2.654
  736   3HD1  LEU  90          1HD1      LEU  90   0.904  -3.672   4.190
  737   1HD2  LEU  90          1HD2      LEU  90  -1.227  -0.728   3.171
  738   2HD2  LEU  90          3HD2      LEU  90  -0.145   0.436   3.937
  739   3HD2  LEU  90          2HD2      LEU  90   0.392  -0.466   2.521
  740    H    VAL  91           H        VAL  91  -2.995   0.436   6.375
  741    HA   VAL  91           HA       VAL  91  -3.788  -0.911   8.856
  742    HB   VAL  91           HB       VAL  91  -3.066   1.326   9.500
  743   1HG1  VAL  91          3HG1      VAL  91  -5.074   2.267   7.454
  744   2HG1  VAL  91          2HG1      VAL  91  -4.316   3.309   8.660
  745   3HG1  VAL  91          1HG1      VAL  91  -3.325   2.515   7.435
  746   1HG2  VAL  91          2HG2      VAL  91  -6.058   0.966   9.577
  747   2HG2  VAL  91          1HG2      VAL  91  -4.886   0.383  10.761
  748   3HG2  VAL  91          3HG2      VAL  91  -5.154   2.116  10.564
  749    H    TYR  92           H        TYR  92  -6.044  -1.147   9.146
  750    HA   TYR  92           HA       TYR  92  -7.595  -1.086   6.662
  751   1HB   TYR  92           HB2      TYR  92  -7.316  -3.162   8.218
  752   2HB   TYR  92           HB3      TYR  92  -8.501  -2.352   9.235
  753    HD1  TYR  92           HD1      TYR  92 -10.376  -3.731   9.066
  754    HD2  TYR  92           HD2      TYR  92  -8.387  -2.489   5.516
  755    HE1  TYR  92           HE1      TYR  92 -12.189  -4.702   7.717
  756    HE2  TYR  92           HE2      TYR  92 -10.196  -3.453   4.157
  757    HH   TYR  92           HH       TYR  92 -13.163  -4.435   5.475
  758    H    THR  93           H        THR  93  -8.281   1.041   6.530
  759    HA   THR  93           HA       THR  93  -9.990   2.003   8.740
  760    HB   THR  93           HB       THR  93  -7.891   3.223   8.780
  761    HG1  THR  93           HG1      THR  93  -9.481   5.148   7.588
  762   1HG2  THR  93          3HG2      THR  93  -8.413   3.379   5.861
  763   2HG2  THR  93          2HG2      THR  93  -7.657   4.782   6.623
  764   3HG2  THR  93          1HG2      THR  93  -6.888   3.195   6.731
  765    H    ARG  94           H        ARG  94 -11.642   3.506   8.166
  766    HA   ARG  94           HA       ARG  94 -12.695   3.079   5.481
  767   1HB   ARG  94           HB2      ARG  94 -13.931   4.472   7.865
  768   2HB   ARG  94           HB3      ARG  94 -14.752   4.097   6.357
  769   1HG   ARG  94           HG2      ARG  94 -14.516   1.724   6.789
  770   2HG   ARG  94           HG3      ARG  94 -13.615   2.066   8.266
  771   1HD   ARG  94           HD2      ARG  94 -15.921   1.528   8.789
  772   2HD   ARG  94           HD3      ARG  94 -15.573   3.209   9.190
  773    HE   ARG  94           HE       ARG  94 -16.631   3.074   6.589
  774   1HH1  ARG  94          1HH1      ARG  94 -17.592   2.674   9.914
  775   2HH1  ARG  94          2HH1      ARG  94 -19.239   3.126   9.627
  776   1HH2  ARG  94          1HH2      ARG  94 -18.798   3.670   6.202
  777   2HH2  ARG  94          2HH2      ARG  94 -19.925   3.692   7.518
  778    HA   PRO  95           HA       PRO  95 -10.416   6.858   4.259
  779   1HB   PRO  95           HB2      PRO  95 -12.425   6.466   2.086
  780   2HB   PRO  95           HB3      PRO  95 -10.710   6.867   1.971
  781   1HG   PRO  95           HG2      PRO  95 -11.683   4.364   1.559
  782   2HG   PRO  95           HG3      PRO  95 -10.053   4.683   2.172
  783   1HD   PRO  95           HD2      PRO  95 -12.337   3.515   3.549
  784   2HD   PRO  95           HD3      PRO  95 -10.640   3.581   4.045
  785    H    PHE  96           H        PHE  96 -13.923   6.643   3.565
  786    HA   PHE  96           HA       PHE  96 -14.284   9.455   3.921
  787   1HB   PHE  96           HB2      PHE  96 -16.734   8.735   3.655
  788   2HB   PHE  96           HB3      PHE  96 -15.658   8.499   2.289
  789    HD1  PHE  96           HD1      PHE  96 -17.197   6.766   5.181
  790    HD2  PHE  96           HD2      PHE  96 -15.393   6.381   1.347
  791    HE1  PHE  96           HE1      PHE  96 -17.798   4.383   5.144
  792    HE2  PHE  96           HE2      PHE  96 -15.993   3.995   1.300
  793    HZ   PHE  96           HZ       PHE  96 -17.198   2.993   3.201
  794    H    GLU  97           H        GLU  97 -13.426   7.746   6.289
  795    HA   GLU  97           HA       GLU  97 -15.286   8.940   8.174
  796   1HB   GLU  97           HB2      GLU  97 -14.849   5.976   7.932
  797   2HB   GLU  97           HB3      GLU  97 -15.362   6.709   9.445
  798   1HG   GLU  97           HG2      GLU  97 -16.830   6.998   6.839
  799   2HG   GLU  97           HG3      GLU  97 -17.207   5.789   8.066
  800    H    GLY  98           H        GLY  98 -12.202   8.365   7.264
  801   1HA   GLY  98           HA3      GLY  98 -11.164   9.214   9.816
  802   2HA   GLY  98           HA2      GLY  98 -10.232   8.947   8.349
  803    H    ILE  99           H        ILE  99  -8.892   8.134  10.337
  804    HA   ILE  99           HA       ILE  99  -9.208   5.216  10.348
  805    HB   ILE  99           HB       ILE  99  -6.711   6.688  11.127
  806   1HG1  ILE  99          2HG1      ILE  99  -7.406   5.732   8.343
  807   2HG1  ILE  99          3HG1      ILE  99  -7.528   7.413   8.853
  808   1HG2  ILE  99          3HG2      ILE  99  -7.471   3.892  10.442
  809   2HG2  ILE  99          2HG2      ILE  99  -5.845   4.446  10.036
  810   3HG2  ILE  99          1HG2      ILE  99  -6.403   4.495  11.708
  811   1HD1  ILE  99          1HD1      ILE  99  -5.128   7.435   9.314
  812   2HD1  ILE  99          3HD1      ILE  99  -5.014   5.757   8.785
  813   3HD1  ILE  99          2HD1      ILE  99  -5.470   7.014   7.635
  814    H    LYS 100           H        LYS 100  -8.612   4.033  12.267
  815    HA   LYS 100           HA       LYS 100  -8.885   5.530  14.777
  816   1HB   LYS 100           HB2      LYS 100 -10.321   2.937  14.242
  817   2HB   LYS 100           HB3      LYS 100 -10.516   4.003  15.615
  818   1HG   LYS 100           HG2      LYS 100 -11.509   5.701  14.188
  819   2HG   LYS 100           HG3      LYS 100 -11.270   4.667  12.778
  820   1HD   LYS 100           HD2      LYS 100 -12.632   3.105  14.676
  821   2HD   LYS 100           HD3      LYS 100 -13.425   4.682  14.673
  822   1HE   LYS 100           HE2      LYS 100 -13.673   4.552  12.243
  823   2HE   LYS 100           HE3      LYS 100 -12.880   2.977  12.246
  824   1HZ   LYS 100           HZ1      LYS 100 -15.442   3.620  13.603
  825   2HZ   LYS 100           HZ3      LYS 100 -15.281   2.760  12.155
  826   3HZ   LYS 100           HZ2      LYS 100 -14.683   2.109  13.597
  827    HA   PRO 101           HA       PRO 101  -5.727   2.851  16.312
  828   1HB   PRO 101           HB2      PRO 101  -6.989   2.482  18.895
  829   2HB   PRO 101           HB3      PRO 101  -5.616   3.502  18.476
  830   1HG   PRO 101           HG2      PRO 101  -8.058   4.472  19.214
  831   2HG   PRO 101           HG3      PRO 101  -6.924   5.344  18.174
  832   1HD   PRO 101           HD2      PRO 101  -9.358   3.776  17.426
  833   2HD   PRO 101           HD3      PRO 101  -8.751   5.306  16.758
  834    H    GLU 102           H        GLU 102  -8.984   1.748  17.195
  835    HA   GLU 102           HA       GLU 102  -8.299  -0.928  17.710
  836   1HB   GLU 102           HB2      GLU 102 -10.738  -1.367  17.397
  837   2HB   GLU 102           HB3      GLU 102 -10.367  -0.084  18.544
  838   1HG   GLU 102           HG2      GLU 102 -10.818   1.578  16.830
  839   2HG   GLU 102           HG3      GLU 102 -11.196   0.295  15.685
  840    H    ASN 103           H        ASN 103  -8.898   0.806  14.775
  841    HA   ASN 103           HA       ASN 103  -9.651  -1.146  12.997
  842   1HB   ASN 103           HB2      ASN 103  -7.851   1.242  12.694
  843   2HB   ASN 103           HB3      ASN 103  -8.186   0.185  11.327
  844   1HD2  ASN 103          1HD2      ASN 103 -10.576   0.683  13.782
  845   2HD2  ASN 103          2HD2      ASN 103 -11.634   1.671  12.841
  846    H    GLU 104           H        GLU 104  -8.584  -2.609  11.643
  847    HA   GLU 104           HA       GLU 104  -6.604  -4.180  12.757
  848   1HB   GLU 104           HB2      GLU 104  -8.232  -4.393  10.603
  849   2HB   GLU 104           HB3      GLU 104  -6.689  -4.125   9.805
  850   1HG   GLU 104           HG2      GLU 104  -5.775  -6.076  10.621
  851   2HG   GLU 104           HG3      GLU 104  -6.929  -6.185  11.951
  852    H    ARG 105           H        ARG 105  -4.417  -4.619  11.943
  853    HA   ARG 105           HA       ARG 105  -3.064  -2.224  10.899
  854   1HB   ARG 105           HB2      ARG 105  -2.823  -2.272  13.351
  855   2HB   ARG 105           HB3      ARG 105  -2.141  -3.884  13.251
  856   1HG   ARG 105           HG2      ARG 105  -0.213  -2.687  13.413
  857   2HG   ARG 105           HG3      ARG 105  -0.422  -2.667  11.655
  858   1HD   ARG 105           HD2      ARG 105   0.091  -0.441  12.451
  859   2HD   ARG 105           HD3      ARG 105  -1.557  -0.500  11.822
  860    HE   ARG 105           HE       ARG 105  -1.706  -0.999  14.545
  861   1HH1  ARG 105          1HH1      ARG 105  -0.723   1.603  12.444
  862   2HH1  ARG 105          2HH1      ARG 105  -1.141   2.847  13.573
  863   1HH2  ARG 105          1HH2      ARG 105  -2.261   0.635  16.038
  864   2HH2  ARG 105          2HH2      ARG 105  -2.015   2.297  15.617
  865    H    TYR 106           H        TYR 106  -0.933  -2.635  10.042
  866    HA   TYR 106           HA       TYR 106   0.159  -5.208   9.689
  867   1HB   TYR 106           HB2      TYR 106  -1.811  -5.353   8.115
  868   2HB   TYR 106           HB3      TYR 106  -1.066  -4.066   7.168
  869    HD1  TYR 106           HD1      TYR 106  -0.935  -7.570   8.146
  870    HD2  TYR 106           HD2      TYR 106   0.970  -4.523   5.875
  871    HE1  TYR 106           HE1      TYR 106   0.350  -9.277   6.948
  872    HE2  TYR 106           HE2      TYR 106   2.265  -6.226   4.666
  873    HH   TYR 106           HH       TYR 106   3.029  -8.540   4.997
  874    H    THR 107           H        THR 107   1.554  -3.470  10.678
  875    HA   THR 107           HA       THR 107   2.762  -1.626   8.796
  876    HB   THR 107           HB       THR 107   3.618  -2.130  11.643
  877    HG1  THR 107           HG1      THR 107   2.021  -0.834  12.302
  878   1HG2  THR 107          2HG2      THR 107   3.871   0.268   9.828
  879   2HG2  THR 107          1HG2      THR 107   4.412   0.185  11.504
  880   3HG2  THR 107          3HG2      THR 107   5.171  -0.832  10.281
  881    H    LEU 108           H        LEU 108   3.892  -2.841   7.324
  882    HA   LEU 108           HA       LEU 108   5.661  -4.949   8.098
  883   1HB   LEU 108           HB2      LEU 108   4.626  -5.030   5.935
  884   2HB   LEU 108           HB3      LEU 108   5.276  -3.466   5.505
  885    HG   LEU 108           HG       LEU 108   7.531  -4.378   5.427
  886   1HD1  LEU 108          2HD1      LEU 108   6.246  -7.002   6.174
  887   2HD1  LEU 108          1HD1      LEU 108   7.930  -6.774   5.703
  888   3HD1  LEU 108          3HD1      LEU 108   7.325  -6.045   7.191
  889   1HD2  LEU 108          1HD2      LEU 108   6.120  -4.489   3.422
  890   2HD2  LEU 108          3HD2      LEU 108   7.288  -5.806   3.493
  891   3HD2  LEU 108          2HD2      LEU 108   5.598  -6.106   3.894
  892    H    HIS 109           H        HIS 109   7.157  -4.151   9.535
  893    HA   HIS 109           HA       HIS 109   8.707  -1.802   8.964
  894   1HB   HIS 109           HB2      HIS 109   8.641  -3.823  11.138
  895   2HB   HIS 109           HB3      HIS 109  10.078  -2.826  10.955
  896    HD1  HIS 109           HD1      HIS 109   9.950  -0.445  11.780
  897    HD2  HIS 109           HD2      HIS 109   6.266  -2.366  11.787
  898    HE1  HIS 109           HE1      HIS 109   8.392   1.097  13.011
  899    HE2  HIS 109           HE2      HIS 109   6.187  -0.123  13.073
  900    H    LEU 110           H        LEU 110  10.736  -1.647   8.222
  901    HA   LEU 110           HA       LEU 110  12.239  -4.048   7.548
  902   1HB   LEU 110           HB2      LEU 110  11.508  -1.922   5.535
  903   2HB   LEU 110           HB3      LEU 110  12.631  -3.237   5.246
  904    HG   LEU 110           HG       LEU 110   9.694  -3.596   5.870
  905   1HD1  LEU 110          1HD1      LEU 110  11.154  -3.704   3.234
  906   2HD1  LEU 110          3HD1      LEU 110   9.474  -4.174   3.492
  907   3HD1  LEU 110          2HD1      LEU 110   9.965  -2.497   3.728
  908   1HD2  LEU 110          3HD2      LEU 110  11.194  -5.471   6.508
  909   2HD2  LEU 110          2HD2      LEU 110  10.019  -5.888   5.262
  910   3HD2  LEU 110          1HD2      LEU 110  11.699  -5.583   4.821
  911    H    ASN 111           H        ASN 111  14.004  -3.593   8.775
  912    HA   ASN 111           HA       ASN 111  15.115  -0.933   8.889
  913   1HB   ASN 111           HB2      ASN 111  15.142  -2.715  10.766
  914   2HB   ASN 111           HB3      ASN 111  16.476  -3.436   9.874
  915   1HD2  ASN 111          1HD2      ASN 111  17.464  -0.826   8.967
  916   2HD2  ASN 111          2HD2      ASN 111  18.236  -0.118  10.337
  917    H    VAL 112           H        VAL 112  15.182  -1.038   6.459
  918    HA   VAL 112           HA       VAL 112  16.752  -2.586   4.873
  919    HB   VAL 112           HB       VAL 112  16.889   0.370   4.441
  920   1HG1  VAL 112          2HG1      VAL 112  17.861  -1.180   2.813
  921   2HG1  VAL 112          1HG1      VAL 112  16.288  -1.956   2.626
  922   3HG1  VAL 112          3HG1      VAL 112  16.508  -0.278   2.128
  923   1HG2  VAL 112          3HG2      VAL 112  14.384  -1.294   4.332
  924   2HG2  VAL 112          2HG2      VAL 112  14.659   0.204   5.222
  925   3HG2  VAL 112          1HG2      VAL 112  14.570   0.229   3.462
  926    H    LYS 113           H        LYS 113  18.790  -3.223   5.127
  927    HA   LYS 113           HA       LYS 113  20.725  -1.484   6.440
  928   1HB   LYS 113           HB2      LYS 113  20.782  -4.381   5.607
  929   2HB   LYS 113           HB3      LYS 113  22.193  -3.547   6.243
  930   1HG   LYS 113           HG2      LYS 113  19.627  -3.550   7.771
  931   2HG   LYS 113           HG3      LYS 113  20.714  -4.938   7.836
  932   1HD   LYS 113           HD2      LYS 113  22.518  -3.531   8.633
  933   2HD   LYS 113           HD3      LYS 113  21.506  -2.095   8.468
  934   1HE   LYS 113           HE2      LYS 113  20.888  -4.419  10.284
  935   2HE   LYS 113           HE3      LYS 113  21.692  -2.938  10.800
  936   1HZ   LYS 113           HZ2      LYS 113  18.977  -3.064   9.603
  937   2HZ   LYS 113           HZ1      LYS 113  19.301  -2.918  11.258
  938   3HZ   LYS 113           HZ3      LYS 113  19.748  -1.679  10.195

  No H/Q in entry =         938
  Start of MODEL    4
    1    H1   GLY  -2           HT2      GLY  -2  -8.676 -21.902   2.209
    2    H2   GLY  -2           HT1      GLY  -2  -9.056 -20.280   2.502
    3    H3   GLY  -2           HT3      GLY  -2  -7.926 -20.682   1.309
    4   1HA   GLY  -2           HA2      GLY  -2  -6.806 -19.858   3.276
    5   2HA   GLY  -2           HA3      GLY  -2  -6.410 -21.543   2.970
    6    H    SER  -1           H        SER  -1  -6.419 -19.897   5.463
    7    HA   SER  -1           HA       SER  -1  -7.838 -21.843   7.109
    8   1HB   SER  -1           HB2      SER  -1  -6.538 -20.879   8.978
    9   2HB   SER  -1           HB3      SER  -1  -5.494 -21.396   7.654
   10    HG   SER  -1           HG       SER  -1  -6.409 -18.746   7.730
   11    H    HIS   0           H        HIS   0  -8.040 -18.545   6.112
   12    HA   HIS   0           HA       HIS   0 -10.344 -18.170   7.905
   13   1HB   HIS   0           HB2      HIS   0  -8.330 -16.070   7.076
   14   2HB   HIS   0           HB3      HIS   0  -9.782 -15.767   8.025
   15    HD1  HIS   0           HD1      HIS   0  -6.280 -16.811   8.320
   16    HD2  HIS   0           HD2      HIS   0  -9.709 -16.949  10.662
   17    HE1  HIS   0           HE1      HIS   0  -5.479 -17.290  10.655
   18    HE2  HIS   0           HE2      HIS   0  -7.579 -17.452  12.040
   19    H    MET   1           H        MET   1 -11.936 -16.591   7.099
   20    HA   MET   1           HA       MET   1 -12.487 -17.075   4.317
   21   1HB   MET   1           HB2      MET   1 -13.982 -15.421   6.360
   22   2HB   MET   1           HB3      MET   1 -14.575 -15.828   4.756
   23   1HG   MET   1           HG2      MET   1 -14.529 -18.201   5.346
   24   2HG   MET   1           HG3      MET   1 -13.951 -17.784   6.958
   25   1HE   MET   1           HE1      MET   1 -15.386 -16.441   8.744
   26   2HE   MET   1           HE3      MET   1 -15.619 -15.139   7.576
   27   3HE   MET   1           HE2      MET   1 -17.006 -15.819   8.426
   28    H    ILE   2           H        ILE   2 -13.621 -14.925   3.276
   29    HA   ILE   2           HA       ILE   2 -11.389 -13.233   2.668
   30    HB   ILE   2           HB       ILE   2 -12.949 -12.065   1.151
   31   1HG1  ILE   2          2HG1      ILE   2 -14.999 -14.049   2.166
   32   2HG1  ILE   2          3HG1      ILE   2 -14.975 -12.337   2.576
   33   1HG2  ILE   2          1HG2      ILE   2 -11.743 -14.037   0.385
   34   2HG2  ILE   2          3HG2      ILE   2 -13.044 -15.074   0.970
   35   3HG2  ILE   2          2HG2      ILE   2 -13.340 -13.953  -0.358
   36   1HD1  ILE   2          3HD1      ILE   2 -15.309 -11.771   0.226
   37   2HD1  ILE   2          2HD1      ILE   2 -15.341 -13.487  -0.179
   38   3HD1  ILE   2          1HD1      ILE   2 -16.603 -12.799   0.844
   39    H    ALA   3           H        ALA   3 -13.569 -13.215   5.162
   40    HA   ALA   3           HA       ALA   3 -13.239 -10.312   5.541
   41   1HB   ALA   3           HB2      ALA   3 -15.617 -11.968   6.379
   42   2HB   ALA   3           HB3      ALA   3 -15.571 -10.845   5.021
   43   3HB   ALA   3           HB1      ALA   3 -15.397 -10.242   6.668
   44    HA   PRO   4           HA       PRO   4 -11.166 -11.247   9.332
   45   1HB   PRO   4           HB2      PRO   4 -12.538  -8.889  10.482
   46   2HB   PRO   4           HB3      PRO   4 -10.811  -9.218  10.321
   47   1HG   PRO   4           HG2      PRO   4 -12.021  -7.417   8.763
   48   2HG   PRO   4           HG3      PRO   4 -10.736  -8.464   8.133
   49   1HD   PRO   4           HD2      PRO   4 -13.701  -8.678   7.782
   50   2HD   PRO   4           HD3      PRO   4 -12.404  -8.960   6.602
   51    H    LEU   5           H        LEU   5 -11.564 -11.706  11.618
   52    HA   LEU   5           HA       LEU   5 -14.213 -11.821  12.661
   53   1HB   LEU   5           HB2      LEU   5 -14.364 -13.677  11.069
   54   2HB   LEU   5           HB3      LEU   5 -12.948 -14.420  11.785
   55    HG   LEU   5           HG       LEU   5 -14.189 -14.725  13.898
   56   1HD1  LEU   5          2HD1      LEU   5 -16.518 -13.622  12.332
   57   2HD1  LEU   5          1HD1      LEU   5 -16.617 -14.373  13.925
   58   3HD1  LEU   5          3HD1      LEU   5 -15.733 -12.861  13.716
   59   1HD2  LEU   5          1HD2      LEU   5 -15.565 -15.850  11.462
   60   2HD2  LEU   5          3HD2      LEU   5 -14.140 -16.522  12.255
   61   3HD2  LEU   5          2HD2      LEU   5 -15.686 -16.489  13.103
   62    H    SER   6           H        SER   6 -10.953 -13.191  12.782
   63    HA   SER   6           HA       SER   6 -10.991 -12.831  15.706
   64   1HB   SER   6           HB2      SER   6  -9.634 -15.053  14.154
   65   2HB   SER   6           HB3      SER   6  -9.509 -14.802  15.896
   66    HG   SER   6           HG       SER   6 -12.064 -14.986  14.795
   67    H    VAL   7           H        VAL   7  -8.206 -13.638  15.931
   68    HA   VAL   7           HA       VAL   7  -6.932 -11.182  15.717
   69    HB   VAL   7           HB       VAL   7  -4.821 -12.373  16.046
   70   1HG1  VAL   7          3HG1      VAL   7  -6.264 -12.002  17.972
   71   2HG1  VAL   7          2HG1      VAL   7  -7.088 -13.531  17.665
   72   3HG1  VAL   7          1HG1      VAL   7  -5.387 -13.523  18.133
   73   1HG2  VAL   7          1HG2      VAL   7  -6.444 -14.869  15.561
   74   2HG2  VAL   7          3HG2      VAL   7  -5.169 -14.232  14.523
   75   3HG2  VAL   7          2HG2      VAL   7  -4.778 -14.829  16.136
   76    H    LYS   8           H        LYS   8  -4.819 -10.875  14.410
   77    HA   LYS   8           HA       LYS   8  -4.693 -12.052  11.817
   78   1HB   LYS   8           HB2      LYS   8  -6.629 -10.506  11.550
   79   2HB   LYS   8           HB3      LYS   8  -5.569  -9.163  11.954
   80   1HG   LYS   8           HG2      LYS   8  -5.781  -9.222   9.595
   81   2HG   LYS   8           HG3      LYS   8  -4.160  -9.795   9.989
   82   1HD   LYS   8           HD2      LYS   8  -4.925 -12.112   9.741
   83   2HD   LYS   8           HD3      LYS   8  -6.540 -11.530   9.330
   84   1HE   LYS   8           HE2      LYS   8  -5.624 -10.382   7.371
   85   2HE   LYS   8           HE3      LYS   8  -4.012 -10.970   7.781
   86   1HZ   LYS   8           HZ2      LYS   8  -6.349 -12.670   7.094
   87   2HZ   LYS   8           HZ1      LYS   8  -5.042 -12.332   6.076
   88   3HZ   LYS   8           HZ3      LYS   8  -4.804 -13.234   7.487
   89    H    ASP   9           H        ASP   9  -2.687 -11.907  11.088
   90    HA   ASP   9           HA       ASP   9  -0.689 -10.590  12.629
   91   1HB   ASP   9           HB2      ASP   9  -0.261 -12.706  11.418
   92   2HB   ASP   9           HB3      ASP   9  -0.457 -11.854   9.888
   93    H    ASN  10           H        ASN  10  -0.020  -8.545  12.478
   94    HA   ASN  10           HA       ASN  10  -0.524  -7.108   9.974
   95   1HB   ASN  10           HB2      ASN  10  -0.653  -5.071  11.619
   96   2HB   ASN  10           HB3      ASN  10  -2.060  -6.079  11.330
   97   1HD2  ASN  10          1HD2      ASN  10  -1.420  -4.370  13.570
   98   2HD2  ASN  10          2HD2      ASN  10  -1.427  -5.385  14.962
   99    H    ASP  11           H        ASP  11   0.957  -5.680  12.740
  100    HA   ASP  11           HA       ASP  11   3.081  -4.547  11.466
  101   1HB   ASP  11           HB2      ASP  11   2.983  -5.489  14.335
  102   2HB   ASP  11           HB3      ASP  11   4.110  -4.307  13.680
  103    H    LYS  12           H        LYS  12   4.344  -5.669  10.147
  104    HA   LYS  12           HA       LYS  12   5.568  -8.160  11.053
  105   1HB   LYS  12           HB2      LYS  12   4.670  -8.376   8.881
  106   2HB   LYS  12           HB3      LYS  12   5.303  -6.818   8.372
  107   1HG   LYS  12           HG2      LYS  12   7.527  -7.665   8.310
  108   2HG   LYS  12           HG3      LYS  12   7.022  -9.195   9.031
  109   1HD   LYS  12           HD2      LYS  12   5.739  -9.757   7.081
  110   2HD   LYS  12           HD3      LYS  12   6.020  -8.162   6.381
  111   1HE   LYS  12           HE2      LYS  12   8.396  -8.635   6.207
  112   2HE   LYS  12           HE3      LYS  12   8.155 -10.208   6.966
  113   1HZ   LYS  12           HZ1      LYS  12   6.773 -10.856   5.091
  114   2HZ   LYS  12           HZ3      LYS  12   7.009  -9.348   4.363
  115   3HZ   LYS  12           HZ2      LYS  12   8.315 -10.404   4.567
  116    H    TRP  13           H        TRP  13   7.106  -7.477  12.488
  117    HA   TRP  13           HA       TRP  13   8.963  -5.380  11.858
  118   1HB   TRP  13           HB2      TRP  13   9.206  -7.282  14.168
  119   2HB   TRP  13           HB3      TRP  13   9.687  -5.594  14.065
  120    HD1  TRP  13           HD1      TRP  13   6.465  -7.717  14.257
  121    HE1  TRP  13           HE1      TRP  13   4.606  -6.294  15.320
  122    HE3  TRP  13           HE3      TRP  13   8.994  -3.295  14.737
  123    HZ2  TRP  13           HZ2      TRP  13   4.236  -3.645  16.228
  124    HZ3  TRP  13           HZ3      TRP  13   7.819  -1.371  15.725
  125    HH2  TRP  13           HH2      TRP  13   5.498  -1.546  16.461
  126    H    VAL  14           H        VAL  14  10.334  -5.883  10.200
  127    HA   VAL  14           HA       VAL  14  12.242  -8.035  10.737
  128    HB   VAL  14           HB       VAL  14  12.050  -9.031   8.511
  129   1HG1  VAL  14          3HG1      VAL  14  10.827 -10.038  10.376
  130   2HG1  VAL  14          2HG1      VAL  14   9.425  -9.040   9.995
  131   3HG1  VAL  14          1HG1      VAL  14   9.975 -10.259   8.848
  132   1HG2  VAL  14          3HG2      VAL  14  11.133  -7.046   7.368
  133   2HG2  VAL  14          2HG2      VAL  14  10.216  -8.514   7.030
  134   3HG2  VAL  14          1HG2      VAL  14   9.588  -7.325   8.171
  135    H    ASP  15           H        ASP  15  13.647  -8.163   8.495
  136    HA   ASP  15           HA       ASP  15  14.753  -5.461   8.215
  137   1HB   ASP  15           HB2      ASP  15  16.020  -7.750   8.844
  138   2HB   ASP  15           HB3      ASP  15  16.154  -7.827   7.089
  139    H    THR  16           H        THR  16  16.164  -5.865   5.810
  140    HA   THR  16           HA       THR  16  14.679  -6.856   3.671
  141    HB   THR  16           HB       THR  16  13.124  -4.973   4.531
  142    HG1  THR  16           HG1      THR  16  13.775  -4.706   1.797
  143   1HG2  THR  16          3HG2      THR  16  14.849  -3.247   4.740
  144   2HG2  THR  16          2HG2      THR  16  15.132  -3.324   3.002
  145   3HG2  THR  16          1HG2      THR  16  13.579  -2.761   3.618
  146    H    HIS  17           H        HIS  17  15.168  -5.343   1.588
  147    HA   HIS  17           HA       HIS  17  18.037  -4.675   1.690
  148   1HB   HIS  17           HB2      HIS  17  16.447  -6.058  -0.472
  149   2HB   HIS  17           HB3      HIS  17  18.059  -5.408  -0.741
  150    HD1  HIS  17           HD1      HIS  17  16.291  -8.352   0.513
  151    HD2  HIS  17           HD2      HIS  17  20.103  -6.731   0.846
  152    HE1  HIS  17           HE1      HIS  17  17.742 -10.217   1.372
  153    HE2  HIS  17           HE2      HIS  17  20.061  -9.238   1.480
  154    H    VAL  18           H        VAL  18  18.228  -3.630  -0.916
  155    HA   VAL  18           HA       VAL  18  16.756  -1.131  -0.534
  156    HB   VAL  18           HB       VAL  18  18.983  -1.665  -2.499
  157   1HG1  VAL  18          3HG1      VAL  18  17.753   0.891  -1.462
  158   2HG1  VAL  18          2HG1      VAL  18  19.172   0.798  -2.507
  159   3HG1  VAL  18          1HG1      VAL  18  17.606   0.238  -3.094
  160   1HG2  VAL  18          2HG2      VAL  18  19.109  -0.508   0.282
  161   2HG2  VAL  18          1HG2      VAL  18  19.814  -2.031  -0.257
  162   3HG2  VAL  18          3HG2      VAL  18  20.436  -0.503  -0.879
  163    H    GLY  19           H        GLY  19  14.923  -0.864  -1.558
  164   1HA   GLY  19           HA3      GLY  19  14.656  -1.136  -4.369
  165   2HA   GLY  19           HA2      GLY  19  13.369  -0.782  -3.234
  166    H    LYS  20           H        LYS  20  14.471  -3.489  -1.938
  167    HA   LYS  20           HA       LYS  20  13.751  -5.531  -3.714
  168   1HB   LYS  20           HB2      LYS  20  14.847  -5.568  -1.296
  169   2HB   LYS  20           HB3      LYS  20  13.190  -5.851  -0.799
  170   1HG   LYS  20           HG2      LYS  20  13.785  -7.998  -1.075
  171   2HG   LYS  20           HG3      LYS  20  13.365  -7.659  -2.758
  172   1HD   LYS  20           HD2      LYS  20  15.668  -7.202  -3.287
  173   2HD   LYS  20           HD3      LYS  20  16.113  -7.355  -1.590
  174   1HE   LYS  20           HE2      LYS  20  15.016  -9.557  -3.333
  175   2HE   LYS  20           HE3      LYS  20  16.702  -9.367  -2.857
  176   1HZ   LYS  20           HZ3      LYS  20  14.428  -9.837  -1.006
  177   2HZ   LYS  20           HZ2      LYS  20  15.573 -10.990  -1.475
  178   3HZ   LYS  20           HZ1      LYS  20  16.048  -9.655  -0.550
  179    H    THR  21           H        THR  21  11.899  -4.902  -4.808
  180    HA   THR  21           HA       THR  21   9.560  -3.875  -3.874
  181    HB   THR  21           HB       THR  21   9.582  -6.059  -5.949
  182    HG1  THR  21           HG1      THR  21  11.255  -4.346  -6.222
  183   1HG2  THR  21          3HG2      THR  21   7.398  -5.145  -5.219
  184   2HG2  THR  21          2HG2      THR  21   7.943  -3.535  -5.688
  185   3HG2  THR  21          1HG2      THR  21   7.753  -4.792  -6.910
  186    H    THR  22           H        THR  22   8.637  -4.510  -2.033
  187    HA   THR  22           HA       THR  22   8.234  -7.344  -1.492
  188    HB   THR  22           HB       THR  22   7.553  -4.925   0.200
  189    HG1  THR  22           HG1      THR  22   9.547  -6.731   0.931
  190   1HG2  THR  22          2HG2      THR  22   6.135  -6.857   0.722
  191   2HG2  THR  22          1HG2      THR  22   7.572  -7.861   0.914
  192   3HG2  THR  22          3HG2      THR  22   7.274  -6.527   2.030
  193    H    GLU  23           H        GLU  23   6.691  -8.000  -2.894
  194    HA   GLU  23           HA       GLU  23   4.228  -6.586  -3.249
  195   1HB   GLU  23           HB2      GLU  23   5.288  -7.909  -5.043
  196   2HB   GLU  23           HB3      GLU  23   5.056  -9.366  -4.089
  197   1HG   GLU  23           HG2      GLU  23   2.672  -9.160  -4.244
  198   2HG   GLU  23           HG3      GLU  23   2.831  -7.590  -5.030
  199    H    ILE  24           H        ILE  24   2.431  -6.811  -2.116
  200    HA   ILE  24           HA       ILE  24   2.073  -9.221  -0.486
  201    HB   ILE  24           HB       ILE  24   1.518  -6.439   0.509
  202   1HG1  ILE  24          2HG1      ILE  24   3.791  -8.310   1.199
  203   2HG1  ILE  24          3HG1      ILE  24   3.934  -6.808   0.295
  204   1HG2  ILE  24          1HG2      ILE  24   0.065  -8.173   1.430
  205   2HG2  ILE  24          3HG2      ILE  24   1.482  -9.103   1.919
  206   3HG2  ILE  24          2HG2      ILE  24   1.157  -7.537   2.660
  207   1HD1  ILE  24          1HD1      ILE  24   3.212  -5.558   2.266
  208   2HD1  ILE  24          3HD1      ILE  24   3.102  -7.066   3.173
  209   3HD1  ILE  24          2HD1      ILE  24   4.665  -6.508   2.577
  210    H    HIS  25           H        HIS  25   0.384 -10.103  -1.502
  211    HA   HIS  25           HA       HIS  25  -1.828  -8.520  -2.454
  212   1HB   HIS  25           HB2      HIS  25  -1.850 -11.513  -2.209
  213   2HB   HIS  25           HB3      HIS  25  -2.663 -10.500  -3.390
  214    HD1  HIS  25           HD1      HIS  25  -0.049 -12.807  -3.281
  215    HD2  HIS  25           HD2      HIS  25  -0.449  -9.037  -4.980
  216    HE1  HIS  25           HE1      HIS  25   1.704 -12.691  -5.079
  217    HE2  HIS  25           HE2      HIS  25   1.358 -10.449  -6.175
  218    H    LEU  26           H        LEU  26  -2.874  -7.600  -0.760
  219    HA   LEU  26           HA       LEU  26  -3.576  -9.210   1.566
  220   1HB   LEU  26           HB2      LEU  26  -4.234  -6.326   1.036
  221   2HB   LEU  26           HB3      LEU  26  -4.295  -7.153   2.576
  222    HG   LEU  26           HG       LEU  26  -1.684  -6.910   1.125
  223   1HD1  LEU  26          3HD1      LEU  26  -2.929  -4.791   2.872
  224   2HD1  LEU  26          2HD1      LEU  26  -1.261  -4.802   2.299
  225   3HD1  LEU  26          1HD1      LEU  26  -2.589  -4.653   1.147
  226   1HD2  LEU  26          1HD2      LEU  26  -1.867  -8.354   3.109
  227   2HD2  LEU  26          3HD2      LEU  26  -0.781  -6.990   3.372
  228   3HD2  LEU  26          2HD2      LEU  26  -2.408  -6.965   4.054
  229    H    LYS  27           H        LYS  27  -5.650  -9.770   2.101
  230    HA   LYS  27           HA       LYS  27  -7.613  -9.473  -0.049
  231   1HB   LYS  27           HB2      LYS  27  -7.667 -11.321   2.336
  232   2HB   LYS  27           HB3      LYS  27  -8.808 -11.321   1.002
  233   1HG   LYS  27           HG2      LYS  27  -7.209 -12.120  -0.517
  234   2HG   LYS  27           HG3      LYS  27  -5.871 -11.773   0.579
  235   1HD   LYS  27           HD2      LYS  27  -6.703 -13.500   2.116
  236   2HD   LYS  27           HD3      LYS  27  -8.022 -13.851   0.998
  237   1HE   LYS  27           HE2      LYS  27  -5.078 -14.152   0.416
  238   2HE   LYS  27           HE3      LYS  27  -6.205 -15.465   0.760
  239   1HZ   LYS  27           HZ2      LYS  27  -6.361 -13.621  -1.563
  240   2HZ   LYS  27           HZ1      LYS  27  -5.827 -15.225  -1.611
  241   3HZ   LYS  27           HZ3      LYS  27  -7.441 -14.880  -1.232
  242    H    GLY  28           H        GLY  28  -9.913  -9.257   0.661
  243   1HA   GLY  28           HA3      GLY  28 -10.164  -6.865   2.185
  244   2HA   GLY  28           HA2      GLY  28 -10.740  -8.249   3.095
  245    H    ASN  29           H        ASN  29 -11.923  -5.785   1.572
  246    HA   ASN  29           HA       ASN  29 -13.624  -6.790  -0.437
  247   1HB   ASN  29           HB2      ASN  29 -14.590  -8.026   1.497
  248   2HB   ASN  29           HB3      ASN  29 -14.946  -6.483   2.267
  249   1HD2  ASN  29          1HD2      ASN  29 -17.143  -6.832   2.298
  250   2HD2  ASN  29          2HD2      ASN  29 -18.112  -6.798   0.868
  251    HA   PRO  30           HA       PRO  30 -13.193  -2.218  -0.431
  252   1HB   PRO  30           HB2      PRO  30 -14.122  -2.062  -3.047
  253   2HB   PRO  30           HB3      PRO  30 -12.428  -2.183  -2.566
  254   1HG   PRO  30           HG2      PRO  30 -14.297  -4.321  -3.488
  255   2HG   PRO  30           HG3      PRO  30 -12.575  -4.103  -3.848
  256   1HD   PRO  30           HD2      PRO  30 -13.398  -5.925  -2.076
  257   2HD   PRO  30           HD3      PRO  30 -11.909  -4.994  -1.808
  258    H    THR  31           H        THR  31 -15.888  -4.304  -0.849
  259    HA   THR  31           HA       THR  31 -17.758  -2.048  -0.925
  260    HB   THR  31           HB       THR  31 -19.496  -3.761  -1.357
  261    HG1  THR  31           HG1      THR  31 -18.710  -5.626  -0.515
  262   1HG2  THR  31          2HG2      THR  31 -18.372  -2.634  -3.223
  263   2HG2  THR  31          1HG2      THR  31 -17.135  -3.890  -3.234
  264   3HG2  THR  31          3HG2      THR  31 -18.803  -4.293  -3.639
  265    H    THR  32           H        THR  32 -16.178  -3.051   1.476
  266    HA   THR  32           HA       THR  32 -18.399  -3.850   3.219
  267    HB   THR  32           HB       THR  32 -16.208  -5.130   3.267
  268    HG1  THR  32           HG1      THR  32 -17.068  -5.637   5.127
  269   1HG2  THR  32          1HG2      THR  32 -14.727  -3.141   3.161
  270   2HG2  THR  32          3HG2      THR  32 -15.259  -2.694   4.782
  271   3HG2  THR  32          2HG2      THR  32 -14.366  -4.194   4.528
  272    H    GLY  33           H        GLY  33 -16.113  -1.265   2.636
  273   1HA   GLY  33           HA3      GLY  33 -17.212   0.213   4.937
  274   2HA   GLY  33           HA2      GLY  33 -17.227   0.935   3.335
  275    H    TYR  34           H        TYR  34 -14.656  -1.023   4.783
  276    HA   TYR  34           HA       TYR  34 -13.010   1.361   5.128
  277   1HB   TYR  34           HB2      TYR  34 -12.595  -1.517   5.942
  278   2HB   TYR  34           HB3      TYR  34 -11.386  -0.260   6.176
  279    HD1  TYR  34           HD1      TYR  34 -14.909  -1.123   7.017
  280    HD2  TYR  34           HD2      TYR  34 -11.404   1.028   8.135
  281    HE1  TYR  34           HE1      TYR  34 -15.956  -0.538   9.162
  282    HE2  TYR  34           HE2      TYR  34 -12.448   1.615  10.281
  283    HH   TYR  34           HH       TYR  34 -15.270   0.124  11.428
  284    H    MET  35           H        MET  35 -10.519   0.622   4.714
  285    HA   MET  35           HA       MET  35 -10.198  -0.597   2.109
  286   1HB   MET  35           HB2      MET  35 -10.414   1.533   1.246
  287   2HB   MET  35           HB3      MET  35  -9.860   2.297   2.730
  288   1HG   MET  35           HG2      MET  35  -7.575   1.612   2.234
  289   2HG   MET  35           HG3      MET  35  -8.130   0.853   0.760
  290   1HE   MET  35           HE1      MET  35 -10.324   2.885  -0.261
  291   2HE   MET  35           HE3      MET  35  -9.394   3.955  -1.309
  292   3HE   MET  35           HE2      MET  35  -9.112   2.215  -1.354
  293    H    TRP  36           H        TRP  36  -8.072  -1.256   1.735
  294    HA   TRP  36           HA       TRP  36  -6.385  -1.246   4.135
  295   1HB   TRP  36           HB2      TRP  36  -6.960  -3.227   2.074
  296   2HB   TRP  36           HB3      TRP  36  -5.242  -3.022   2.371
  297    HD1  TRP  36           HD1      TRP  36  -7.927  -5.133   3.472
  298    HE1  TRP  36           HE1      TRP  36  -7.517  -6.083   5.831
  299    HE3  TRP  36           HE3      TRP  36  -4.178  -2.004   4.963
  300    HZ2  TRP  36           HZ2      TRP  36  -5.826  -5.570   8.028
  301    HZ3  TRP  36           HZ3      TRP  36  -3.221  -2.300   7.202
  302    HH2  TRP  36           HH2      TRP  36  -4.032  -4.042   8.701
  303    H    THR  37           H        THR  37  -5.532   0.825   3.791
  304    HA   THR  37           HA       THR  37  -3.469   0.888   1.704
  305    HB   THR  37           HB       THR  37  -5.413   2.191   0.886
  306    HG1  THR  37           HG1      THR  37  -3.224   3.884   1.579
  307   1HG2  THR  37          2HG2      THR  37  -6.278   2.935   3.059
  308   2HG2  THR  37          1HG2      THR  37  -4.854   3.951   3.280
  309   3HG2  THR  37          3HG2      THR  37  -5.993   4.301   1.980
  310    H    ARG  38           H        ARG  38  -1.833   2.668   2.158
  311    HA   ARG  38           HA       ARG  38  -0.822   2.430   4.771
  312   1HB   ARG  38           HB2      ARG  38  -0.166   4.145   2.403
  313   2HB   ARG  38           HB3      ARG  38   0.581   4.491   3.948
  314   1HG   ARG  38           HG2      ARG  38   1.940   2.741   3.864
  315   2HG   ARG  38           HG3      ARG  38   0.718   1.701   3.137
  316   1HD   ARG  38           HD2      ARG  38   1.905   3.903   1.524
  317   2HD   ARG  38           HD3      ARG  38   2.817   2.445   1.767
  318    HE   ARG  38           HE       ARG  38   0.799   2.748  -0.088
  319   1HH1  ARG  38          1HH1      ARG  38   1.698   0.492   2.411
  320   2HH1  ARG  38          2HH1      ARG  38   0.845  -0.835   1.697
  321   1HH2  ARG  38          1HH2      ARG  38  -0.328   0.993  -1.023
  322   2HH2  ARG  38          2HH2      ARG  38  -0.299  -0.550  -0.243
  323    H    VAL  39           H        VAL  39  -1.079   3.576   6.575
  324    HA   VAL  39           HA       VAL  39  -3.244   5.259   7.001
  325    HB   VAL  39           HB       VAL  39  -2.174   4.161   8.853
  326   1HG1  VAL  39          1HG1      VAL  39   0.108   4.309   7.800
  327   2HG1  VAL  39          3HG1      VAL  39   0.218   5.939   8.470
  328   3HG1  VAL  39          2HG1      VAL  39   0.048   4.552   9.548
  329   1HG2  VAL  39          3HG2      VAL  39  -3.323   6.256   9.365
  330   2HG2  VAL  39          2HG2      VAL  39  -1.946   6.006  10.439
  331   3HG2  VAL  39          1HG2      VAL  39  -1.824   7.148   9.101
  332    H    GLY  40           H        GLY  40  -3.448   7.516   7.251
  333   1HA   GLY  40           HA3      GLY  40  -1.286   9.318   6.799
  334   2HA   GLY  40           HA2      GLY  40  -2.995   9.737   6.821
  335    H    PHE  41           H        PHE  41  -2.449   7.211   4.735
  336    HA   PHE  41           HA       PHE  41  -2.264   8.997   2.406
  337   1HB   PHE  41           HB2      PHE  41  -1.269   6.172   2.731
  338   2HB   PHE  41           HB3      PHE  41  -1.281   7.039   1.208
  339    HD1  PHE  41           HD1      PHE  41   1.110   5.838   2.773
  340    HD2  PHE  41           HD2      PHE  41  -0.547   9.748   2.506
  341    HE1  PHE  41           HE1      PHE  41   3.309   6.801   3.314
  342    HE2  PHE  41           HE2      PHE  41   1.652  10.721   3.042
  343    HZ   PHE  41           HZ       PHE  41   3.582   9.245   3.448
  344    H    VAL  42           H        VAL  42  -4.605   8.276   3.860
  345    HA   VAL  42           HA       VAL  42  -6.030   6.470   2.053
  346    HB   VAL  42           HB       VAL  42  -7.118   7.808   4.533
  347   1HG1  VAL  42          1HG1      VAL  42  -8.720   6.831   2.896
  348   2HG1  VAL  42          3HG1      VAL  42  -7.950   5.265   3.147
  349   3HG1  VAL  42          2HG1      VAL  42  -8.768   6.070   4.486
  350   1HG2  VAL  42          3HG2      VAL  42  -4.979   6.392   4.811
  351   2HG2  VAL  42          2HG2      VAL  42  -6.354   6.075   5.866
  352   3HG2  VAL  42          1HG2      VAL  42  -6.037   5.020   4.489
  353    H    GLY  43           H        GLY  43  -6.137   7.786   0.233
  354   1HA   GLY  43           HA3      GLY  43  -7.977  10.084   0.459
  355   2HA   GLY  43           HA2      GLY  43  -7.779   9.089  -0.980
  356    H    LYS  44           H        LYS  44  -4.815   9.248   0.077
  357    HA   LYS  44           HA       LYS  44  -3.873  11.859  -0.405
  358   1HB   LYS  44           HB2      LYS  44  -1.656  10.627  -0.599
  359   2HB   LYS  44           HB3      LYS  44  -2.541  10.364   0.896
  360   1HG   LYS  44           HG2      LYS  44  -1.706   8.281   0.233
  361   2HG   LYS  44           HG3      LYS  44  -3.434   8.259  -0.098
  362   1HD   LYS  44           HD2      LYS  44  -1.801   9.162  -2.336
  363   2HD   LYS  44           HD3      LYS  44  -1.472   7.508  -1.830
  364   1HE   LYS  44           HE2      LYS  44  -4.199   8.611  -2.499
  365   2HE   LYS  44           HE3      LYS  44  -3.207   7.639  -3.582
  366   1HZ   LYS  44           HZ1      LYS  44  -4.115   6.706  -0.918
  367   2HZ   LYS  44           HZ3      LYS  44  -4.954   6.391  -2.354
  368   3HZ   LYS  44           HZ2      LYS  44  -3.390   5.786  -2.138
  369    H    ASP  45           H        ASP  45  -1.706  11.454  -2.110
  370    HA   ASP  45           HA       ASP  45  -2.995  11.228  -4.730
  371   1HB   ASP  45           HB2      ASP  45  -0.565  12.726  -3.750
  372   2HB   ASP  45           HB3      ASP  45  -0.887  12.482  -5.457
  373    H    VAL  46           H        VAL  46  -0.185  10.335  -2.815
  374    HA   VAL  46           HA       VAL  46   0.097   7.842  -4.260
  375    HB   VAL  46           HB       VAL  46   2.088  10.048  -4.446
  376   1HG1  VAL  46          1HG1      VAL  46   2.832   7.128  -4.293
  377   2HG1  VAL  46          3HG1      VAL  46   3.888   8.396  -4.917
  378   3HG1  VAL  46          2HG1      VAL  46   3.380   8.423  -3.228
  379   1HG2  VAL  46          3HG2      VAL  46   0.690   9.451  -6.343
  380   2HG2  VAL  46          2HG2      VAL  46   2.387   9.105  -6.681
  381   3HG2  VAL  46          1HG2      VAL  46   1.283   7.792  -6.267
  382    H    LEU  47           H        LEU  47   0.240   6.360  -2.766
  383    HA   LEU  47           HA       LEU  47   0.673   6.763  -0.051
  384   1HB   LEU  47           HB2      LEU  47   1.415   4.218  -1.472
  385   2HB   LEU  47           HB3      LEU  47   0.760   4.403   0.144
  386    HG   LEU  47           HG       LEU  47  -0.766   4.977  -2.403
  387   1HD1  LEU  47          1HD1      LEU  47  -0.227   2.607  -2.204
  388   2HD1  LEU  47          3HD1      LEU  47  -0.926   2.583  -0.585
  389   3HD1  LEU  47          2HD1      LEU  47  -1.952   2.905  -1.984
  390   1HD2  LEU  47          2HD2      LEU  47  -1.548   6.247  -0.464
  391   2HD2  LEU  47          1HD2      LEU  47  -2.719   5.013  -0.930
  392   3HD2  LEU  47          3HD2      LEU  47  -1.674   4.756   0.467
  393    H    SER  48           H        SER  48   2.873   5.275  -2.371
  394    HA   SER  48           HA       SER  48   5.188   5.086  -0.974
  395   1HB   SER  48           HB2      SER  48   5.312   4.261  -3.141
  396   2HB   SER  48           HB3      SER  48   4.644   5.726  -3.852
  397    HG   SER  48           HG       SER  48   7.163   5.683  -2.573
  398    H    ASP  49           H        ASP  49   7.218   6.395  -1.233
  399    HA   ASP  49           HA       ASP  49   6.937   9.250  -1.516
  400   1HB   ASP  49           HB2      ASP  49   7.465   8.024   1.192
  401   2HB   ASP  49           HB3      ASP  49   7.881   9.692   0.795
  402    H    GLU  50           H        GLU  50   9.220   9.931  -0.015
  403    HA   GLU  50           HA       GLU  50  11.272   9.224  -1.868
  404   1HB   GLU  50           HB2      GLU  50  12.570  10.846  -0.766
  405   2HB   GLU  50           HB3      GLU  50  10.916  11.436  -0.634
  406   1HG   GLU  50           HG2      GLU  50  10.775  10.581   1.638
  407   2HG   GLU  50           HG3      GLU  50  12.431   9.986   1.520
  408    H    ILE  51           H        ILE  51  10.317   8.194   1.320
  409    HA   ILE  51           HA       ILE  51  12.765   6.793   1.896
  410    HB   ILE  51           HB       ILE  51  10.109   6.422   3.269
  411   1HG1  ILE  51          2HG1      ILE  51  10.709   8.835   3.108
  412   2HG1  ILE  51          3HG1      ILE  51  10.677   8.228   4.758
  413   1HG2  ILE  51          2HG2      ILE  51  12.956   6.069   4.197
  414   2HG2  ILE  51          1HG2      ILE  51  11.523   5.878   5.208
  415   3HG2  ILE  51          3HG2      ILE  51  11.795   4.787   3.850
  416   1HD1  ILE  51          2HD1      ILE  51  13.159   8.629   3.104
  417   2HD1  ILE  51          1HD1      ILE  51  12.562   9.734   4.343
  418   3HD1  ILE  51          3HD1      ILE  51  13.095   8.114   4.790
  419    H    LEU  52           H        LEU  52   9.466   5.499   1.902
  420    HA   LEU  52           HA       LEU  52  10.498   3.035   0.674
  421   1HB   LEU  52           HB2      LEU  52   8.174   3.635   2.467
  422   2HB   LEU  52           HB3      LEU  52   8.162   2.194   1.472
  423    HG   LEU  52           HG       LEU  52  10.431   2.778   3.351
  424   1HD1  LEU  52          1HD1      LEU  52   8.385   2.825   4.671
  425   2HD1  LEU  52          3HD1      LEU  52   7.892   1.281   3.975
  426   3HD1  LEU  52          2HD1      LEU  52   9.321   1.368   5.006
  427   1HD2  LEU  52          3HD2      LEU  52  10.709   1.073   1.573
  428   2HD2  LEU  52          2HD2      LEU  52  10.827   0.418   3.205
  429   3HD2  LEU  52          1HD2      LEU  52   9.353   0.186   2.266
  430    H    GLU  53           H        GLU  53  10.259   3.056  -1.496
  431    HA   GLU  53           HA       GLU  53   8.216   4.474  -2.855
  432   1HB   GLU  53           HB2      GLU  53  10.428   2.694  -3.556
  433   2HB   GLU  53           HB3      GLU  53   9.036   2.504  -4.611
  434   1HG   GLU  53           HG2      GLU  53   9.851   5.268  -4.061
  435   2HG   GLU  53           HG3      GLU  53  10.993   4.296  -4.986
  436    H    VAL  54           H        VAL  54   6.380   3.673  -1.553
  437    HA   VAL  54           HA       VAL  54   5.602   0.919  -1.914
  438    HB   VAL  54           HB       VAL  54   3.687   2.935  -0.854
  439   1HG1  VAL  54          2HG1      VAL  54   4.396   0.088  -0.174
  440   2HG1  VAL  54          1HG1      VAL  54   3.155   1.038   0.640
  441   3HG1  VAL  54          3HG1      VAL  54   2.984   0.649  -1.072
  442   1HG2  VAL  54          2HG2      VAL  54   6.148   1.982   0.593
  443   2HG2  VAL  54          1HG2      VAL  54   5.656   3.644   0.276
  444   3HG2  VAL  54          3HG2      VAL  54   4.732   2.653   1.403
  445    H    VAL  55           H        VAL  55   5.275   0.656  -4.099
  446    HA   VAL  55           HA       VAL  55   3.253   2.278  -5.421
  447    HB   VAL  55           HB       VAL  55   4.773  -0.075  -6.528
  448   1HG1  VAL  55          3HG1      VAL  55   2.723   0.577  -7.727
  449   2HG1  VAL  55          2HG1      VAL  55   3.368   2.207  -7.916
  450   3HG1  VAL  55          1HG1      VAL  55   4.174   0.845  -8.695
  451   1HG2  VAL  55          3HG2      VAL  55   6.356   1.632  -5.779
  452   2HG2  VAL  55          2HG2      VAL  55   6.307   1.559  -7.541
  453   3HG2  VAL  55          1HG2      VAL  55   5.477   2.861  -6.688
  454    H    CYS  56           H        CYS  56   1.316   1.668  -4.517
  455    HA   CYS  56           HA       CYS  56   0.661  -1.196  -4.679
  456   1HB   CYS  56           HB2      CYS  56   0.554  -0.413  -2.406
  457   2HB   CYS  56           HB3      CYS  56  -0.468   0.938  -2.877
  458    HG   CYS  56           HG       CYS  56  -2.616  -0.757  -3.651
  459    H    LYS  57           H        LYS  57  -1.290  -1.864  -5.467
  460    HA   LYS  57           HA       LYS  57  -2.872   0.134  -6.928
  461   1HB   LYS  57           HB2      LYS  57  -2.443  -2.681  -7.888
  462   2HB   LYS  57           HB3      LYS  57  -3.100  -1.321  -8.782
  463   1HG   LYS  57           HG2      LYS  57  -0.920  -0.254  -8.815
  464   2HG   LYS  57           HG3      LYS  57  -0.243  -1.581  -7.866
  465   1HD   LYS  57           HD2      LYS  57  -0.788  -3.144  -9.674
  466   2HD   LYS  57           HD3      LYS  57  -1.447  -1.810 -10.624
  467   1HE   LYS  57           HE2      LYS  57   0.742  -0.737 -10.654
  468   2HE   LYS  57           HE3      LYS  57   1.406  -2.044  -9.676
  469   1HZ   LYS  57           HZ2      LYS  57   0.270  -2.338 -12.403
  470   2HZ   LYS  57           HZ1      LYS  57   1.915  -2.344 -12.016
  471   3HZ   LYS  57           HZ3      LYS  57   0.912  -3.590 -11.464
  472    H    TYR  58           H        TYR  58  -4.737   0.252  -5.911
  473    HA   TYR  58           HA       TYR  58  -5.818  -1.997  -4.455
  474   1HB   TYR  58           HB2      TYR  58  -5.948   0.383  -3.616
  475   2HB   TYR  58           HB3      TYR  58  -7.086   0.716  -4.918
  476    HD1  TYR  58           HD1      TYR  58  -7.191   0.652  -1.667
  477    HD2  TYR  58           HD2      TYR  58  -8.764  -1.746  -4.833
  478    HE1  TYR  58           HE1      TYR  58  -9.069  -0.050  -0.236
  479    HE2  TYR  58           HE2      TYR  58 -10.613  -2.465  -3.401
  480    HH   TYR  58           HH       TYR  58 -11.351  -0.916  -0.466
  481    H    THR  59           H        THR  59  -6.599  -3.556  -5.734
  482    HA   THR  59           HA       THR  59  -8.328  -2.819  -7.993
  483    HB   THR  59           HB       THR  59  -7.098  -5.514  -7.378
  484    HG1  THR  59           HG1      THR  59  -5.436  -4.924  -8.626
  485   1HG2  THR  59          1HG2      THR  59  -8.438  -4.441  -9.865
  486   2HG2  THR  59          3HG2      THR  59  -7.672  -6.022  -9.712
  487   3HG2  THR  59          2HG2      THR  59  -9.107  -5.642  -8.761
  488    HA   PRO  60           HA       PRO  60 -11.572  -4.542  -5.399
  489   1HB   PRO  60           HB2      PRO  60 -13.543  -2.989  -6.278
  490   2HB   PRO  60           HB3      PRO  60 -12.240  -2.314  -5.298
  491   1HG   PRO  60           HG2      PRO  60 -12.760  -2.043  -8.204
  492   2HG   PRO  60           HG3      PRO  60 -11.929  -0.933  -7.102
  493   1HD   PRO  60           HD2      PRO  60 -10.771  -2.861  -8.877
  494   2HD   PRO  60           HD3      PRO  60  -9.937  -1.761  -7.763
  495    H    THR  61           H        THR  61 -10.810  -5.245  -8.418
  496    HA   THR  61           HA       THR  61 -13.196  -5.992  -9.699
  497    HB   THR  61           HB       THR  61 -10.599  -7.470 -10.050
  498    HG1  THR  61           HG1      THR  61 -11.131  -5.211 -11.603
  499   1HG2  THR  61          1HG2      THR  61 -12.525  -8.320 -11.291
  500   2HG2  THR  61          3HG2      THR  61 -12.791  -6.718 -11.982
  501   3HG2  THR  61          2HG2      THR  61 -11.328  -7.618 -12.381
  502    HA   PRO  62           HA       PRO  62 -14.657  -9.412  -7.278
  503   1HB   PRO  62           HB2      PRO  62 -15.737 -10.872  -9.391
  504   2HB   PRO  62           HB3      PRO  62 -16.568  -9.602  -8.489
  505   1HG   PRO  62           HG2      PRO  62 -15.161  -9.453 -11.119
  506   2HG   PRO  62           HG3      PRO  62 -16.656  -8.654 -10.596
  507   1HD   PRO  62           HD2      PRO  62 -14.343  -7.313 -10.732
  508   2HD   PRO  62           HD3      PRO  62 -15.509  -7.003  -9.427
  509    H    SER  63           H        SER  63 -14.166 -11.569  -6.833
  510    HA   SER  63           HA       SER  63 -11.618 -12.456  -7.758
  511   1HB   SER  63           HB2      SER  63 -13.674 -13.866  -6.037
  512   2HB   SER  63           HB3      SER  63 -12.008 -14.395  -6.273
  513    HG   SER  63           HG       SER  63 -12.841 -11.941  -5.117
  514    H    SER  64           H        SER  64 -11.672 -15.104  -8.066
  515    HA   SER  64           HA       SER  64 -12.523 -15.453 -10.729
  516   1HB   SER  64           HB2      SER  64 -11.722 -17.538  -8.683
  517   2HB   SER  64           HB3      SER  64 -11.855 -17.811 -10.420
  518    HG   SER  64           HG       SER  64  -9.888 -17.115 -10.540
  519    H    THR  65           H        THR  65 -13.880 -16.557  -7.648
  520    HA   THR  65           HA       THR  65 -16.095 -17.870  -8.972
  521    HB   THR  65           HB       THR  65 -16.888 -18.370  -6.681
  522    HG1  THR  65           HG1      THR  65 -14.553 -16.920  -5.916
  523   1HG2  THR  65          3HG2      THR  65 -15.339 -19.906  -7.783
  524   2HG2  THR  65          2HG2      THR  65 -13.969 -18.992  -7.151
  525   3HG2  THR  65          1HG2      THR  65 -15.040 -19.855  -6.046
  526    HA   PRO  66           HA       PRO  66 -18.923 -14.472  -8.766
  527   1HB   PRO  66           HB2      PRO  66 -21.286 -15.733  -8.629
  528   2HB   PRO  66           HB3      PRO  66 -20.266 -15.848 -10.067
  529   1HG   PRO  66           HG2      PRO  66 -20.545 -17.779  -7.786
  530   2HG   PRO  66           HG3      PRO  66 -20.572 -18.111  -9.529
  531   1HD   PRO  66           HD2      PRO  66 -18.357 -18.466  -8.005
  532   2HD   PRO  66           HD3      PRO  66 -18.274 -17.981  -9.712
  533    H    MET  67           H        MET  67 -21.409 -14.471  -7.443
  534    HA   MET  67           HA       MET  67 -22.374 -13.899  -5.468
  535   1HB   MET  67           HB2      MET  67 -20.391 -15.875  -4.328
  536   2HB   MET  67           HB3      MET  67 -21.780 -15.221  -3.472
  537   1HG   MET  67           HG2      MET  67 -21.867 -16.931  -5.947
  538   2HG   MET  67           HG3      MET  67 -22.227 -17.457  -4.303
  539   1HE   MET  67           HE2      MET  67 -24.317 -16.599  -2.900
  540   2HE   MET  67           HE1      MET  67 -23.808 -14.931  -3.163
  541   3HE   MET  67           HE3      MET  67 -25.472 -15.409  -3.499
  542    H    VAL  68           H        VAL  68 -19.735 -12.659  -6.441
  543    HA   VAL  68           HA       VAL  68 -19.198 -11.182  -3.951
  544    HB   VAL  68           HB       VAL  68 -17.128 -11.963  -6.013
  545   1HG1  VAL  68          1HG1      VAL  68 -16.854 -10.395  -3.450
  546   2HG1  VAL  68          3HG1      VAL  68 -15.519 -10.929  -4.470
  547   3HG1  VAL  68          2HG1      VAL  68 -16.686  -9.759  -5.086
  548   1HG2  VAL  68          1HG2      VAL  68 -17.779 -13.840  -4.598
  549   2HG2  VAL  68          3HG2      VAL  68 -16.143 -13.301  -4.216
  550   3HG2  VAL  68          2HG2      VAL  68 -17.486 -12.868  -3.157
  551    H    GLY  69           H        GLY  69 -20.010  -9.210  -4.247
  552   1HA   GLY  69           HA3      GLY  69 -20.795  -7.346  -5.407
  553   2HA   GLY  69           HA2      GLY  69 -20.161  -8.034  -6.894
  554    H    VAL  70           H        VAL  70 -18.208  -7.386  -7.637
  555    HA   VAL  70           HA       VAL  70 -16.209  -6.305  -7.777
  556    HB   VAL  70           HB       VAL  70 -17.776  -4.239  -6.235
  557   1HG1  VAL  70          3HG1      VAL  70 -15.284  -3.945  -7.914
  558   2HG1  VAL  70          2HG1      VAL  70 -16.229  -2.610  -7.255
  559   3HG1  VAL  70          1HG1      VAL  70 -15.405  -3.727  -6.168
  560   1HG2  VAL  70          2HG2      VAL  70 -17.423  -4.643  -9.200
  561   2HG2  VAL  70          1HG2      VAL  70 -18.898  -4.920  -8.276
  562   3HG2  VAL  70          3HG2      VAL  70 -18.258  -3.286  -8.444
  563    H    GLY  71           H        GLY  71 -15.053  -7.797  -6.453
  564   1HA   GLY  71           HA3      GLY  71 -14.693  -8.165  -3.887
  565   2HA   GLY  71           HA2      GLY  71 -14.034  -6.543  -4.015
  566    H    GLY  72           H        GLY  72 -11.938  -6.349  -4.480
  567   1HA   GLY  72           HA3      GLY  72 -10.083  -7.010  -5.947
  568   2HA   GLY  72           HA2      GLY  72 -10.572  -8.673  -5.689
  569    H    ILE  73           H        ILE  73  -8.231  -6.607  -4.972
  570    HA   ILE  73           HA       ILE  73  -7.905  -7.257  -2.169
  571    HB   ILE  73           HB       ILE  73  -5.618  -8.163  -2.548
  572   1HG1  ILE  73          2HG1      ILE  73  -6.415  -8.872  -5.333
  573   2HG1  ILE  73          3HG1      ILE  73  -5.652  -7.315  -5.008
  574   1HG2  ILE  73          2HG2      ILE  73  -7.565  -9.579  -2.005
  575   2HG2  ILE  73          1HG2      ILE  73  -7.759  -9.894  -3.729
  576   3HG2  ILE  73          3HG2      ILE  73  -6.291 -10.412  -2.896
  577   1HD1  ILE  73          1HD1      ILE  73  -3.748  -8.469  -3.994
  578   2HD1  ILE  73          3HD1      ILE  73  -4.508 -10.021  -4.348
  579   3HD1  ILE  73          2HD1      ILE  73  -4.002  -8.965  -5.670
  580    H    TYR  74           H        TYR  74  -5.222  -6.682  -1.930
  581    HA   TYR  74           HA       TYR  74  -4.927  -3.982  -3.038
  582   1HB   TYR  74           HB2      TYR  74  -4.066  -4.543  -0.228
  583   2HB   TYR  74           HB3      TYR  74  -4.560  -3.020  -0.961
  584    HD1  TYR  74           HD1      TYR  74  -6.842  -2.320  -0.930
  585    HD2  TYR  74           HD2      TYR  74  -5.804  -6.207   0.440
  586    HE1  TYR  74           HE1      TYR  74  -9.090  -2.592   0.031
  587    HE2  TYR  74           HE2      TYR  74  -8.044  -6.480   1.393
  588    HH   TYR  74           HH       TYR  74  -9.893  -5.073   2.185
  589    H    VAL  75           H        VAL  75  -3.283  -4.464  -4.444
  590    HA   VAL  75           HA       VAL  75  -1.057  -6.124  -3.613
  591    HB   VAL  75           HB       VAL  75  -1.569  -4.648  -6.200
  592   1HG1  VAL  75          1HG1      VAL  75   0.653  -6.550  -5.463
  593   2HG1  VAL  75          3HG1      VAL  75   0.307  -5.983  -7.097
  594   3HG1  VAL  75          2HG1      VAL  75   0.817  -4.839  -5.856
  595   1HG2  VAL  75          1HG2      VAL  75  -3.087  -6.518  -5.786
  596   2HG2  VAL  75          3HG2      VAL  75  -1.981  -6.872  -7.114
  597   3HG2  VAL  75          2HG2      VAL  75  -1.706  -7.583  -5.524
  598    H    VAL  76           H        VAL  76   0.269  -5.172  -2.202
  599    HA   VAL  76           HA       VAL  76   1.071  -2.384  -2.655
  600    HB   VAL  76           HB       VAL  76   1.585  -4.097  -0.225
  601   1HG1  VAL  76          3HG1      VAL  76   1.808  -1.124  -0.668
  602   2HG1  VAL  76          2HG1      VAL  76   2.031  -1.949   0.874
  603   3HG1  VAL  76          1HG1      VAL  76   3.144  -2.255  -0.459
  604   1HG2  VAL  76          2HG2      VAL  76  -0.814  -3.802  -0.570
  605   2HG2  VAL  76          1HG2      VAL  76  -0.256  -2.889   0.833
  606   3HG2  VAL  76          3HG2      VAL  76  -0.588  -2.057  -0.685
  607    H    LEU  77           H        LEU  77   2.988  -1.942  -3.550
  608    HA   LEU  77           HA       LEU  77   5.128  -3.956  -3.362
  609   1HB   LEU  77           HB2      LEU  77   4.630  -1.830  -5.443
  610   2HB   LEU  77           HB3      LEU  77   6.089  -2.796  -5.371
  611    HG   LEU  77           HG       LEU  77   3.277  -3.786  -5.894
  612   1HD1  LEU  77          3HD1      LEU  77   4.311  -2.670  -7.793
  613   2HD1  LEU  77          2HD1      LEU  77   5.734  -3.702  -7.639
  614   3HD1  LEU  77          1HD1      LEU  77   4.177  -4.405  -8.079
  615   1HD2  LEU  77          3HD2      LEU  77   4.900  -5.273  -4.504
  616   2HD2  LEU  77          2HD2      LEU  77   4.015  -5.970  -5.863
  617   3HD2  LEU  77          1HD2      LEU  77   5.706  -5.513  -6.053
  618    H    VAL  78           H        VAL  78   6.091  -3.299  -1.482
  619    HA   VAL  78           HA       VAL  78   6.769  -0.469  -1.197
  620    HB   VAL  78           HB       VAL  78   7.702  -2.321   0.896
  621   1HG1  VAL  78          3HG1      VAL  78   7.780   0.169   1.024
  622   2HG1  VAL  78          2HG1      VAL  78   6.012   0.186   1.016
  623   3HG1  VAL  78          1HG1      VAL  78   6.884  -0.577   2.349
  624   1HG2  VAL  78          1HG2      VAL  78   4.771  -1.963   0.292
  625   2HG2  VAL  78          3HG2      VAL  78   5.666  -3.476   0.422
  626   3HG2  VAL  78          2HG2      VAL  78   5.387  -2.490   1.856
  627    H    LYS  79           H        LYS  79   8.502   0.147  -2.252
  628    HA   LYS  79           HA       LYS  79  10.864  -1.602  -2.314
  629   1HB   LYS  79           HB2      LYS  79   9.760   0.439  -4.195
  630   2HB   LYS  79           HB3      LYS  79  11.495   0.153  -4.182
  631   1HG   LYS  79           HG2      LYS  79  11.103  -2.217  -4.642
  632   2HG   LYS  79           HG3      LYS  79   9.355  -1.916  -4.686
  633   1HD   LYS  79           HD2      LYS  79  11.379  -0.602  -6.503
  634   2HD   LYS  79           HD3      LYS  79  10.403  -2.007  -6.937
  635   1HE   LYS  79           HE2      LYS  79   8.364  -0.693  -6.585
  636   2HE   LYS  79           HE3      LYS  79   9.346   0.711  -6.169
  637   1HZ   LYS  79           HZ2      LYS  79   9.349  -0.679  -8.792
  638   2HZ   LYS  79           HZ1      LYS  79   8.603   0.802  -8.462
  639   3HZ   LYS  79           HZ3      LYS  79  10.288   0.669  -8.392
  640    HA   PRO  80           HA       PRO  80  12.208   1.552   0.748
  641   1HB   PRO  80           HB2      PRO  80  14.592   0.141   1.165
  642   2HB   PRO  80           HB3      PRO  80  13.137   0.057   2.158
  643   1HG   PRO  80           HG2      PRO  80  14.090  -1.788   0.032
  644   2HG   PRO  80           HG3      PRO  80  13.177  -2.145   1.509
  645   1HD   PRO  80           HD2      PRO  80  12.014  -2.129  -0.922
  646   2HD   PRO  80           HD3      PRO  80  11.150  -1.600   0.539
  647    H    ARG  81           H        ARG  81  12.669   3.246  -0.544
  648    HA   ARG  81           HA       ARG  81  14.519   3.250  -2.665
  649   1HB   ARG  81           HB2      ARG  81  12.804   5.163  -1.324
  650   2HB   ARG  81           HB3      ARG  81  14.350   5.881  -1.756
  651   1HG   ARG  81           HG2      ARG  81  14.038   5.345  -4.060
  652   2HG   ARG  81           HG3      ARG  81  12.599   4.388  -3.693
  653   1HD   ARG  81           HD2      ARG  81  11.419   6.358  -2.969
  654   2HD   ARG  81           HD3      ARG  81  12.866   7.346  -3.176
  655    HE   ARG  81           HE       ARG  81  12.221   6.089  -5.614
  656   1HH1  ARG  81          1HH1      ARG  81  11.099   8.613  -3.490
  657   2HH1  ARG  81          2HH1      ARG  81  10.361   9.530  -4.760
  658   1HH2  ARG  81          1HH2      ARG  81  11.251   7.291  -7.292
  659   2HH2  ARG  81          2HH2      ARG  81  10.446   8.779  -6.920
  660    H    LYS  82           H        LYS  82  14.799   4.315   0.705
  661    HA   LYS  82           HA       LYS  82  17.685   4.696   0.297
  662   1HB   LYS  82           HB2      LYS  82  16.008   5.655   2.620
  663   2HB   LYS  82           HB3      LYS  82  17.667   6.106   2.254
  664   1HG   LYS  82           HG2      LYS  82  16.912   7.223   0.215
  665   2HG   LYS  82           HG3      LYS  82  15.247   6.775   0.591
  666   1HD   LYS  82           HD2      LYS  82  15.420   8.046   2.704
  667   2HD   LYS  82           HD3      LYS  82  17.043   8.557   2.233
  668   1HE   LYS  82           HE2      LYS  82  14.495   9.137   0.724
  669   2HE   LYS  82           HE3      LYS  82  15.385  10.280   1.730
  670   1HZ   LYS  82           HZ1      LYS  82  17.270  10.076   0.232
  671   2HZ   LYS  82           HZ3      LYS  82  16.415   8.979  -0.733
  672   3HZ   LYS  82           HZ2      LYS  82  15.893  10.584  -0.608
  673    H    ARG  83           H        ARG  83  18.958   4.260   2.416
  674    HA   ARG  83           HA       ARG  83  18.171   1.588   3.366
  675   1HB   ARG  83           HB2      ARG  83  20.942   2.777   3.400
  676   2HB   ARG  83           HB3      ARG  83  20.495   1.099   3.669
  677   1HG   ARG  83           HG2      ARG  83  19.874   0.827   1.375
  678   2HG   ARG  83           HG3      ARG  83  20.091   2.550   1.065
  679   1HD   ARG  83           HD2      ARG  83  21.995   1.312   0.231
  680   2HD   ARG  83           HD3      ARG  83  22.480   2.326   1.589
  681    HE   ARG  83           HE       ARG  83  21.848  -0.183   2.607
  682   1HH1  ARG  83          1HH1      ARG  83  24.194   1.248   0.466
  683   2HH1  ARG  83          2HH1      ARG  83  25.428   0.090   0.833
  684   1HH2  ARG  83          1HH2      ARG  83  23.467  -1.715   3.097
  685   2HH2  ARG  83          2HH2      ARG  83  25.014  -1.595   2.328
  686    H    GLY  84           H        GLY  84  18.190   1.112   5.538
  687   1HA   GLY  84           HA3      GLY  84  18.342   3.452   7.319
  688   2HA   GLY  84           HA2      GLY  84  19.211   1.983   7.736
  689    H    HIS  85           H        HIS  85  17.076   3.346   9.198
  690    HA   HIS  85           HA       HIS  85  15.393   1.017   9.610
  691   1HB   HIS  85           HB2      HIS  85  15.559   3.627  11.128
  692   2HB   HIS  85           HB3      HIS  85  14.583   2.240  11.600
  693    HD1  HIS  85           HD1      HIS  85  17.965   3.635  11.845
  694    HD2  HIS  85           HD2      HIS  85  16.145  -0.061  12.388
  695    HE1  HIS  85           HE1      HIS  85  19.621   2.254  13.139
  696    HE2  HIS  85           HE2      HIS  85  18.463   0.051  13.530
  697    H    HIS  86           H        HIS  86  13.999   0.982   7.878
  698    HA   HIS  86           HA       HIS  86  12.193   3.287   7.583
  699   1HB   HIS  86           HB2      HIS  86  12.788   1.034   5.648
  700   2HB   HIS  86           HB3      HIS  86  11.631   2.333   5.365
  701    HD1  HIS  86           HD1      HIS  86  14.439   3.790   7.026
  702    HD2  HIS  86           HD2      HIS  86  13.605   2.637   3.123
  703    HE1  HIS  86           HE1      HIS  86  16.098   5.022   5.593
  704    HE2  HIS  86           HE2      HIS  86  15.620   4.251   3.243
  705    H    THR  87           H        THR  87   9.915   2.848   7.267
  706    HA   THR  87           HA       THR  87   8.901   0.224   7.861
  707    HB   THR  87           HB       THR  87   8.479   2.421   9.895
  708    HG1  THR  87           HG1      THR  87   9.769  -0.102  10.198
  709   1HG2  THR  87          2HG2      THR  87   6.492   1.004   9.530
  710   2HG2  THR  87          1HG2      THR  87   7.470  -0.425   9.868
  711   3HG2  THR  87          3HG2      THR  87   7.192   0.774  11.132
  712    H    LEU  88           H        LEU  88   6.676   0.021   7.574
  713    HA   LEU  88           HA       LEU  88   5.269   2.383   6.522
  714   1HB   LEU  88           HB2      LEU  88   6.134   0.624   4.811
  715   2HB   LEU  88           HB3      LEU  88   4.839  -0.380   5.428
  716    HG   LEU  88           HG       LEU  88   3.200   1.326   4.759
  717   1HD1  LEU  88          1HD1      LEU  88   5.591   2.754   3.598
  718   2HD1  LEU  88          3HD1      LEU  88   3.902   3.199   3.349
  719   3HD1  LEU  88          2HD1      LEU  88   4.613   3.303   4.959
  720   1HD2  LEU  88          1HD2      LEU  88   4.025  -0.538   3.250
  721   2HD2  LEU  88          3HD2      LEU  88   3.232   0.825   2.463
  722   3HD2  LEU  88          2HD2      LEU  88   4.988   0.693   2.433
  723    H    GLU  89           H        GLU  89   3.067   2.501   7.096
  724    HA   GLU  89           HA       GLU  89   2.179   0.369   8.926
  725   1HB   GLU  89           HB2      GLU  89   1.276   3.190   9.303
  726   2HB   GLU  89           HB3      GLU  89   1.383   1.887  10.477
  727   1HG   GLU  89           HG2      GLU  89   3.833   2.057  10.406
  728   2HG   GLU  89           HG3      GLU  89   3.689   3.398   9.274
  729    H    LEU  90           H        LEU  90   1.000  -0.631   7.249
  730    HA   LEU  90           HA       LEU  90  -1.051   0.784   5.845
  731   1HB   LEU  90           HB2      LEU  90  -0.324  -2.115   6.126
  732   2HB   LEU  90           HB3      LEU  90  -1.802  -1.633   5.319
  733    HG   LEU  90           HG       LEU  90  -0.572  -0.447   3.632
  734   1HD1  LEU  90          1HD1      LEU  90   1.797  -0.983   5.383
  735   2HD1  LEU  90          3HD1      LEU  90   1.971  -0.641   3.663
  736   3HD1  LEU  90          2HD1      LEU  90   1.224   0.553   4.723
  737   1HD2  LEU  90          1HD2      LEU  90  -0.857  -2.863   3.336
  738   2HD2  LEU  90          3HD2      LEU  90   0.621  -2.274   2.577
  739   3HD2  LEU  90          2HD2      LEU  90   0.701  -3.132   4.114
  740    H    VAL  91           H        VAL  91  -3.026   1.256   6.531
  741    HA   VAL  91           HA       VAL  91  -4.082  -0.222   8.858
  742    HB   VAL  91           HB       VAL  91  -3.411   2.106   9.389
  743   1HG1  VAL  91          2HG1      VAL  91  -5.531   2.819   7.364
  744   2HG1  VAL  91          1HG1      VAL  91  -4.809   3.956   8.507
  745   3HG1  VAL  91          3HG1      VAL  91  -3.804   3.183   7.281
  746   1HG2  VAL  91          1HG2      VAL  91  -6.367   1.536   9.535
  747   2HG2  VAL  91          3HG2      VAL  91  -5.139   1.055  10.708
  748   3HG2  VAL  91          2HG2      VAL  91  -5.521   2.762  10.480
  749    H    TYR  92           H        TYR  92  -6.391  -0.404   9.006
  750    HA   TYR  92           HA       TYR  92  -7.722  -0.474   6.387
  751   1HB   TYR  92           HB2      TYR  92  -7.499  -2.519   7.991
  752   2HB   TYR  92           HB3      TYR  92  -8.787  -1.738   8.899
  753    HD1  TYR  92           HD1      TYR  92 -10.643  -3.103   8.604
  754    HD2  TYR  92           HD2      TYR  92  -8.327  -2.006   5.209
  755    HE1  TYR  92           HE1      TYR  92 -12.306  -4.162   7.135
  756    HE2  TYR  92           HE2      TYR  92  -9.985  -3.057   3.731
  757    HH   TYR  92           HH       TYR  92 -11.720  -4.792   3.854
  758    H    THR  93           H        THR  93  -8.512   1.599   6.145
  759    HA   THR  93           HA       THR  93 -10.355   2.570   8.244
  760    HB   THR  93           HB       THR  93  -8.417   3.967   8.282
  761    HG1  THR  93           HG1      THR  93  -9.525   5.931   7.140
  762   1HG2  THR  93          2HG2      THR  93  -8.674   3.756   5.329
  763   2HG2  THR  93          1HG2      THR  93  -8.035   5.262   5.995
  764   3HG2  THR  93          3HG2      THR  93  -7.230   3.732   6.345
  765    H    ARG  94           H        ARG  94 -11.872   4.279   7.416
  766    HA   ARG  94           HA       ARG  94 -12.977   3.431   4.834
  767   1HB   ARG  94           HB2      ARG  94 -14.261   5.045   7.047
  768   2HB   ARG  94           HB3      ARG  94 -15.061   4.481   5.587
  769   1HG   ARG  94           HG2      ARG  94 -14.687   2.161   6.294
  770   2HG   ARG  94           HG3      ARG  94 -13.929   2.750   7.773
  771   1HD   ARG  94           HD2      ARG  94 -16.250   2.128   8.171
  772   2HD   ARG  94           HD3      ARG  94 -16.009   3.859   8.406
  773    HE   ARG  94           HE       ARG  94 -16.833   3.421   5.765
  774   1HH1  ARG  94          1HH1      ARG  94 -18.075   3.205   9.013
  775   2HH1  ARG  94          2HH1      ARG  94 -19.714   3.510   8.544
  776   1HH2  ARG  94          1HH2      ARG  94 -18.988   3.824   5.139
  777   2HH2  ARG  94          2HH2      ARG  94 -20.233   3.861   6.341
  778    HA   PRO  95           HA       PRO  95 -10.784   7.242   3.442
  779   1HB   PRO  95           HB2      PRO  95 -12.265   6.264   1.034
  780   2HB   PRO  95           HB3      PRO  95 -10.624   6.901   1.158
  781   1HG   PRO  95           HG2      PRO  95 -11.067   4.277   0.955
  782   2HG   PRO  95           HG3      PRO  95  -9.778   4.913   1.989
  783   1HD   PRO  95           HD2      PRO  95 -12.384   3.722   2.739
  784   2HD   PRO  95           HD3      PRO  95 -10.857   3.767   3.637
  785    H    PHE  96           H        PHE  96 -14.147   6.297   3.137
  786    HA   PHE  96           HA       PHE  96 -15.127   8.793   2.238
  787   1HB   PHE  96           HB2      PHE  96 -16.498   6.466   3.591
  788   2HB   PHE  96           HB3      PHE  96 -17.320   7.817   2.837
  789    HD1  PHE  96           HD1      PHE  96 -17.737   7.857   0.527
  790    HD2  PHE  96           HD2      PHE  96 -15.068   4.972   2.160
  791    HE1  PHE  96           HE1      PHE  96 -17.680   6.689  -1.638
  792    HE2  PHE  96           HE2      PHE  96 -15.004   3.799   0.000
  793    HZ   PHE  96           HZ       PHE  96 -16.312   4.657  -1.904
  794    H    GLU  97           H        GLU  97 -14.995   7.224   5.429
  795    HA   GLU  97           HA       GLU  97 -16.006   9.650   6.696
  796   1HB   GLU  97           HB2      GLU  97 -15.314   6.943   7.853
  797   2HB   GLU  97           HB3      GLU  97 -15.981   8.284   8.774
  798   1HG   GLU  97           HG2      GLU  97 -17.323   6.880   6.472
  799   2HG   GLU  97           HG3      GLU  97 -17.693   6.659   8.182
  800    H    GLY  98           H        GLY  98 -13.352   7.412   7.493
  801   1HA   GLY  98           HA3      GLY  98 -11.890   9.523   8.815
  802   2HA   GLY  98           HA2      GLY  98 -11.156   8.995   7.306
  803    H    ILE  99           H        ILE  99  -9.446   8.566   9.004
  804    HA   ILE  99           HA       ILE  99  -9.491   5.719   9.512
  805    HB   ILE  99           HB       ILE  99  -7.210   7.513  10.231
  806   1HG1  ILE  99          2HG1      ILE  99  -7.620   6.394   7.460
  807   2HG1  ILE  99          3HG1      ILE  99  -8.152   8.021   7.888
  808   1HG2  ILE  99          3HG2      ILE  99  -7.713   4.659   9.837
  809   2HG2  ILE  99          2HG2      ILE  99  -6.264   5.243   9.013
  810   3HG2  ILE  99          1HG2      ILE  99  -6.441   5.469  10.755
  811   1HD1  ILE  99          2HD1      ILE  99  -5.324   6.985   8.044
  812   2HD1  ILE  99          1HD1      ILE  99  -5.978   8.039   6.788
  813   3HD1  ILE  99          3HD1      ILE  99  -5.854   8.618   8.451
  814    H    LYS 100           H        LYS 100  -9.442   4.731  11.461
  815    HA   LYS 100           HA       LYS 100  -9.627   6.443  13.848
  816   1HB   LYS 100           HB2      LYS 100 -11.177   3.967  13.993
  817   2HB   LYS 100           HB3      LYS 100 -11.633   5.607  14.433
  818   1HG   LYS 100           HG2      LYS 100 -11.922   6.059  11.972
  819   2HG   LYS 100           HG3      LYS 100 -11.763   4.319  11.725
  820   1HD   LYS 100           HD2      LYS 100 -14.040   4.500  11.887
  821   2HD   LYS 100           HD3      LYS 100 -13.629   4.223  13.581
  822   1HE   LYS 100           HE2      LYS 100 -14.061   6.922  12.305
  823   2HE   LYS 100           HE3      LYS 100 -15.242   6.060  13.291
  824   1HZ   LYS 100           HZ1      LYS 100 -13.692   6.158  15.153
  825   2HZ   LYS 100           HZ3      LYS 100 -12.581   7.013  14.205
  826   3HZ   LYS 100           HZ2      LYS 100 -14.073   7.709  14.593
  827    HA   PRO 101           HA       PRO 101  -6.752   3.747  15.817
  828   1HB   PRO 101           HB2      PRO 101  -8.325   3.648  18.280
  829   2HB   PRO 101           HB3      PRO 101  -6.789   4.451  17.974
  830   1HG   PRO 101           HG2      PRO 101  -9.077   5.820  18.374
  831   2HG   PRO 101           HG3      PRO 101  -7.797   6.399  17.299
  832   1HD   PRO 101           HD2      PRO 101 -10.360   5.012  16.609
  833   2HD   PRO 101           HD3      PRO 101  -9.598   6.413  15.824
  834    H    GLU 102           H        GLU 102 -10.130   2.859  16.291
  835    HA   GLU 102           HA       GLU 102  -9.589   0.156  17.039
  836   1HB   GLU 102           HB2      GLU 102 -12.018  -0.161  16.778
  837   2HB   GLU 102           HB3      GLU 102 -11.626   1.240  17.770
  838   1HG   GLU 102           HG2      GLU 102 -12.011   2.702  15.884
  839   2HG   GLU 102           HG3      GLU 102 -12.354   1.312  14.861
  840    H    ASN 103           H        ASN 103  -8.795   1.457  14.302
  841    HA   ASN 103           HA       ASN 103 -10.047  -0.381  12.441
  842   1HB   ASN 103           HB2      ASN 103  -8.098   1.892  12.156
  843   2HB   ASN 103           HB3      ASN 103  -8.479   0.828  10.807
  844   1HD2  ASN 103          1HD2      ASN 103 -10.876   1.573  13.194
  845   2HD2  ASN 103          2HD2      ASN 103 -11.836   2.612  12.206
  846    H    GLU 104           H        GLU 104  -8.928  -1.905  11.180
  847    HA   GLU 104           HA       GLU 104  -7.094  -3.519  12.473
  848   1HB   GLU 104           HB2      GLU 104  -8.577  -3.744  10.229
  849   2HB   GLU 104           HB3      GLU 104  -6.992  -3.498   9.513
  850   1HG   GLU 104           HG2      GLU 104  -6.145  -5.453  10.386
  851   2HG   GLU 104           HG3      GLU 104  -7.368  -5.542  11.652
  852    H    ARG 105           H        ARG 105  -4.866  -4.052  11.774
  853    HA   ARG 105           HA       ARG 105  -3.379  -1.687  10.842
  854   1HB   ARG 105           HB2      ARG 105  -3.300  -1.905  13.337
  855   2HB   ARG 105           HB3      ARG 105  -2.533  -3.468  13.132
  856   1HG   ARG 105           HG2      ARG 105  -0.689  -2.157  13.479
  857   2HG   ARG 105           HG3      ARG 105  -0.814  -2.085  11.716
  858   1HD   ARG 105           HD2      ARG 105  -0.466   0.138  12.648
  859   2HD   ARG 105           HD3      ARG 105  -2.041   0.013  11.858
  860    HE   ARG 105           HE       ARG 105  -2.472  -0.604  14.505
  861   1HH1  ARG 105          1HH1      ARG 105  -1.260   2.127  12.708
  862   2HH1  ARG 105          2HH1      ARG 105  -1.810   3.296  13.862
  863   1HH2  ARG 105          1HH2      ARG 105  -3.201   0.931  16.030
  864   2HH2  ARG 105          2HH2      ARG 105  -2.914   2.616  15.750
  865    H    TYR 106           H        TYR 106  -1.195  -2.182  10.119
  866    HA   TYR 106           HA       TYR 106  -0.190  -4.779   9.779
  867   1HB   TYR 106           HB2      TYR 106  -2.039  -4.942   8.137
  868   2HB   TYR 106           HB3      TYR 106  -1.357  -3.572   7.258
  869    HD1  TYR 106           HD1      TYR 106  -0.937  -7.115   8.115
  870    HD2  TYR 106           HD2      TYR 106   0.632  -3.844   5.890
  871    HE1  TYR 106           HE1      TYR 106   0.476  -8.669   6.837
  872    HE2  TYR 106           HE2      TYR 106   2.051  -5.388   4.607
  873    HH   TYR 106           HH       TYR 106   3.027  -7.631   4.856
  874    H    THR 107           H        THR 107   1.328  -3.301  10.807
  875    HA   THR 107           HA       THR 107   2.614  -1.314   9.149
  876    HB   THR 107           HB       THR 107   3.436  -2.307  11.883
  877    HG1  THR 107           HG1      THR 107   1.234  -1.292  11.567
  878   1HG2  THR 107          1HG2      THR 107   4.099   0.215  10.367
  879   2HG2  THR 107          3HG2      THR 107   4.556  -0.116  12.037
  880   3HG2  THR 107          2HG2      THR 107   5.205  -1.107  10.730
  881    H    LEU 108           H        LEU 108   3.770  -2.174   7.513
  882    HA   LEU 108           HA       LEU 108   5.333  -4.564   7.845
  883   1HB   LEU 108           HB2      LEU 108   4.291  -4.158   5.716
  884   2HB   LEU 108           HB3      LEU 108   5.077  -2.599   5.571
  885    HG   LEU 108           HG       LEU 108   7.265  -3.736   5.397
  886   1HD1  LEU 108          2HD1      LEU 108   5.612  -6.257   5.400
  887   2HD1  LEU 108          1HD1      LEU 108   7.336  -6.157   5.042
  888   3HD1  LEU 108          3HD1      LEU 108   6.746  -5.753   6.654
  889   1HD2  LEU 108          2HD2      LEU 108   6.025  -3.134   3.386
  890   2HD2  LEU 108          1HD2      LEU 108   6.945  -4.620   3.149
  891   3HD2  LEU 108          3HD2      LEU 108   5.204  -4.694   3.419
  892    H    HIS 109           H        HIS 109   6.826  -4.073   9.455
  893    HA   HIS 109           HA       HIS 109   8.607  -1.835   9.233
  894   1HB   HIS 109           HB2      HIS 109   8.210  -4.079  11.099
  895   2HB   HIS 109           HB3      HIS 109   9.833  -3.411  11.014
  896    HD1  HIS 109           HD1      HIS 109  10.225  -1.142  12.084
  897    HD2  HIS 109           HD2      HIS 109   6.235  -2.302  12.083
  898    HE1  HIS 109           HE1      HIS 109   9.049   0.497  13.585
  899    HE2  HIS 109           HE2      HIS 109   6.621  -0.171  13.499
  900    H    LEU 110           H        LEU 110  10.638  -1.771   8.472
  901    HA   LEU 110           HA       LEU 110  11.927  -4.189   7.490
  902   1HB   LEU 110           HB2      LEU 110  11.276  -1.815   5.744
  903   2HB   LEU 110           HB3      LEU 110  12.355  -3.113   5.277
  904    HG   LEU 110           HG       LEU 110   9.402  -3.406   5.872
  905   1HD1  LEU 110          3HD1      LEU 110   9.814  -2.182   3.807
  906   2HD1  LEU 110          2HD1      LEU 110  10.894  -3.461   3.255
  907   3HD1  LEU 110          1HD1      LEU 110   9.175  -3.791   3.471
  908   1HD2  LEU 110          1HD2      LEU 110  10.850  -5.396   6.388
  909   2HD2  LEU 110          3HD2      LEU 110   9.588  -5.666   5.188
  910   3HD2  LEU 110          2HD2      LEU 110  11.260  -5.445   4.674
  911    H    ASN 111           H        ASN 111  13.765  -4.014   8.675
  912    HA   ASN 111           HA       ASN 111  15.069  -1.469   9.066
  913   1HB   ASN 111           HB2      ASN 111  15.025  -3.445  10.721
  914   2HB   ASN 111           HB3      ASN 111  16.256  -4.170   9.694
  915   1HD2  ASN 111          1HD2      ASN 111  17.432  -1.553   9.043
  916   2HD2  ASN 111          2HD2      ASN 111  18.317  -1.080  10.448
  917    H    VAL 112           H        VAL 112  15.227  -1.085   6.736
  918    HA   VAL 112           HA       VAL 112  16.616  -2.598   4.897
  919    HB   VAL 112           HB       VAL 112  16.970   0.366   4.821
  920   1HG1  VAL 112          1HG1      VAL 112  17.755  -1.128   3.001
  921   2HG1  VAL 112          3HG1      VAL 112  16.080  -1.613   2.734
  922   3HG1  VAL 112          2HG1      VAL 112  16.565   0.063   2.472
  923   1HG2  VAL 112          3HG2      VAL 112  14.332  -1.063   4.576
  924   2HG2  VAL 112          2HG2      VAL 112  14.746   0.278   5.643
  925   3HG2  VAL 112          1HG2      VAL 112  14.633   0.538   3.904
  926    H    LYS 113           H        LYS 113  18.662  -3.227   4.723
  927    HA   LYS 113           HA       LYS 113  20.674  -2.043   6.458
  928   1HB   LYS 113           HB2      LYS 113  20.554  -4.547   4.800
  929   2HB   LYS 113           HB3      LYS 113  22.060  -3.984   5.499
  930   1HG   LYS 113           HG2      LYS 113  19.567  -4.591   7.067
  931   2HG   LYS 113           HG3      LYS 113  20.915  -5.709   6.845
  932   1HD   LYS 113           HD2      LYS 113  22.415  -4.089   7.924
  933   2HD   LYS 113           HD3      LYS 113  21.045  -3.005   8.177
  934   1HE   LYS 113           HE2      LYS 113  19.951  -4.709   9.543
  935   2HE   LYS 113           HE3      LYS 113  21.318  -5.793   9.289
  936   1HZ   LYS 113           HZ1      LYS 113  22.744  -4.199  10.418
  937   2HZ   LYS 113           HZ3      LYS 113  21.429  -3.162  10.666
  938   3HZ   LYS 113           HZ2      LYS 113  21.469  -4.675  11.421

  No H/Q in entry =         938
  Start of MODEL    5
    1    H1   GLY  -2           HT1      GLY  -2  -8.560 -14.208  35.866
    2    H2   GLY  -2           HT3      GLY  -2  -9.088 -15.789  35.575
    3    H3   GLY  -2           HT2      GLY  -2  -7.900 -15.496  36.742
    4   1HA   GLY  -2           HA2      GLY  -2  -6.901 -16.401  34.746
    5   2HA   GLY  -2           HA3      GLY  -2  -6.352 -14.760  35.050
    6    H    SER  -1           H        SER  -1  -6.796 -16.550  32.579
    7    HA   SER  -1           HA       SER  -1  -8.577 -14.804  31.046
    8   1HB   SER  -1           HB2      SER  -1  -5.708 -15.396  30.276
    9   2HB   SER  -1           HB3      SER  -1  -6.883 -14.563  29.257
   10    HG   SER  -1           HG       SER  -1  -6.461 -13.576  31.832
   11    H    HIS   0           H        HIS   0  -9.621 -15.798  29.376
   12    HA   HIS   0           HA       HIS   0  -8.995 -18.646  28.947
   13   1HB   HIS   0           HB2      HIS   0 -11.702 -17.297  28.864
   14   2HB   HIS   0           HB3      HIS   0 -11.398 -18.996  28.519
   15    HD1  HIS   0           HD1      HIS   0 -12.111 -16.685  31.252
   16    HD2  HIS   0           HD2      HIS   0 -10.484 -20.487  30.847
   17    HE1  HIS   0           HE1      HIS   0 -12.184 -17.697  33.554
   18    HE2  HIS   0           HE2      HIS   0 -11.118 -19.965  33.299
   19    H    MET   1           H        MET   1  -8.226 -19.031  26.991
   20    HA   MET   1           HA       MET   1  -7.802 -18.906  24.761
   21   1HB   MET   1           HB2      MET   1 -10.603 -17.770  24.672
   22   2HB   MET   1           HB3      MET   1  -9.698 -18.353  23.283
   23   1HG   MET   1           HG2      MET   1  -9.656 -20.594  24.240
   24   2HG   MET   1           HG3      MET   1 -10.548 -20.013  25.645
   25   1HE   MET   1           HE3      MET   1 -10.659 -20.709  21.792
   26   2HE   MET   1           HE2      MET   1 -12.282 -20.164  21.370
   27   3HE   MET   1           HE1      MET   1 -11.061 -18.993  21.869
   28    H    ILE   2           H        ILE   2  -8.301 -17.158  22.774
   29    HA   ILE   2           HA       ILE   2  -6.814 -14.822  23.648
   30    HB   ILE   2           HB       ILE   2  -7.649 -15.707  20.881
   31   1HG1  ILE   2          2HG1      ILE   2  -5.085 -15.976  20.702
   32   2HG1  ILE   2          3HG1      ILE   2  -5.095 -15.929  22.462
   33   1HG2  ILE   2          2HG2      ILE   2  -5.894 -13.407  21.729
   34   2HG2  ILE   2          1HG2      ILE   2  -6.091 -13.976  20.071
   35   3HG2  ILE   2          3HG2      ILE   2  -7.467 -13.299  20.941
   36   1HD1  ILE   2          3HD1      ILE   2  -6.610 -17.908  20.780
   37   2HD1  ILE   2          2HD1      ILE   2  -5.064 -18.210  21.574
   38   3HD1  ILE   2          1HD1      ILE   2  -6.503 -17.886  22.541
   39    H    ALA   3           H        ALA   3  -9.940 -15.594  22.193
   40    HA   ALA   3           HA       ALA   3 -11.859 -14.401  21.941
   41   1HB   ALA   3           HB1      ALA   3 -11.685 -14.238  24.378
   42   2HB   ALA   3           HB3      ALA   3 -10.742 -12.758  24.209
   43   3HB   ALA   3           HB2      ALA   3 -12.425 -12.797  23.681
   44    HA   PRO   4           HA       PRO   4  -9.809 -11.363  19.138
   45   1HB   PRO   4           HB2      PRO   4 -12.345 -11.891  17.687
   46   2HB   PRO   4           HB3      PRO   4 -10.685 -11.876  17.083
   47   1HG   PRO   4           HG2      PRO   4 -11.992 -14.174  17.432
   48   2HG   PRO   4           HG3      PRO   4 -10.264 -14.039  17.808
   49   1HD   PRO   4           HD2      PRO   4 -12.613 -14.067  19.660
   50   2HD   PRO   4           HD3      PRO   4 -11.015 -14.818  19.853
   51    H    LEU   5           H        LEU   5 -10.016  -9.259  19.517
   52    HA   LEU   5           HA       LEU   5 -12.703  -8.128  19.872
   53   1HB   LEU   5           HB2      LEU   5 -10.299  -7.548  21.604
   54   2HB   LEU   5           HB3      LEU   5 -11.806  -6.655  21.659
   55    HG   LEU   5           HG       LEU   5 -11.509  -9.591  22.304
   56   1HD1  LEU   5          3HD1      LEU   5 -11.875  -7.215  24.123
   57   2HD1  LEU   5          2HD1      LEU   5 -11.884  -8.907  24.621
   58   3HD1  LEU   5          1HD1      LEU   5 -10.413  -8.188  23.966
   59   1HD2  LEU   5          2HD2      LEU   5 -13.860  -7.726  22.580
   60   2HD2  LEU   5          1HD2      LEU   5 -13.710  -9.049  21.425
   61   3HD2  LEU   5          3HD2      LEU   5 -13.796  -9.392  23.154
   62    H    SER   6           H        SER   6  -9.311  -7.016  19.820
   63    HA   SER   6           HA       SER   6  -9.817  -5.486  17.409
   64   1HB   SER   6           HB2      SER   6  -9.028  -4.122  19.995
   65   2HB   SER   6           HB3      SER   6  -9.067  -3.350  18.409
   66    HG   SER   6           HG       SER   6 -10.984  -3.083  19.787
   67    H    VAL   7           H        VAL   7  -7.782  -7.100  19.577
   68    HA   VAL   7           HA       VAL   7  -5.325  -6.113  18.342
   69    HB   VAL   7           HB       VAL   7  -5.698  -8.109  20.582
   70   1HG1  VAL   7          1HG1      VAL   7  -3.204  -6.786  19.518
   71   2HG1  VAL   7          3HG1      VAL   7  -3.289  -7.779  20.974
   72   3HG1  VAL   7          2HG1      VAL   7  -3.618  -8.496  19.397
   73   1HG2  VAL   7          3HG2      VAL   7  -6.430  -5.873  21.210
   74   2HG2  VAL   7          2HG2      VAL   7  -4.933  -6.296  22.041
   75   3HG2  VAL   7          1HG2      VAL   7  -4.895  -5.202  20.658
   76    H    LYS   8           H        LYS   8  -4.183  -7.217  16.860
   77    HA   LYS   8           HA       LYS   8  -4.692 -10.051  16.435
   78   1HB   LYS   8           HB2      LYS   8  -4.871  -7.952  14.255
   79   2HB   LYS   8           HB3      LYS   8  -4.906  -9.688  13.992
   80   1HG   LYS   8           HG2      LYS   8  -6.936  -8.181  15.619
   81   2HG   LYS   8           HG3      LYS   8  -7.133  -8.616  13.919
   82   1HD   LYS   8           HD2      LYS   8  -6.949 -10.981  14.493
   83   2HD   LYS   8           HD3      LYS   8  -6.718 -10.559  16.192
   84   1HE   LYS   8           HE2      LYS   8  -9.019 -11.243  15.761
   85   2HE   LYS   8           HE3      LYS   8  -8.937  -9.553  16.256
   86   1HZ   LYS   8           HZ2      LYS   8  -9.129  -8.904  13.934
   87   2HZ   LYS   8           HZ1      LYS   8  -9.214 -10.526  13.464
   88   3HZ   LYS   8           HZ3      LYS   8 -10.449  -9.851  14.402
   89    H    ASP   9           H        ASP   9  -3.166 -10.208  14.061
   90    HA   ASP   9           HA       ASP   9  -0.533  -9.291  14.994
   91   1HB   ASP   9           HB2      ASP   9  -0.920 -11.773  15.248
   92   2HB   ASP   9           HB3      ASP   9  -1.046 -11.859  13.494
   93    H    ASN  10           H        ASN  10   0.052  -7.706  13.671
   94    HA   ASN  10           HA       ASN  10  -0.211  -8.130  10.783
   95   1HB   ASN  10           HB2      ASN  10  -0.280  -5.404  11.064
   96   2HB   ASN  10           HB3      ASN  10  -1.678  -6.442  10.811
   97   1HD2  ASN  10          1HD2      ASN  10   0.115  -4.529  13.059
   98   2HD2  ASN  10          2HD2      ASN  10  -1.051  -4.547  14.334
   99    H    ASP  11           H        ASP  11   1.093  -5.341  12.382
  100    HA   ASP  11           HA       ASP  11   3.224  -4.738  10.993
  101   1HB   ASP  11           HB2      ASP  11   4.403  -4.269  13.302
  102   2HB   ASP  11           HB3      ASP  11   2.983  -3.357  12.802
  103    H    LYS  12           H        LYS  12   4.553  -6.029   9.995
  104    HA   LYS  12           HA       LYS  12   5.783  -8.278  11.387
  105   1HB   LYS  12           HB2      LYS  12   4.957  -8.895   9.257
  106   2HB   LYS  12           HB3      LYS  12   5.625  -7.459   8.493
  107   1HG   LYS  12           HG2      LYS  12   7.862  -8.302   8.785
  108   2HG   LYS  12           HG3      LYS  12   7.247  -9.718   9.639
  109   1HD   LYS  12           HD2      LYS  12   6.074 -10.445   7.642
  110   2HD   LYS  12           HD3      LYS  12   6.601  -8.997   6.781
  111   1HE   LYS  12           HE2      LYS  12   8.014 -10.822   6.134
  112   2HE   LYS  12           HE3      LYS  12   8.950  -9.710   7.134
  113   1HZ   LYS  12           HZ1      LYS  12   8.611 -11.179   9.022
  114   2HZ   LYS  12           HZ3      LYS  12   7.716 -12.247   8.061
  115   3HZ   LYS  12           HZ2      LYS  12   9.361 -12.005   7.751
  116    H    TRP  13           H        TRP  13   7.395  -7.556  12.635
  117    HA   TRP  13           HA       TRP  13   9.171  -5.455  11.794
  118   1HB   TRP  13           HB2      TRP  13   9.541  -7.112  14.264
  119   2HB   TRP  13           HB3      TRP  13   9.884  -5.407  14.003
  120    HD1  TRP  13           HD1      TRP  13   6.840  -7.749  14.440
  121    HE1  TRP  13           HE1      TRP  13   4.892  -6.384  15.413
  122    HE3  TRP  13           HE3      TRP  13   9.026  -3.124  14.487
  123    HZ2  TRP  13           HZ2      TRP  13   4.333  -3.700  16.102
  124    HZ3  TRP  13           HZ3      TRP  13   7.721  -1.217  15.332
  125    HH2  TRP  13           HH2      TRP  13   5.431  -1.501  16.127
  126    H    VAL  14           H        VAL  14  10.571  -6.039  10.217
  127    HA   VAL  14           HA       VAL  14  12.505  -8.136  10.895
  128    HB   VAL  14           HB       VAL  14  12.373  -9.198   8.691
  129   1HG1  VAL  14          3HG1      VAL  14  11.115 -10.149  10.571
  130   2HG1  VAL  14          2HG1      VAL  14   9.709  -9.190  10.107
  131   3HG1  VAL  14          1HG1      VAL  14  10.317 -10.447   9.027
  132   1HG2  VAL  14          1HG2      VAL  14  11.429  -7.198   7.527
  133   2HG2  VAL  14          3HG2      VAL  14  10.640  -8.721   7.122
  134   3HG2  VAL  14          2HG2      VAL  14   9.864  -7.595   8.236
  135    H    ASP  15           H        ASP  15  13.911  -8.296   8.597
  136    HA   ASP  15           HA       ASP  15  14.863  -5.542   8.179
  137   1HB   ASP  15           HB2      ASP  15  17.077  -6.398   7.971
  138   2HB   ASP  15           HB3      ASP  15  16.375  -7.167   9.393
  139    H    THR  16           H        THR  16  16.352  -5.615   6.010
  140    HA   THR  16           HA       THR  16  15.474  -7.257   3.890
  141    HB   THR  16           HB       THR  16  13.403  -5.825   4.373
  142    HG1  THR  16           HG1      THR  16  14.176  -5.443   1.711
  143   1HG2  THR  16          3HG2      THR  16  14.596  -3.684   4.616
  144   2HG2  THR  16          2HG2      THR  16  15.045  -3.762   2.913
  145   3HG2  THR  16          1HG2      THR  16  13.349  -3.619   3.370
  146    H    HIS  17           H        HIS  17  15.748  -5.803   1.688
  147    HA   HIS  17           HA       HIS  17  18.396  -4.537   1.935
  148   1HB   HIS  17           HB2      HIS  17  17.273  -6.467  -0.039
  149   2HB   HIS  17           HB3      HIS  17  18.429  -5.276  -0.623
  150    HD1  HIS  17           HD1      HIS  17  18.185  -8.477   1.134
  151    HD2  HIS  17           HD2      HIS  17  21.021  -5.474   0.671
  152    HE1  HIS  17           HE1      HIS  17  20.367  -9.494   1.862
  153    HE2  HIS  17           HE2      HIS  17  22.051  -7.632   1.659
  154    H    VAL  18           H        VAL  18  18.531  -3.545  -0.703
  155    HA   VAL  18           HA       VAL  18  16.692  -1.293  -0.438
  156    HB   VAL  18           HB       VAL  18  19.020  -1.591  -2.337
  157   1HG1  VAL  18          3HG1      VAL  18  17.429   0.824  -1.474
  158   2HG1  VAL  18          2HG1      VAL  18  18.863   0.857  -2.500
  159   3HG1  VAL  18          1HG1      VAL  18  17.395   0.061  -3.064
  160   1HG2  VAL  18          2HG2      VAL  18  19.780  -1.716  -0.025
  161   2HG2  VAL  18          1HG2      VAL  18  20.262  -0.187  -0.760
  162   3HG2  VAL  18          3HG2      VAL  18  18.898  -0.237   0.356
  163    H    GLY  19           H        GLY  19  15.165  -0.737  -1.852
  164   1HA   GLY  19           HA3      GLY  19  14.940  -1.422  -4.538
  165   2HA   GLY  19           HA2      GLY  19  13.610  -0.941  -3.506
  166    H    LYS  20           H        LYS  20  14.461  -3.461  -1.836
  167    HA   LYS  20           HA       LYS  20  13.855  -5.691  -3.449
  168   1HB   LYS  20           HB2      LYS  20  14.705  -5.348  -0.874
  169   2HB   LYS  20           HB3      LYS  20  13.052  -5.868  -0.621
  170   1HG   LYS  20           HG2      LYS  20  14.206  -7.855  -0.600
  171   2HG   LYS  20           HG3      LYS  20  13.646  -7.764  -2.274
  172   1HD   LYS  20           HD2      LYS  20  15.750  -7.129  -3.064
  173   2HD   LYS  20           HD3      LYS  20  16.291  -6.654  -1.458
  174   1HE   LYS  20           HE2      LYS  20  15.745  -9.474  -2.379
  175   2HE   LYS  20           HE3      LYS  20  17.340  -8.749  -2.180
  176   1HZ   LYS  20           HZ2      LYS  20  16.884  -8.484   0.179
  177   2HZ   LYS  20           HZ1      LYS  20  15.356  -9.182  -0.013
  178   3HZ   LYS  20           HZ3      LYS  20  16.748 -10.107  -0.278
  179    H    THR  21           H        THR  21  12.084  -4.953  -4.695
  180    HA   THR  21           HA       THR  21   9.689  -3.928  -3.873
  181    HB   THR  21           HB       THR  21   9.821  -6.048  -6.007
  182    HG1  THR  21           HG1      THR  21  11.532  -4.643  -6.429
  183   1HG2  THR  21          2HG2      THR  21   7.612  -5.131  -5.445
  184   2HG2  THR  21          1HG2      THR  21   8.215  -3.502  -5.745
  185   3HG2  THR  21          3HG2      THR  21   8.113  -4.660  -7.070
  186    H    THR  22           H        THR  22   8.796  -4.674  -2.021
  187    HA   THR  22           HA       THR  22   8.273  -7.524  -1.719
  188    HB   THR  22           HB       THR  22   7.775  -5.210   0.168
  189    HG1  THR  22           HG1      THR  22   9.894  -5.574   0.302
  190   1HG2  THR  22          2HG2      THR  22   6.139  -6.993   0.538
  191   2HG2  THR  22          1HG2      THR  22   7.444  -8.177   0.635
  192   3HG2  THR  22          3HG2      THR  22   7.301  -6.919   1.863
  193    H    GLU  23           H        GLU  23   6.664  -8.102  -3.023
  194    HA   GLU  23           HA       GLU  23   4.295  -6.523  -3.367
  195   1HB   GLU  23           HB2      GLU  23   5.285  -7.872  -5.183
  196   2HB   GLU  23           HB3      GLU  23   4.954  -9.333  -4.262
  197   1HG   GLU  23           HG2      GLU  23   2.609  -9.025  -4.460
  198   2HG   GLU  23           HG3      GLU  23   2.829  -7.405  -5.117
  199    H    ILE  24           H        ILE  24   2.452  -6.695  -2.279
  200    HA   ILE  24           HA       ILE  24   1.996  -9.088  -0.644
  201    HB   ILE  24           HB       ILE  24   1.493  -6.272   0.280
  202   1HG1  ILE  24          2HG1      ILE  24   3.628  -8.242   1.115
  203   2HG1  ILE  24          3HG1      ILE  24   3.893  -6.766   0.193
  204   1HG2  ILE  24          1HG2      ILE  24  -0.093  -7.913   1.156
  205   2HG2  ILE  24          3HG2      ILE  24   1.249  -8.902   1.734
  206   3HG2  ILE  24          2HG2      ILE  24   0.968  -7.305   2.429
  207   1HD1  ILE  24          3HD1      ILE  24   3.138  -5.445   2.106
  208   2HD1  ILE  24          2HD1      ILE  24   2.909  -6.930   3.031
  209   3HD1  ILE  24          1HD1      ILE  24   4.525  -6.459   2.504
  210    H    HIS  25           H        HIS  25   0.321  -9.965  -1.687
  211    HA   HIS  25           HA       HIS  25  -1.872  -8.348  -2.657
  212   1HB   HIS  25           HB2      HIS  25  -1.895 -11.347  -2.517
  213   2HB   HIS  25           HB3      HIS  25  -2.679 -10.293  -3.680
  214    HD1  HIS  25           HD1      HIS  25   0.001 -12.565  -3.507
  215    HD2  HIS  25           HD2      HIS  25  -0.507  -8.834  -5.261
  216    HE1  HIS  25           HE1      HIS  25   1.770 -12.415  -5.288
  217    HE2  HIS  25           HE2      HIS  25   1.347 -10.209  -6.427
  218    H    LEU  26           H        LEU  26  -2.939  -7.494  -0.932
  219    HA   LEU  26           HA       LEU  26  -3.665  -9.211   1.313
  220   1HB   LEU  26           HB2      LEU  26  -4.175  -6.277   0.872
  221   2HB   LEU  26           HB3      LEU  26  -4.478  -7.153   2.358
  222    HG   LEU  26           HG       LEU  26  -1.713  -6.957   1.188
  223   1HD1  LEU  26          2HD1      LEU  26  -2.535  -4.681   1.465
  224   2HD1  LEU  26          1HD1      LEU  26  -3.016  -5.046   3.122
  225   3HD1  LEU  26          3HD1      LEU  26  -1.310  -5.060   2.676
  226   1HD2  LEU  26          2HD2      LEU  26  -2.235  -8.653   2.949
  227   2HD2  LEU  26          1HD2      LEU  26  -0.997  -7.482   3.405
  228   3HD2  LEU  26          3HD2      LEU  26  -2.638  -7.319   4.033
  229    H    LYS  27           H        LYS  27  -5.777  -9.656   1.894
  230    HA   LYS  27           HA       LYS  27  -7.711  -9.340  -0.287
  231   1HB   LYS  27           HB2      LYS  27  -8.031 -11.146   2.097
  232   2HB   LYS  27           HB3      LYS  27  -8.856 -11.233   0.548
  233   1HG   LYS  27           HG2      LYS  27  -6.665 -11.771  -0.514
  234   2HG   LYS  27           HG3      LYS  27  -5.968 -11.862   1.105
  235   1HD   LYS  27           HD2      LYS  27  -8.293 -13.529   0.152
  236   2HD   LYS  27           HD3      LYS  27  -6.615 -14.074   0.182
  237   1HE   LYS  27           HE2      LYS  27  -6.552 -13.723   2.607
  238   2HE   LYS  27           HE3      LYS  27  -8.235 -13.199   2.571
  239   1HZ   LYS  27           HZ1      LYS  27  -8.861 -15.390   1.761
  240   2HZ   LYS  27           HZ3      LYS  27  -7.245 -15.892   1.799
  241   3HZ   LYS  27           HZ2      LYS  27  -8.047 -15.509   3.239
  242    H    GLY  28           H        GLY  28  -9.998  -9.025   0.357
  243   1HA   GLY  28           HA3      GLY  28 -10.259  -6.651   1.853
  244   2HA   GLY  28           HA2      GLY  28 -10.773  -8.007   2.842
  245    H    ASN  29           H        ASN  29 -12.193  -5.674   1.532
  246    HA   ASN  29           HA       ASN  29 -13.875  -6.636  -0.511
  247   1HB   ASN  29           HB2      ASN  29 -14.648  -8.139   1.313
  248   2HB   ASN  29           HB3      ASN  29 -15.103  -6.722   2.253
  249   1HD2  ASN  29          1HD2      ASN  29 -17.253  -7.325   2.322
  250   2HD2  ASN  29          2HD2      ASN  29 -18.289  -7.218   0.943
  251    HA   PRO  30           HA       PRO  30 -13.788  -2.060  -0.086
  252   1HB   PRO  30           HB2      PRO  30 -14.968  -2.437  -2.793
  253   2HB   PRO  30           HB3      PRO  30 -13.681  -1.348  -2.268
  254   1HG   PRO  30           HG2      PRO  30 -13.114  -3.550  -3.646
  255   2HG   PRO  30           HG3      PRO  30 -12.073  -3.025  -2.310
  256   1HD   PRO  30           HD2      PRO  30 -14.084  -5.225  -2.395
  257   2HD   PRO  30           HD3      PRO  30 -12.519  -5.160  -1.566
  258    H    THR  31           H        THR  31 -16.367  -4.293  -0.629
  259    HA   THR  31           HA       THR  31 -18.429  -2.256  -0.606
  260    HB   THR  31           HB       THR  31 -20.017  -4.093  -0.756
  261    HG1  THR  31           HG1      THR  31 -19.471  -6.021  -0.092
  262   1HG2  THR  31          1HG2      THR  31 -17.643  -4.450  -2.587
  263   2HG2  THR  31          3HG2      THR  31 -19.262  -5.085  -2.884
  264   3HG2  THR  31          2HG2      THR  31 -18.995  -3.343  -2.828
  265    H    THR  32           H        THR  32 -16.525  -3.060   1.754
  266    HA   THR  32           HA       THR  32 -18.551  -3.659   3.776
  267    HB   THR  32           HB       THR  32 -16.624  -3.815   5.348
  268    HG1  THR  32           HG1      THR  32 -14.548  -4.053   3.948
  269   1HG2  THR  32          3HG2      THR  32 -16.427  -5.513   2.859
  270   2HG2  THR  32          2HG2      THR  32 -15.710  -5.905   4.421
  271   3HG2  THR  32          1HG2      THR  32 -17.463  -5.820   4.252
  272    H    GLY  33           H        GLY  33 -15.869  -1.329   3.393
  273   1HA   GLY  33           HA3      GLY  33 -17.117   0.452   5.320
  274   2HA   GLY  33           HA2      GLY  33 -17.090   1.038   3.664
  275    H    TYR  34           H        TYR  34 -14.529  -0.946   4.974
  276    HA   TYR  34           HA       TYR  34 -12.836   1.411   5.348
  277   1HB   TYR  34           HB2      TYR  34 -12.400  -1.486   6.091
  278   2HB   TYR  34           HB3      TYR  34 -11.227  -0.204   6.369
  279    HD1  TYR  34           HD1      TYR  34 -14.714  -1.215   7.182
  280    HD2  TYR  34           HD2      TYR  34 -11.292   1.034   8.363
  281    HE1  TYR  34           HE1      TYR  34 -15.780  -0.737   9.345
  282    HE2  TYR  34           HE2      TYR  34 -12.356   1.513  10.527
  283    HH   TYR  34           HH       TYR  34 -15.116  -0.119  11.628
  284    H    MET  35           H        MET  35 -10.376   0.654   4.826
  285    HA   MET  35           HA       MET  35 -10.181  -0.578   2.214
  286   1HB   MET  35           HB2      MET  35 -10.414   1.540   1.341
  287   2HB   MET  35           HB3      MET  35  -9.813   2.317   2.801
  288   1HG   MET  35           HG2      MET  35  -7.540   1.547   2.222
  289   2HG   MET  35           HG3      MET  35  -8.185   0.902   0.731
  290   1HE   MET  35           HE2      MET  35 -10.345   3.078  -0.065
  291   2HE   MET  35           HE1      MET  35  -9.412   4.160  -1.098
  292   3HE   MET  35           HE3      MET  35  -9.212   2.414  -1.240
  293    H    TRP  36           H        TRP  36  -8.047  -1.193   1.709
  294    HA   TRP  36           HA       TRP  36  -6.242  -1.192   4.025
  295   1HB   TRP  36           HB2      TRP  36  -6.910  -3.180   1.978
  296   2HB   TRP  36           HB3      TRP  36  -5.191  -3.006   2.279
  297    HD1  TRP  36           HD1      TRP  36  -7.954  -5.023   3.396
  298    HE1  TRP  36           HE1      TRP  36  -7.555  -5.995   5.749
  299    HE3  TRP  36           HE3      TRP  36  -4.059  -2.053   4.849
  300    HZ2  TRP  36           HZ2      TRP  36  -5.821  -5.555   7.927
  301    HZ3  TRP  36           HZ3      TRP  36  -3.090  -2.392   7.080
  302    HH2  TRP  36           HH2      TRP  36  -3.958  -4.106   8.585
  303    H    THR  37           H        THR  37  -5.353   0.845   3.624
  304    HA   THR  37           HA       THR  37  -3.492   0.890   1.341
  305    HB   THR  37           HB       THR  37  -5.444   2.345   0.845
  306    HG1  THR  37           HG1      THR  37  -4.164   4.010   0.128
  307   1HG2  THR  37          1HG2      THR  37  -4.480   3.880   3.264
  308   2HG2  THR  37          3HG2      THR  37  -5.708   4.433   2.124
  309   3HG2  THR  37          2HG2      THR  37  -6.008   3.009   3.121
  310    H    ARG  38           H        ARG  38  -2.192   3.318   1.945
  311    HA   ARG  38           HA       ARG  38  -0.784   2.499   4.349
  312   1HB   ARG  38           HB2      ARG  38  -0.138   4.180   2.007
  313   2HB   ARG  38           HB3      ARG  38   0.597   4.661   3.520
  314   1HG   ARG  38           HG2      ARG  38   1.690   2.592   3.761
  315   2HG   ARG  38           HG3      ARG  38   0.792   1.894   2.411
  316   1HD   ARG  38           HD2      ARG  38   3.129   2.586   1.885
  317   2HD   ARG  38           HD3      ARG  38   1.919   3.271   0.843
  318    HE   ARG  38           HE       ARG  38   2.307   5.371   1.838
  319   1HH1  ARG  38          1HH1      ARG  38   4.338   2.855   3.136
  320   2HH1  ARG  38          2HH1      ARG  38   5.523   3.952   3.762
  321   1HH2  ARG  38          1HH2      ARG  38   3.883   6.825   2.644
  322   2HH2  ARG  38          2HH2      ARG  38   5.263   6.205   3.486
  323    H    VAL  39           H        VAL  39  -0.332   3.878   6.103
  324    HA   VAL  39           HA       VAL  39  -2.544   5.443   6.948
  325    HB   VAL  39           HB       VAL  39   0.196   5.378   8.211
  326   1HG1  VAL  39          3HG1      VAL  39  -2.541   5.923   9.354
  327   2HG1  VAL  39          2HG1      VAL  39  -1.041   5.845  10.278
  328   3HG1  VAL  39          1HG1      VAL  39  -1.270   7.113   9.073
  329   1HG2  VAL  39          2HG2      VAL  39  -0.852   3.101   7.746
  330   2HG2  VAL  39          1HG2      VAL  39  -0.376   3.446   9.410
  331   3HG2  VAL  39          3HG2      VAL  39  -2.073   3.551   8.936
  332    H    GLY  40           H        GLY  40  -2.904   7.580   6.862
  333   1HA   GLY  40           HA3      GLY  40  -0.742   9.472   6.551
  334   2HA   GLY  40           HA2      GLY  40  -2.451   9.852   6.694
  335    H    PHE  41           H        PHE  41  -2.465   7.599   4.405
  336    HA   PHE  41           HA       PHE  41  -2.229   9.582   2.245
  337   1HB   PHE  41           HB2      PHE  41  -1.379   6.686   2.064
  338   2HB   PHE  41           HB3      PHE  41  -1.261   7.891   0.786
  339    HD1  PHE  41           HD1      PHE  41   0.311   6.420   3.623
  340    HD2  PHE  41           HD2      PHE  41   0.243   9.894   1.176
  341    HE1  PHE  41           HE1      PHE  41   2.537   7.051   4.466
  342    HE2  PHE  41           HE2      PHE  41   2.470  10.533   2.007
  343    HZ   PHE  41           HZ       PHE  41   3.619   9.110   3.657
  344    H    VAL  42           H        VAL  42  -4.180   7.619   3.939
  345    HA   VAL  42           HA       VAL  42  -5.742   6.227   2.126
  346    HB   VAL  42           HB       VAL  42  -6.851   7.666   4.532
  347   1HG1  VAL  42          2HG1      VAL  42  -8.429   6.547   2.970
  348   2HG1  VAL  42          1HG1      VAL  42  -7.610   5.023   3.310
  349   3HG1  VAL  42          3HG1      VAL  42  -8.445   5.884   4.603
  350   1HG2  VAL  42          2HG2      VAL  42  -4.673   6.356   4.910
  351   2HG2  VAL  42          1HG2      VAL  42  -6.048   6.014   5.958
  352   3HG2  VAL  42          3HG2      VAL  42  -5.660   4.923   4.631
  353    H    GLY  43           H        GLY  43  -6.395   7.126   0.255
  354   1HA   GLY  43           HA3      GLY  43  -8.082   9.539   0.449
  355   2HA   GLY  43           HA2      GLY  43  -8.261   8.285  -0.769
  356    H    LYS  44           H        LYS  44  -5.137   9.507   0.177
  357    HA   LYS  44           HA       LYS  44  -4.864  11.545  -1.736
  358   1HB   LYS  44           HB2      LYS  44  -2.776   9.823  -0.393
  359   2HB   LYS  44           HB3      LYS  44  -2.428  11.270  -1.318
  360   1HG   LYS  44           HG2      LYS  44  -3.837  12.557   0.285
  361   2HG   LYS  44           HG3      LYS  44  -3.976  11.087   1.253
  362   1HD   LYS  44           HD2      LYS  44  -2.217  12.208   2.269
  363   2HD   LYS  44           HD3      LYS  44  -1.393  11.079   1.191
  364   1HE   LYS  44           HE2      LYS  44  -1.988  13.958   0.523
  365   2HE   LYS  44           HE3      LYS  44  -0.448  13.378   1.155
  366   1HZ   LYS  44           HZ1      LYS  44  -0.305  11.910  -0.812
  367   2HZ   LYS  44           HZ3      LYS  44  -1.697  12.645  -1.434
  368   3HZ   LYS  44           HZ2      LYS  44  -0.291  13.555  -1.204
  369    H    ASP  45           H        ASP  45  -3.067  11.401  -3.466
  370    HA   ASP  45           HA       ASP  45  -3.899   9.481  -5.401
  371   1HB   ASP  45           HB2      ASP  45  -3.107  11.796  -5.948
  372   2HB   ASP  45           HB3      ASP  45  -1.481  11.294  -5.512
  373    H    VAL  46           H        VAL  46  -0.779  10.064  -3.809
  374    HA   VAL  46           HA       VAL  46  -0.093   7.244  -4.314
  375    HB   VAL  46           HB       VAL  46   1.691   9.671  -4.238
  376   1HG1  VAL  46          2HG1      VAL  46   2.483   6.759  -4.257
  377   2HG1  VAL  46          1HG1      VAL  46   3.578   8.107  -4.564
  378   3HG1  VAL  46          3HG1      VAL  46   2.813   7.934  -2.984
  379   1HG2  VAL  46          3HG2      VAL  46   0.533   9.179  -6.345
  380   2HG2  VAL  46          2HG2      VAL  46   2.283   8.973  -6.484
  381   3HG2  VAL  46          1HG2      VAL  46   1.237   7.559  -6.334
  382    H    LEU  47           H        LEU  47   0.754   6.042  -2.716
  383    HA   LEU  47           HA       LEU  47   0.370   7.020  -0.015
  384   1HB   LEU  47           HB2      LEU  47   1.367   4.298  -0.726
  385   2HB   LEU  47           HB3      LEU  47   0.418   4.790   0.656
  386    HG   LEU  47           HG       LEU  47  -0.580   4.572  -2.187
  387   1HD1  LEU  47          2HD1      LEU  47  -0.171   2.410  -1.110
  388   2HD1  LEU  47          1HD1      LEU  47  -1.186   2.898   0.247
  389   3HD1  LEU  47          3HD1      LEU  47  -1.895   2.703  -1.357
  390   1HD2  LEU  47          1HD2      LEU  47  -2.031   5.315   0.351
  391   2HD2  LEU  47          3HD2      LEU  47  -1.713   6.371  -1.025
  392   3HD2  LEU  47          2HD2      LEU  47  -2.797   4.990  -1.205
  393    H    SER  48           H        SER  48   2.927   5.614  -1.991
  394    HA   SER  48           HA       SER  48   5.035   5.693  -0.185
  395   1HB   SER  48           HB2      SER  48   5.164   4.553  -2.350
  396   2HB   SER  48           HB3      SER  48   5.099   6.103  -3.185
  397    HG   SER  48           HG       SER  48   7.082   5.853  -1.275
  398    H    ASP  49           H        ASP  49   7.082   7.172  -0.810
  399    HA   ASP  49           HA       ASP  49   6.473   9.898  -1.426
  400   1HB   ASP  49           HB2      ASP  49   6.371   9.040   1.349
  401   2HB   ASP  49           HB3      ASP  49   7.581  10.297   1.098
  402    H    GLU  50           H        GLU  50   8.880   8.973   0.957
  403    HA   GLU  50           HA       GLU  50  10.972   9.182  -1.100
  404   1HB   GLU  50           HB2      GLU  50  12.332  10.482   0.453
  405   2HB   GLU  50           HB3      GLU  50  10.797  11.285   0.151
  406   1HG   GLU  50           HG2      GLU  50   9.932  10.474   2.273
  407   2HG   GLU  50           HG3      GLU  50  11.451   9.635   2.582
  408    H    ILE  51           H        ILE  51  10.010   7.977   2.057
  409    HA   ILE  51           HA       ILE  51  12.338   6.534   2.689
  410    HB   ILE  51           HB       ILE  51   9.524   5.810   3.494
  411   1HG1  ILE  51          2HG1      ILE  51   9.998   8.218   3.857
  412   2HG1  ILE  51          3HG1      ILE  51   9.769   7.333   5.357
  413   1HG2  ILE  51          3HG2      ILE  51  12.191   5.358   4.823
  414   2HG2  ILE  51          2HG2      ILE  51  10.622   4.959   5.525
  415   3HG2  ILE  51          1HG2      ILE  51  11.172   4.134   4.067
  416   1HD1  ILE  51          3HD1      ILE  51  12.436   8.081   4.185
  417   2HD1  ILE  51          2HD1      ILE  51  11.608   8.952   5.476
  418   3HD1  ILE  51          1HD1      ILE  51  12.153   7.295   5.739
  419    H    LEU  52           H        LEU  52   9.250   4.953   1.982
  420    HA   LEU  52           HA       LEU  52  10.738   2.924   0.441
  421   1HB   LEU  52           HB2      LEU  52   8.055   2.626   1.792
  422   2HB   LEU  52           HB3      LEU  52   8.966   1.360   0.995
  423    HG   LEU  52           HG       LEU  52   9.772   2.779   3.531
  424   1HD1  LEU  52          1HD1      LEU  52   7.874   1.274   3.827
  425   2HD1  LEU  52          3HD1      LEU  52   8.783  -0.028   3.060
  426   3HD1  LEU  52          2HD1      LEU  52   9.324   0.635   4.602
  427   1HD2  LEU  52          1HD2      LEU  52  11.083   0.530   2.014
  428   2HD2  LEU  52          3HD2      LEU  52  11.734   2.149   2.278
  429   3HD2  LEU  52          2HD2      LEU  52  11.531   1.045   3.639
  430    H    GLU  53           H        GLU  53  10.356   2.814  -1.688
  431    HA   GLU  53           HA       GLU  53   8.387   4.395  -2.973
  432   1HB   GLU  53           HB2      GLU  53  10.524   2.568  -3.751
  433   2HB   GLU  53           HB3      GLU  53   9.116   2.429  -4.794
  434   1HG   GLU  53           HG2      GLU  53   9.965   5.167  -4.205
  435   2HG   GLU  53           HG3      GLU  53  11.113   4.206  -5.131
  436    H    VAL  54           H        VAL  54   6.591   3.591  -1.599
  437    HA   VAL  54           HA       VAL  54   5.660   0.917  -1.955
  438    HB   VAL  54           HB       VAL  54   3.947   3.153  -0.932
  439   1HG1  VAL  54          1HG1      VAL  54   2.938   0.956  -1.290
  440   2HG1  VAL  54          3HG1      VAL  54   4.153   0.227  -0.240
  441   3HG1  VAL  54          2HG1      VAL  54   2.988   1.371   0.424
  442   1HG2  VAL  54          3HG2      VAL  54   6.272   1.835   0.425
  443   2HG2  VAL  54          2HG2      VAL  54   5.856   3.546   0.342
  444   3HG2  VAL  54          1HG2      VAL  54   4.906   2.456   1.351
  445    H    VAL  55           H        VAL  55   5.465   0.730  -4.225
  446    HA   VAL  55           HA       VAL  55   3.486   2.346  -5.577
  447    HB   VAL  55           HB       VAL  55   4.872  -0.130  -6.591
  448   1HG1  VAL  55          1HG1      VAL  55   2.779   0.605  -7.739
  449   2HG1  VAL  55          3HG1      VAL  55   3.589   2.124  -8.122
  450   3HG1  VAL  55          2HG1      VAL  55   4.211   0.607  -8.772
  451   1HG2  VAL  55          1HG2      VAL  55   6.528   1.550  -5.970
  452   2HG2  VAL  55          3HG2      VAL  55   6.431   1.393  -7.724
  453   3HG2  VAL  55          2HG2      VAL  55   5.667   2.763  -6.917
  454    H    CYS  56           H        CYS  56   1.693   1.867  -4.331
  455    HA   CYS  56           HA       CYS  56   0.720  -0.891  -4.346
  456   1HB   CYS  56           HB2      CYS  56   0.702   0.112  -2.164
  457   2HB   CYS  56           HB3      CYS  56  -0.142   1.534  -2.770
  458    HG   CYS  56           HG       CYS  56  -2.102   0.328  -1.395
  459    H    LYS  57           H        LYS  57  -1.312  -1.436  -5.092
  460    HA   LYS  57           HA       LYS  57  -2.788   0.589  -6.597
  461   1HB   LYS  57           HB2      LYS  57  -2.354  -2.129  -7.779
  462   2HB   LYS  57           HB3      LYS  57  -2.862  -0.649  -8.576
  463   1HG   LYS  57           HG2      LYS  57  -0.614   0.275  -8.292
  464   2HG   LYS  57           HG3      LYS  57  -0.104  -1.222  -7.511
  465   1HD   LYS  57           HD2      LYS  57   0.607  -1.350  -9.773
  466   2HD   LYS  57           HD3      LYS  57  -0.783  -2.425  -9.615
  467   1HE   LYS  57           HE2      LYS  57  -2.228  -0.669 -10.541
  468   2HE   LYS  57           HE3      LYS  57  -0.822   0.379 -10.724
  469   1HZ   LYS  57           HZ3      LYS  57  -1.204  -2.237 -12.076
  470   2HZ   LYS  57           HZ2      LYS  57  -1.390  -0.720 -12.800
  471   3HZ   LYS  57           HZ1      LYS  57   0.133  -1.217 -12.258
  472    H    TYR  58           H        TYR  58  -4.696   0.605  -5.675
  473    HA   TYR  58           HA       TYR  58  -5.800  -1.674  -4.324
  474   1HB   TYR  58           HB2      TYR  58  -6.125   0.756  -3.643
  475   2HB   TYR  58           HB3      TYR  58  -7.210   0.913  -5.020
  476    HD1  TYR  58           HD1      TYR  58  -8.806  -1.506  -4.948
  477    HD2  TYR  58           HD2      TYR  58  -7.367   0.876  -1.708
  478    HE1  TYR  58           HE1      TYR  58 -10.680  -2.287  -3.569
  479    HE2  TYR  58           HE2      TYR  58  -9.260   0.111  -0.329
  480    HH   TYR  58           HH       TYR  58 -11.513  -0.803  -0.620
  481    H    THR  59           H        THR  59  -6.374  -3.326  -5.619
  482    HA   THR  59           HA       THR  59  -7.815  -2.754  -8.108
  483    HB   THR  59           HB       THR  59  -6.713  -5.408  -7.177
  484    HG1  THR  59           HG1      THR  59  -5.216  -3.476  -7.663
  485   1HG2  THR  59          2HG2      THR  59  -7.590  -4.427  -9.898
  486   2HG2  THR  59          1HG2      THR  59  -6.886  -6.007  -9.554
  487   3HG2  THR  59          3HG2      THR  59  -8.458  -5.576  -8.879
  488    HA   PRO  60           HA       PRO  60 -11.412  -4.414  -5.967
  489   1HB   PRO  60           HB2      PRO  60 -13.158  -2.642  -6.916
  490   2HB   PRO  60           HB3      PRO  60 -11.953  -2.158  -5.722
  491   1HG   PRO  60           HG2      PRO  60 -12.095  -1.538  -8.608
  492   2HG   PRO  60           HG3      PRO  60 -11.293  -0.649  -7.305
  493   1HD   PRO  60           HD2      PRO  60 -10.148  -2.529  -9.162
  494   2HD   PRO  60           HD3      PRO  60  -9.332  -1.567  -7.913
  495    H    THR  61           H        THR  61 -11.483  -6.392  -7.125
  496    HA   THR  61           HA       THR  61 -12.232  -6.493  -9.886
  497    HB   THR  61           HB       THR  61 -12.592  -8.949  -8.299
  498    HG1  THR  61           HG1      THR  61 -10.180  -7.470  -8.286
  499   1HG2  THR  61          3HG2      THR  61 -10.968  -8.230 -10.740
  500   2HG2  THR  61          2HG2      THR  61 -11.136  -9.858 -10.083
  501   3HG2  THR  61          1HG2      THR  61 -12.547  -9.014 -10.719
  502    HA   PRO  62           HA       PRO  62 -16.638  -6.304  -9.468
  503   1HB   PRO  62           HB2      PRO  62 -16.764  -8.074 -11.825
  504   2HB   PRO  62           HB3      PRO  62 -17.375  -6.431 -11.621
  505   1HG   PRO  62           HG2      PRO  62 -15.230  -6.945 -13.143
  506   2HG   PRO  62           HG3      PRO  62 -15.347  -5.466 -12.170
  507   1HD   PRO  62           HD2      PRO  62 -13.815  -7.980 -11.618
  508   2HD   PRO  62           HD3      PRO  62 -13.336  -6.288 -11.368
  509    H    SER  63           H        SER  63 -18.569  -7.920  -9.758
  510    HA   SER  63           HA       SER  63 -17.924 -10.639  -8.972
  511   1HB   SER  63           HB2      SER  63 -17.919  -9.533  -6.815
  512   2HB   SER  63           HB3      SER  63 -19.465  -8.761  -7.165
  513    HG   SER  63           HG       SER  63 -19.155 -11.571  -7.132
  514    H    SER  64           H        SER  64 -19.936 -11.981  -8.763
  515    HA   SER  64           HA       SER  64 -21.518 -11.778 -11.040
  516   1HB   SER  64           HB2      SER  64 -22.946 -13.503  -9.999
  517   2HB   SER  64           HB3      SER  64 -21.233 -13.878  -9.809
  518    HG   SER  64           HG       SER  64 -22.272 -12.377  -7.764
  519    H    THR  65           H        THR  65 -21.889 -10.335  -7.915
  520    HA   THR  65           HA       THR  65 -24.627  -9.734  -7.950
  521    HB   THR  65           HB       THR  65 -24.053  -7.918  -6.351
  522    HG1  THR  65           HG1      THR  65 -21.393  -8.643  -6.222
  523   1HG2  THR  65          3HG2      THR  65 -24.336 -10.213  -5.546
  524   2HG2  THR  65          2HG2      THR  65 -22.628 -10.534  -5.846
  525   3HG2  THR  65          1HG2      THR  65 -23.100  -9.363  -4.615
  526    HA   PRO  66           HA       PRO  66 -25.115  -6.459 -10.874
  527   1HB   PRO  66           HB2      PRO  66 -26.693  -4.667  -9.562
  528   2HB   PRO  66           HB3      PRO  66 -27.293  -6.206 -10.185
  529   1HG   PRO  66           HG2      PRO  66 -26.422  -5.496  -7.409
  530   2HG   PRO  66           HG3      PRO  66 -27.868  -6.384  -7.929
  531   1HD   PRO  66           HD2      PRO  66 -25.702  -7.663  -7.000
  532   2HD   PRO  66           HD3      PRO  66 -26.678  -8.339  -8.320
  533    H    MET  67           H        MET  67 -25.514  -3.688 -10.234
  534    HA   MET  67           HA       MET  67 -22.930  -2.711 -10.364
  535   1HB   MET  67           HB2      MET  67 -25.394  -1.281  -9.357
  536   2HB   MET  67           HB3      MET  67 -23.904  -0.501  -9.868
  537   1HG   MET  67           HG2      MET  67 -24.217  -1.383 -12.125
  538   2HG   MET  67           HG3      MET  67 -25.715  -2.156 -11.611
  539   1HE   MET  67           HE3      MET  67 -26.928   0.042  -9.651
  540   2HE   MET  67           HE2      MET  67 -27.965   0.941 -10.760
  541   3HE   MET  67           HE1      MET  67 -27.888  -0.819 -10.853
  542    H    VAL  68           H        VAL  68 -24.595  -3.873  -7.649
  543    HA   VAL  68           HA       VAL  68 -22.795  -2.475  -5.795
  544    HB   VAL  68           HB       VAL  68 -25.260  -4.104  -5.160
  545   1HG1  VAL  68          2HG1      VAL  68 -23.539  -2.349  -3.412
  546   2HG1  VAL  68          1HG1      VAL  68 -25.051  -3.112  -2.922
  547   3HG1  VAL  68          3HG1      VAL  68 -23.656  -4.108  -3.338
  548   1HG2  VAL  68          3HG2      VAL  68 -25.835  -2.072  -6.368
  549   2HG2  VAL  68          2HG2      VAL  68 -26.323  -1.948  -4.678
  550   3HG2  VAL  68          1HG2      VAL  68 -24.875  -1.114  -5.240
  551    H    GLY  69           H        GLY  69 -20.917  -3.614  -5.789
  552   1HA   GLY  69           HA3      GLY  69 -21.059  -6.533  -5.484
  553   2HA   GLY  69           HA2      GLY  69 -20.207  -5.594  -4.271
  554    H    VAL  70           H        VAL  70 -18.117  -5.138  -4.594
  555    HA   VAL  70           HA       VAL  70 -16.863  -6.144  -7.000
  556    HB   VAL  70           HB       VAL  70 -17.315  -3.895  -7.693
  557   1HG1  VAL  70          2HG1      VAL  70 -17.660  -2.925  -5.459
  558   2HG1  VAL  70          1HG1      VAL  70 -15.916  -2.939  -5.204
  559   3HG1  VAL  70          3HG1      VAL  70 -16.613  -1.934  -6.474
  560   1HG2  VAL  70          2HG2      VAL  70 -14.428  -4.175  -6.870
  561   2HG2  VAL  70          1HG2      VAL  70 -15.159  -4.790  -8.352
  562   3HG2  VAL  70          3HG2      VAL  70 -15.043  -3.051  -8.081
  563    H    GLY  71           H        GLY  71 -15.959  -7.664  -5.574
  564   1HA   GLY  71           HA3      GLY  71 -14.683  -8.327  -3.694
  565   2HA   GLY  71           HA2      GLY  71 -14.188  -6.657  -3.471
  566    H    GLY  72           H        GLY  72 -12.042  -6.658  -3.570
  567   1HA   GLY  72           HA3      GLY  72 -10.412  -6.562  -5.601
  568   2HA   GLY  72           HA2      GLY  72 -10.691  -8.297  -5.596
  569    H    ILE  73           H        ILE  73  -8.329  -6.385  -4.947
  570    HA   ILE  73           HA       ILE  73  -7.743  -7.203  -2.225
  571    HB   ILE  73           HB       ILE  73  -5.534  -8.091  -2.835
  572   1HG1  ILE  73          2HG1      ILE  73  -6.426  -8.520  -5.641
  573   2HG1  ILE  73          3HG1      ILE  73  -5.715  -6.969  -5.198
  574   1HG2  ILE  73          3HG2      ILE  73  -7.457  -9.561  -2.371
  575   2HG2  ILE  73          2HG2      ILE  73  -7.739  -9.671  -4.109
  576   3HG2  ILE  73          1HG2      ILE  73  -6.235 -10.286  -3.417
  577   1HD1  ILE  73          3HD1      ILE  73  -3.740  -8.172  -4.328
  578   2HD1  ILE  73          2HD1      ILE  73  -4.446  -9.681  -4.909
  579   3HD1  ILE  73          1HD1      ILE  73  -4.003  -8.416  -6.057
  580    H    TYR  74           H        TYR  74  -5.077  -6.610  -2.158
  581    HA   TYR  74           HA       TYR  74  -4.842  -3.864  -3.151
  582   1HB   TYR  74           HB2      TYR  74  -3.980  -4.535  -0.355
  583   2HB   TYR  74           HB3      TYR  74  -4.387  -2.965  -1.045
  584    HD1  TYR  74           HD1      TYR  74  -5.784  -6.108   0.293
  585    HD2  TYR  74           HD2      TYR  74  -6.658  -2.176  -1.074
  586    HE1  TYR  74           HE1      TYR  74  -8.052  -6.306   1.201
  587    HE2  TYR  74           HE2      TYR  74  -8.933  -2.373  -0.158
  588    HH   TYR  74           HH       TYR  74  -9.867  -4.839   1.963
  589    H    VAL  75           H        VAL  75  -3.205  -4.231  -4.569
  590    HA   VAL  75           HA       VAL  75  -0.967  -5.933  -3.861
  591    HB   VAL  75           HB       VAL  75  -1.529  -4.327  -6.358
  592   1HG1  VAL  75          2HG1      VAL  75   0.715  -6.258  -5.774
  593   2HG1  VAL  75          1HG1      VAL  75   0.340  -5.585  -7.361
  594   3HG1  VAL  75          3HG1      VAL  75   0.867  -4.523  -6.055
  595   1HG2  VAL  75          3HG2      VAL  75  -3.027  -6.228  -6.016
  596   2HG2  VAL  75          2HG2      VAL  75  -1.945  -6.502  -7.380
  597   3HG2  VAL  75          1HG2      VAL  75  -1.634  -7.295  -5.836
  598    H    VAL  76           H        VAL  76   0.376  -5.047  -2.419
  599    HA   VAL  76           HA       VAL  76   1.213  -2.255  -2.813
  600    HB   VAL  76           HB       VAL  76   1.628  -3.972  -0.366
  601   1HG1  VAL  76          2HG1      VAL  76   1.960  -1.019  -0.869
  602   2HG1  VAL  76          1HG1      VAL  76   2.024  -1.775   0.723
  603   3HG1  VAL  76          3HG1      VAL  76   3.228  -2.187  -0.498
  604   1HG2  VAL  76          3HG2      VAL  76  -0.763  -3.612  -0.818
  605   2HG2  VAL  76          2HG2      VAL  76  -0.227  -2.778   0.641
  606   3HG2  VAL  76          1HG2      VAL  76  -0.482  -1.872  -0.850
  607    H    LEU  77           H        LEU  77   3.110  -1.916  -3.758
  608    HA   LEU  77           HA       LEU  77   5.219  -3.956  -3.500
  609   1HB   LEU  77           HB2      LEU  77   4.774  -1.835  -5.600
  610   2HB   LEU  77           HB3      LEU  77   6.240  -2.790  -5.491
  611    HG   LEU  77           HG       LEU  77   3.451  -3.848  -6.017
  612   1HD1  LEU  77          3HD1      LEU  77   4.391  -2.650  -7.916
  613   2HD1  LEU  77          2HD1      LEU  77   5.861  -3.619  -7.814
  614   3HD1  LEU  77          1HD1      LEU  77   4.328  -4.383  -8.234
  615   1HD2  LEU  77          1HD2      LEU  77   5.161  -5.286  -4.692
  616   2HD2  LEU  77          3HD2      LEU  77   4.292  -5.995  -6.054
  617   3HD2  LEU  77          2HD2      LEU  77   5.957  -5.455  -6.259
  618    H    VAL  78           H        VAL  78   6.322  -3.363  -1.701
  619    HA   VAL  78           HA       VAL  78   6.992  -0.537  -1.360
  620    HB   VAL  78           HB       VAL  78   8.054  -2.162   0.737
  621   1HG1  VAL  78          1HG1      VAL  78   5.784  -0.161   0.656
  622   2HG1  VAL  78          3HG1      VAL  78   6.569  -0.756   2.120
  623   3HG1  VAL  78          2HG1      VAL  78   7.488   0.197   0.956
  624   1HG2  VAL  78          1HG2      VAL  78   6.385  -3.817   0.057
  625   2HG2  VAL  78          3HG2      VAL  78   6.015  -3.127   1.637
  626   3HG2  VAL  78          2HG2      VAL  78   5.121  -2.598   0.212
  627    H    LYS  79           H        LYS  79   8.701   0.015  -2.540
  628    HA   LYS  79           HA       LYS  79  11.035  -1.760  -2.607
  629   1HB   LYS  79           HB2      LYS  79   9.982   0.357  -4.419
  630   2HB   LYS  79           HB3      LYS  79  11.719   0.085  -4.384
  631   1HG   LYS  79           HG2      LYS  79  11.342  -2.283  -4.912
  632   2HG   LYS  79           HG3      LYS  79   9.598  -1.966  -5.019
  633   1HD   LYS  79           HD2      LYS  79  11.714  -0.623  -6.710
  634   2HD   LYS  79           HD3      LYS  79  10.734  -1.998  -7.226
  635   1HE   LYS  79           HE2      LYS  79   8.704  -0.662  -6.925
  636   2HE   LYS  79           HE3      LYS  79   9.685   0.712  -6.414
  637   1HZ   LYS  79           HZ2      LYS  79  10.729   0.729  -8.595
  638   2HZ   LYS  79           HZ1      LYS  79   9.786  -0.587  -9.084
  639   3HZ   LYS  79           HZ3      LYS  79   9.052   0.897  -8.733
  640    HA   PRO  80           HA       PRO  80  12.560   0.943   0.724
  641   1HB   PRO  80           HB2      PRO  80  14.947  -0.709   0.028
  642   2HB   PRO  80           HB3      PRO  80  14.291  -0.288   1.615
  643   1HG   PRO  80           HG2      PRO  80  13.892  -2.707   0.566
  644   2HG   PRO  80           HG3      PRO  80  12.625  -1.891   1.497
  645   1HD   PRO  80           HD2      PRO  80  12.836  -2.330  -1.434
  646   2HD   PRO  80           HD3      PRO  80  11.395  -2.203  -0.407
  647    H    ARG  81           H        ARG  81  12.641   2.912  -0.361
  648    HA   ARG  81           HA       ARG  81  14.549   3.457  -2.418
  649   1HB   ARG  81           HB2      ARG  81  12.361   4.828  -1.136
  650   2HB   ARG  81           HB3      ARG  81  13.759   5.887  -1.252
  651   1HG   ARG  81           HG2      ARG  81  13.881   5.468  -3.653
  652   2HG   ARG  81           HG3      ARG  81  12.477   4.404  -3.532
  653   1HD   ARG  81           HD2      ARG  81  11.094   6.233  -2.805
  654   2HD   ARG  81           HD3      ARG  81  12.485   7.317  -2.762
  655    HE   ARG  81           HE       ARG  81  12.337   6.338  -5.343
  656   1HH1  ARG  81          1HH1      ARG  81  10.335   8.223  -3.203
  657   2HH1  ARG  81          2HH1      ARG  81   9.578   9.110  -4.483
  658   1HH2  ARG  81          1HH2      ARG  81  11.346   7.500  -7.034
  659   2HH2  ARG  81          2HH2      ARG  81  10.152   8.699  -6.660
  660    H    LYS  82           H        LYS  82  14.388   3.903   1.056
  661    HA   LYS  82           HA       LYS  82  17.130   4.968   1.039
  662   1HB   LYS  82           HB2      LYS  82  14.980   5.229   3.150
  663   2HB   LYS  82           HB3      LYS  82  16.601   5.890   3.265
  664   1HG   LYS  82           HG2      LYS  82  16.122   7.275   1.261
  665   2HG   LYS  82           HG3      LYS  82  14.459   6.684   1.310
  666   1HD   LYS  82           HD2      LYS  82  14.189   7.619   3.551
  667   2HD   LYS  82           HD3      LYS  82  15.853   8.205   3.511
  668   1HE   LYS  82           HE2      LYS  82  13.635   9.039   1.645
  669   2HE   LYS  82           HE3      LYS  82  14.267   9.989   2.990
  670   1HZ   LYS  82           HZ3      LYS  82  16.418  10.048   1.888
  671   2HZ   LYS  82           HZ2      LYS  82  15.808   9.143   0.595
  672   3HZ   LYS  82           HZ1      LYS  82  15.216  10.700   0.890
  673    H    ARG  83           H        ARG  83  18.312   4.403   3.166
  674    HA   ARG  83           HA       ARG  83  17.837   1.559   3.781
  675   1HB   ARG  83           HB2      ARG  83  20.495   2.995   3.748
  676   2HB   ARG  83           HB3      ARG  83  20.232   1.276   4.007
  677   1HG   ARG  83           HG2      ARG  83  19.565   0.944   1.762
  678   2HG   ARG  83           HG3      ARG  83  19.454   2.681   1.468
  679   1HD   ARG  83           HD2      ARG  83  21.862   2.895   1.767
  680   2HD   ARG  83           HD3      ARG  83  21.985   1.167   2.094
  681    HE   ARG  83           HE       ARG  83  20.755   1.544  -0.402
  682   1HH1  ARG  83          1HH1      ARG  83  23.855   1.920   1.146
  683   2HH1  ARG  83          2HH1      ARG  83  24.756   1.677  -0.314
  684   1HH2  ARG  83          1HH2      ARG  83  21.934   1.223  -2.328
  685   2HH2  ARG  83          2HH2      ARG  83  23.665   1.282  -2.287
  686    H    GLY  84           H        GLY  84  17.319   1.165   5.833
  687   1HA   GLY  84           HA3      GLY  84  17.920   3.225   7.845
  688   2HA   GLY  84           HA2      GLY  84  18.418   1.568   8.147
  689    H    HIS  85           H        HIS  85  16.552   3.275   9.636
  690    HA   HIS  85           HA       HIS  85  14.554   1.343  10.152
  691   1HB   HIS  85           HB2      HIS  85  14.670   4.249  10.988
  692   2HB   HIS  85           HB3      HIS  85  13.600   3.030  11.674
  693    HD1  HIS  85           HD1      HIS  85  16.984   4.417  11.948
  694    HD2  HIS  85           HD2      HIS  85  14.980   0.994  13.188
  695    HE1  HIS  85           HE1      HIS  85  18.436   3.396  13.730
  696    HE2  HIS  85           HE2      HIS  85  17.247   1.279  14.401
  697    H    HIS  86           H        HIS  86  13.240   0.883   8.463
  698    HA   HIS  86           HA       HIS  86  11.462   3.042   7.559
  699   1HB   HIS  86           HB2      HIS  86  12.617   0.893   5.766
  700   2HB   HIS  86           HB3      HIS  86  11.520   2.185   5.280
  701    HD1  HIS  86           HD1      HIS  86  12.994   4.504   6.795
  702    HD2  HIS  86           HD2      HIS  86  14.812   1.713   4.312
  703    HE1  HIS  86           HE1      HIS  86  15.130   5.582   6.022
  704    HE2  HIS  86           HE2      HIS  86  16.262   3.834   4.607
  705    H    THR  87           H        THR  87   9.358   2.294   6.808
  706    HA   THR  87           HA       THR  87   8.625  -0.455   7.284
  707    HB   THR  87           HB       THR  87   7.534   1.702   9.099
  708    HG1  THR  87           HG1      THR  87   8.833   0.877  10.581
  709   1HG2  THR  87          2HG2      THR  87   6.839  -1.231   8.920
  710   2HG2  THR  87          1HG2      THR  87   6.256  -0.111  10.150
  711   3HG2  THR  87          3HG2      THR  87   5.795   0.112   8.463
  712    H    LEU  88           H        LEU  88   6.463  -0.952   6.684
  713    HA   LEU  88           HA       LEU  88   5.285   1.014   4.847
  714   1HB   LEU  88           HB2      LEU  88   5.820  -0.994   3.702
  715   2HB   LEU  88           HB3      LEU  88   5.155  -1.988   4.979
  716    HG   LEU  88           HG       LEU  88   2.884  -1.091   4.393
  717   1HD1  LEU  88          1HD1      LEU  88   3.602   0.956   3.282
  718   2HD1  LEU  88          3HD1      LEU  88   4.346   0.004   1.998
  719   3HD1  LEU  88          2HD1      LEU  88   2.597  -0.029   2.220
  720   1HD2  LEU  88          3HD2      LEU  88   4.398  -2.563   2.250
  721   2HD2  LEU  88          2HD2      LEU  88   3.585  -3.277   3.640
  722   3HD2  LEU  88          1HD2      LEU  88   2.644  -2.479   2.381
  723    H    GLU  89           H        GLU  89   4.027   2.191   6.240
  724    HA   GLU  89           HA       GLU  89   2.358   1.001   8.206
  725   1HB   GLU  89           HB2      GLU  89   2.508   3.774   7.045
  726   2HB   GLU  89           HB3      GLU  89   1.370   3.329   8.310
  727   1HG   GLU  89           HG2      GLU  89   3.181   2.725   9.770
  728   2HG   GLU  89           HG3      GLU  89   4.358   3.077   8.507
  729    H    LEU  90           H        LEU  90   0.927  -0.445   7.334
  730    HA   LEU  90           HA       LEU  90  -1.050   0.672   5.455
  731   1HB   LEU  90           HB2      LEU  90  -0.156  -2.170   5.897
  732   2HB   LEU  90           HB3      LEU  90  -1.648  -1.783   5.069
  733    HG   LEU  90           HG       LEU  90   1.128  -0.991   4.184
  734   1HD1  LEU  90          1HD1      LEU  90  -0.847  -3.007   3.132
  735   2HD1  LEU  90          3HD1      LEU  90   0.603  -2.490   2.273
  736   3HD1  LEU  90          2HD1      LEU  90   0.746  -3.329   3.817
  737   1HD2  LEU  90          3HD2      LEU  90  -1.556  -0.475   2.910
  738   2HD2  LEU  90          2HD2      LEU  90  -0.464   0.733   3.588
  739   3HD2  LEU  90          1HD2      LEU  90   0.008  -0.175   2.152
  740    H    VAL  91           H        VAL  91  -3.160   0.725   6.043
  741    HA   VAL  91           HA       VAL  91  -3.952  -0.622   8.521
  742    HB   VAL  91           HB       VAL  91  -3.217   1.599   9.203
  743   1HG1  VAL  91          2HG1      VAL  91  -5.202   2.598   7.164
  744   2HG1  VAL  91          1HG1      VAL  91  -4.429   3.610   8.386
  745   3HG1  VAL  91          3HG1      VAL  91  -3.450   2.817   7.151
  746   1HG2  VAL  91          2HG2      VAL  91  -6.210   1.253   9.260
  747   2HG2  VAL  91          1HG2      VAL  91  -5.046   0.676  10.452
  748   3HG2  VAL  91          3HG2      VAL  91  -5.317   2.406  10.250
  749    H    TYR  92           H        TYR  92  -6.225  -0.829   8.800
  750    HA   TYR  92           HA       TYR  92  -7.751  -0.720   6.301
  751   1HB   TYR  92           HB2      TYR  92  -7.507  -2.821   7.831
  752   2HB   TYR  92           HB3      TYR  92  -8.694  -2.015   8.847
  753    HD1  TYR  92           HD1      TYR  92 -10.587  -3.361   8.643
  754    HD2  TYR  92           HD2      TYR  92  -8.539  -2.117   5.127
  755    HE1  TYR  92           HE1      TYR  92 -12.395  -4.299   7.265
  756    HE2  TYR  92           HE2      TYR  92 -10.343  -3.049   3.741
  757    HH   TYR  92           HH       TYR  92 -13.337  -4.001   5.013
  758    H    THR  93           H        THR  93  -8.264   1.481   6.271
  759    HA   THR  93           HA       THR  93  -9.946   2.459   8.494
  760    HB   THR  93           HB       THR  93  -7.925   3.734   8.390
  761    HG1  THR  93           HG1      THR  93  -9.038   5.784   7.350
  762   1HG2  THR  93          3HG2      THR  93  -8.440   3.617   5.469
  763   2HG2  THR  93          2HG2      THR  93  -7.679   5.080   6.102
  764   3HG2  THR  93          1HG2      THR  93  -6.919   3.506   6.357
  765    H    ARG  94           H        ARG  94 -11.370   4.342   7.793
  766    HA   ARG  94           HA       ARG  94 -12.786   3.580   5.337
  767   1HB   ARG  94           HB2      ARG  94 -13.688   5.177   7.740
  768   2HB   ARG  94           HB3      ARG  94 -14.673   4.903   6.311
  769   1HG   ARG  94           HG2      ARG  94 -14.590   2.490   6.728
  770   2HG   ARG  94           HG3      ARG  94 -13.630   2.788   8.178
  771   1HD   ARG  94           HD2      ARG  94 -15.981   2.444   8.732
  772   2HD   ARG  94           HD3      ARG  94 -15.459   4.077   9.140
  773    HE   ARG  94           HE       ARG  94 -16.564   4.087   6.560
  774   1HH1  ARG  94          1HH1      ARG  94 -17.526   3.699   9.886
  775   2HH1  ARG  94          2HH1      ARG  94 -19.127   4.308   9.629
  776   1HH2  ARG  94          1HH2      ARG  94 -18.670   4.890   6.211
  777   2HH2  ARG  94          2HH2      ARG  94 -19.777   4.984   7.540
  778    HA   PRO  95           HA       PRO  95 -10.454   7.229   3.736
  779   1HB   PRO  95           HB2      PRO  95 -12.239   6.323   1.504
  780   2HB   PRO  95           HB3      PRO  95 -10.569   6.898   1.437
  781   1HG   PRO  95           HG2      PRO  95 -11.081   4.296   1.311
  782   2HG   PRO  95           HG3      PRO  95  -9.713   4.894   2.268
  783   1HD   PRO  95           HD2      PRO  95 -12.340   3.839   3.175
  784   2HD   PRO  95           HD3      PRO  95 -10.754   3.762   3.965
  785    H    PHE  96           H        PHE  96 -13.906   6.514   3.489
  786    HA   PHE  96           HA       PHE  96 -14.692   9.176   2.854
  787   1HB   PHE  96           HB2      PHE  96 -16.154   7.405   2.210
  788   2HB   PHE  96           HB3      PHE  96 -16.215   6.770   3.850
  789    HD1  PHE  96           HD1      PHE  96 -17.746   7.609   5.440
  790    HD2  PHE  96           HD2      PHE  96 -17.311   9.531   1.669
  791    HE1  PHE  96           HE1      PHE  96 -19.769   8.933   5.887
  792    HE2  PHE  96           HE2      PHE  96 -19.336  10.860   2.107
  793    HZ   PHE  96           HZ       PHE  96 -20.568  10.562   4.219
  794    H    GLU  97           H        GLU  97 -14.470   7.325   5.862
  795    HA   GLU  97           HA       GLU  97 -15.422   9.626   7.380
  796   1HB   GLU  97           HB2      GLU  97 -16.474   7.655   8.094
  797   2HB   GLU  97           HB3      GLU  97 -14.985   6.722   8.015
  798   1HG   GLU  97           HG2      GLU  97 -15.601   7.084  10.299
  799   2HG   GLU  97           HG3      GLU  97 -14.118   7.959   9.927
  800    H    GLY  98           H        GLY  98 -12.880   7.227   8.047
  801   1HA   GLY  98           HA3      GLY  98 -11.305   9.185   9.452
  802   2HA   GLY  98           HA2      GLY  98 -10.604   8.721   7.907
  803    H    ILE  99           H        ILE  99  -8.967   8.164   9.737
  804    HA   ILE  99           HA       ILE  99  -9.107   5.272   9.990
  805    HB   ILE  99           HB       ILE  99  -6.774   6.973  10.801
  806   1HG1  ILE  99          2HG1      ILE  99  -7.158   5.859   8.027
  807   2HG1  ILE  99          3HG1      ILE  99  -7.681   7.491   8.440
  808   1HG2  ILE  99          2HG2      ILE  99  -7.248   4.110  10.066
  809   2HG2  ILE  99          1HG2      ILE  99  -5.646   4.824   9.852
  810   3HG2  ILE  99          3HG2      ILE  99  -6.388   4.785  11.451
  811   1HD1  ILE  99          2HD1      ILE  99  -5.380   8.047   9.063
  812   2HD1  ILE  99          1HD1      ILE  99  -4.871   6.418   8.624
  813   3HD1  ILE  99          3HD1      ILE  99  -5.498   7.509   7.388
  814    H    LYS 100           H        LYS 100  -8.825   4.152  11.912
  815    HA   LYS 100           HA       LYS 100  -9.072   5.697  14.397
  816   1HB   LYS 100           HB2      LYS 100 -10.714   3.259  13.721
  817   2HB   LYS 100           HB3      LYS 100 -10.832   4.227  15.173
  818   1HG   LYS 100           HG2      LYS 100 -11.732   6.072  13.975
  819   2HG   LYS 100           HG3      LYS 100 -11.366   5.317  12.423
  820   1HD   LYS 100           HD2      LYS 100 -12.951   3.475  13.831
  821   2HD   LYS 100           HD3      LYS 100 -13.706   5.052  14.069
  822   1HE   LYS 100           HE2      LYS 100 -13.726   5.415  11.652
  823   2HE   LYS 100           HE3      LYS 100 -12.943   3.854  11.407
  824   1HZ   LYS 100           HZ1      LYS 100 -14.873   2.773  12.378
  825   2HZ   LYS 100           HZ3      LYS 100 -15.625   4.271  12.613
  826   3HZ   LYS 100           HZ2      LYS 100 -15.324   3.713  11.046
  827    HA   PRO 101           HA       PRO 101  -6.127   2.912  16.116
  828   1HB   PRO 101           HB2      PRO 101  -7.061   2.511  18.639
  829   2HB   PRO 101           HB3      PRO 101  -6.320   4.027  18.114
  830   1HG   PRO 101           HG2      PRO 101  -9.218   3.327  18.386
  831   2HG   PRO 101           HG3      PRO 101  -8.379   4.820  18.844
  832   1HD   PRO 101           HD2      PRO 101  -9.831   4.599  16.571
  833   2HD   PRO 101           HD3      PRO 101  -8.398   5.641  16.697
  834    H    GLU 102           H        GLU 102  -9.484   1.958  16.775
  835    HA   GLU 102           HA       GLU 102  -8.953  -0.754  17.293
  836   1HB   GLU 102           HB2      GLU 102 -11.386  -1.077  16.818
  837   2HB   GLU 102           HB3      GLU 102 -11.032   0.168  18.011
  838   1HG   GLU 102           HG2      GLU 102 -11.298   1.877  16.304
  839   2HG   GLU 102           HG3      GLU 102 -11.658   0.631  15.113
  840    H    ASN 103           H        ASN 103  -9.253   1.049  14.364
  841    HA   ASN 103           HA       ASN 103  -9.968  -0.883  12.518
  842   1HB   ASN 103           HB2      ASN 103  -8.118   1.485  12.309
  843   2HB   ASN 103           HB3      ASN 103  -8.486   0.469  10.921
  844   1HD2  ASN 103          1HD2      ASN 103 -10.917   0.906  13.320
  845   2HD2  ASN 103          2HD2      ASN 103 -11.915   1.987  12.417
  846    H    GLU 104           H        GLU 104  -8.810  -2.296  11.174
  847    HA   GLU 104           HA       GLU 104  -6.862  -3.861  12.371
  848   1HB   GLU 104           HB2      GLU 104  -8.416  -4.117  10.184
  849   2HB   GLU 104           HB3      GLU 104  -6.875  -3.773   9.412
  850   1HG   GLU 104           HG2      GLU 104  -5.900  -5.700  10.182
  851   2HG   GLU 104           HG3      GLU 104  -7.024  -5.858  11.532
  852    H    ARG 105           H        ARG 105  -4.646  -4.267  11.619
  853    HA   ARG 105           HA       ARG 105  -3.289  -1.843  10.646
  854   1HB   ARG 105           HB2      ARG 105  -3.072  -1.914  13.084
  855   2HB   ARG 105           HB3      ARG 105  -2.455  -3.553  12.997
  856   1HG   ARG 105           HG2      ARG 105  -0.487  -2.431  13.224
  857   2HG   ARG 105           HG3      ARG 105  -0.639  -2.414  11.462
  858   1HD   ARG 105           HD2      ARG 105  -0.062  -0.204  12.237
  859   2HD   ARG 105           HD3      ARG 105  -1.703  -0.201  11.588
  860    HE   ARG 105           HE       ARG 105  -1.909  -0.671  14.312
  861   1HH1  ARG 105          1HH1      ARG 105  -0.786   1.870  12.206
  862   2HH1  ARG 105          2HH1      ARG 105  -1.163   3.139  13.324
  863   1HH2  ARG 105          1HH2      ARG 105  -2.407   0.995  15.789
  864   2HH2  ARG 105          2HH2      ARG 105  -2.083   2.641  15.360
  865    H    TYR 106           H        TYR 106  -1.092  -2.264   9.861
  866    HA   TYR 106           HA       TYR 106  -0.050  -4.848   9.476
  867   1HB   TYR 106           HB2      TYR 106  -1.963  -4.968   7.873
  868   2HB   TYR 106           HB3      TYR 106  -1.243  -3.632   6.974
  869    HD1  TYR 106           HD1      TYR 106  -0.975  -7.161   7.884
  870    HD2  TYR 106           HD2      TYR 106   0.728  -4.007   5.597
  871    HE1  TYR 106           HE1      TYR 106   0.337  -8.798   6.620
  872    HE2  TYR 106           HE2      TYR 106   2.050  -5.639   4.323
  873    HH   TYR 106           HH       TYR 106   1.455  -8.979   4.436
  874    H    THR 107           H        THR 107   1.474  -3.319  10.483
  875    HA   THR 107           HA       THR 107   2.775  -1.469   8.639
  876    HB   THR 107           HB       THR 107   4.053  -1.676  11.224
  877    HG1  THR 107           HG1      THR 107   2.370  -1.718  12.499
  878   1HG2  THR 107          1HG2      THR 107   4.136   0.244   9.633
  879   2HG2  THR 107          3HG2      THR 107   2.448   0.577  10.017
  880   3HG2  THR 107          2HG2      THR 107   3.680   0.700  11.273
  881    H    LEU 108           H        LEU 108   3.840  -2.894   7.233
  882    HA   LEU 108           HA       LEU 108   5.496  -5.009   8.181
  883   1HB   LEU 108           HB2      LEU 108   4.604  -5.176   5.971
  884   2HB   LEU 108           HB3      LEU 108   5.294  -3.636   5.510
  885    HG   LEU 108           HG       LEU 108   7.530  -4.561   5.563
  886   1HD1  LEU 108          1HD1      LEU 108   7.256  -6.105   7.426
  887   2HD1  LEU 108          3HD1      LEU 108   6.222  -7.133   6.432
  888   3HD1  LEU 108          2HD1      LEU 108   7.923  -6.930   6.016
  889   1HD2  LEU 108          1HD2      LEU 108   6.260  -4.805   3.502
  890   2HD2  LEU 108          3HD2      LEU 108   7.348  -6.173   3.741
  891   3HD2  LEU 108          2HD2      LEU 108   5.624  -6.350   4.066
  892    H    HIS 109           H        HIS 109   6.915  -4.177   9.688
  893    HA   HIS 109           HA       HIS 109   8.584  -1.929   9.148
  894   1HB   HIS 109           HB2      HIS 109   8.472  -3.981  11.310
  895   2HB   HIS 109           HB3      HIS 109   9.860  -2.909  11.184
  896    HD1  HIS 109           HD1      HIS 109   9.597  -0.589  12.102
  897    HD2  HIS 109           HD2      HIS 109   5.977  -2.603  11.783
  898    HE1  HIS 109           HE1      HIS 109   7.905   0.887  13.235
  899    HE2  HIS 109           HE2      HIS 109   5.739  -0.394  13.107
  900    H    LEU 110           H        LEU 110  10.762  -1.873   8.703
  901    HA   LEU 110           HA       LEU 110  12.094  -4.313   7.859
  902   1HB   LEU 110           HB2      LEU 110  11.583  -1.982   6.013
  903   2HB   LEU 110           HB3      LEU 110  12.665  -3.310   5.651
  904    HG   LEU 110           HG       LEU 110   9.685  -3.572   6.100
  905   1HD1  LEU 110          3HD1      LEU 110  11.280  -3.598   3.543
  906   2HD1  LEU 110          2HD1      LEU 110   9.558  -3.947   3.686
  907   3HD1  LEU 110          1HD1      LEU 110  10.164  -2.334   4.063
  908   1HD2  LEU 110          2HD2      LEU 110  11.058  -5.569   6.675
  909   2HD2  LEU 110          1HD2      LEU 110   9.921  -5.829   5.352
  910   3HD2  LEU 110          3HD2      LEU 110  11.632  -5.590   5.008
  911    H    ASN 111           H        ASN 111  14.008  -4.217   8.827
  912    HA   ASN 111           HA       ASN 111  15.268  -1.689   9.452
  913   1HB   ASN 111           HB2      ASN 111  15.307  -3.677  11.006
  914   2HB   ASN 111           HB3      ASN 111  16.360  -4.487   9.851
  915   1HD2  ASN 111          1HD2      ASN 111  18.483  -3.878   9.679
  916   2HD2  ASN 111          2HD2      ASN 111  19.246  -2.798  10.790
  917    H    VAL 112           H        VAL 112  14.966  -1.727   6.863
  918    HA   VAL 112           HA       VAL 112  16.482  -2.918   5.025
  919    HB   VAL 112           HB       VAL 112  16.444   0.086   5.032
  920   1HG1  VAL 112          3HG1      VAL 112  17.520  -1.114   3.171
  921   2HG1  VAL 112          2HG1      VAL 112  15.994  -1.942   2.852
  922   3HG1  VAL 112          1HG1      VAL 112  16.106  -0.193   2.654
  923   1HG2  VAL 112          1HG2      VAL 112  14.100  -1.764   4.655
  924   2HG2  VAL 112          3HG2      VAL 112  14.255  -0.427   5.795
  925   3HG2  VAL 112          2HG2      VAL 112  14.127  -0.103   4.067
  926    H    LYS 113           H        LYS 113  18.558  -3.391   4.781
  927    HA   LYS 113           HA       LYS 113  20.590  -2.435   6.476
  928   1HB   LYS 113           HB2      LYS 113  20.768  -3.872   3.823
  929   2HB   LYS 113           HB3      LYS 113  22.132  -3.601   4.899
  930   1HG   LYS 113           HG2      LYS 113  19.656  -5.152   5.625
  931   2HG   LYS 113           HG3      LYS 113  21.178  -5.865   5.085
  932   1HD   LYS 113           HD2      LYS 113  22.325  -4.897   7.009
  933   2HD   LYS 113           HD3      LYS 113  20.818  -4.151   7.542
  934   1HE   LYS 113           HE2      LYS 113  19.813  -6.356   7.820
  935   2HE   LYS 113           HE3      LYS 113  21.303  -7.114   7.259
  936   1HZ   LYS 113           HZ3      LYS 113  22.455  -6.173   9.165
  937   2HZ   LYS 113           HZ2      LYS 113  21.024  -5.450   9.703
  938   3HZ   LYS 113           HZ1      LYS 113  21.157  -7.136   9.666

  No H/Q in entry =         938
  Start of MODEL    6
    1    H1   GLY  -2           HT2      GLY  -2  -1.844 -29.450   7.330
    2    H2   GLY  -2           HT1      GLY  -2  -2.107 -30.201   8.823
    3    H3   GLY  -2           HT3      GLY  -2  -1.150 -30.958   7.651
    4   1HA   GLY  -2           HA2      GLY  -2  -3.325 -31.989   7.747
    5   2HA   GLY  -2           HA3      GLY  -2  -3.051 -31.212   6.195
    6    H    SER  -1           H        SER  -1  -3.946 -29.802   9.328
    7    HA   SER  -1           HA       SER  -1  -6.572 -29.099   8.237
    8   1HB   SER  -1           HB2      SER  -1  -7.162 -28.542  10.572
    9   2HB   SER  -1           HB3      SER  -1  -6.566 -30.196  10.426
   10    HG   SER  -1           HG       SER  -1  -5.518 -28.071  11.795
   11    H    HIS   0           H        HIS   0  -6.929 -27.136   7.460
   12    HA   HIS   0           HA       HIS   0  -5.598 -24.829   8.646
   13   1HB   HIS   0           HB2      HIS   0  -4.115 -25.525   6.803
   14   2HB   HIS   0           HB3      HIS   0  -5.468 -25.425   5.681
   15    HD1  HIS   0           HD1      HIS   0  -3.011 -23.328   7.534
   16    HD2  HIS   0           HD2      HIS   0  -6.235 -22.810   4.965
   17    HE1  HIS   0           HE1      HIS   0  -2.911 -20.924   6.806
   18    HE2  HIS   0           HE2      HIS   0  -4.820 -20.656   5.183
   19    H    MET   1           H        MET   1  -6.911 -23.110   8.774
   20    HA   MET   1           HA       MET   1  -9.298 -23.034   7.059
   21   1HB   MET   1           HB2      MET   1  -9.238 -22.512  10.038
   22   2HB   MET   1           HB3      MET   1 -10.631 -22.269   8.993
   23   1HG   MET   1           HG2      MET   1  -9.270 -24.897   9.542
   24   2HG   MET   1           HG3      MET   1 -10.799 -24.352  10.231
   25   1HE   MET   1           HE3      MET   1 -11.954 -26.615   9.434
   26   2HE   MET   1           HE2      MET   1 -11.897 -27.206   7.774
   27   3HE   MET   1           HE1      MET   1 -10.424 -27.154   8.741
   28    H    ILE   2           H        ILE   2  -9.774 -21.087   6.218
   29    HA   ILE   2           HA       ILE   2  -7.967 -18.879   6.837
   30    HB   ILE   2           HB       ILE   2  -8.877 -17.814   4.819
   31   1HG1  ILE   2          2HG1      ILE   2 -10.494 -20.354   4.502
   32   2HG1  ILE   2          3HG1      ILE   2 -11.159 -18.798   4.986
   33   1HG2  ILE   2          2HG2      ILE   2  -6.944 -19.282   4.637
   34   2HG2  ILE   2          1HG2      ILE   2  -8.006 -20.671   4.401
   35   3HG2  ILE   2          3HG2      ILE   2  -7.948 -19.390   3.191
   36   1HD1  ILE   2          1HD1      ILE   2 -10.492 -17.846   2.841
   37   2HD1  ILE   2          3HD1      ILE   2  -9.832 -19.407   2.356
   38   3HD1  ILE   2          2HD1      ILE   2 -11.563 -19.232   2.637
   39    H    ALA   3           H        ALA   3 -10.464 -19.826   8.400
   40    HA   ALA   3           HA       ALA   3 -12.494 -17.944   8.271
   41   1HB   ALA   3           HB3      ALA   3 -11.450 -19.335  10.734
   42   2HB   ALA   3           HB1      ALA   3 -12.626 -19.994   9.597
   43   3HB   ALA   3           HB2      ALA   3 -13.031 -18.574  10.562
   44    HA   PRO   4           HA       PRO   4 -10.064 -14.347   9.535
   45   1HB   PRO   4           HB2      PRO   4 -12.047 -12.527   9.155
   46   2HB   PRO   4           HB3      PRO   4 -11.071 -13.177   7.833
   47   1HG   PRO   4           HG2      PRO   4 -13.813 -13.975   8.737
   48   2HG   PRO   4           HG3      PRO   4 -13.204 -13.742   7.088
   49   1HD   PRO   4           HD2      PRO   4 -13.472 -16.192   8.198
   50   2HD   PRO   4           HD3      PRO   4 -12.184 -15.812   7.038
   51    H    LEU   5           H        LEU   5  -9.749 -13.684  11.559
   52    HA   LEU   5           HA       LEU   5 -12.061 -13.393  13.347
   53   1HB   LEU   5           HB2      LEU   5  -9.462 -14.757  14.057
   54   2HB   LEU   5           HB3      LEU   5 -10.758 -14.402  15.181
   55    HG   LEU   5           HG       LEU   5 -11.023 -16.239  12.799
   56   1HD1  LEU   5          2HD1      LEU   5  -9.470 -17.158  14.433
   57   2HD1  LEU   5          1HD1      LEU   5 -10.651 -16.898  15.717
   58   3HD1  LEU   5          3HD1      LEU   5 -10.988 -18.057  14.431
   59   1HD2  LEU   5          3HD2      LEU   5 -13.124 -15.209  13.473
   60   2HD2  LEU   5          2HD2      LEU   5 -13.109 -16.926  13.874
   61   3HD2  LEU   5          1HD2      LEU   5 -12.854 -15.721  15.138
   62    H    SER   6           H        SER   6 -10.938 -12.514  15.598
   63    HA   SER   6           HA       SER   6 -10.275  -9.846  15.040
   64   1HB   SER   6           HB2      SER   6 -11.294 -10.526  17.161
   65   2HB   SER   6           HB3      SER   6  -9.838 -11.426  17.587
   66    HG   SER   6           HG       SER   6 -10.035  -8.622  17.191
   67    H    VAL   7           H        VAL   7  -8.257 -12.621  15.896
   68    HA   VAL   7           HA       VAL   7  -5.827 -11.080  15.903
   69    HB   VAL   7           HB       VAL   7  -6.131 -14.084  15.826
   70   1HG1  VAL   7          2HG1      VAL   7  -3.901 -13.301  15.231
   71   2HG1  VAL   7          1HG1      VAL   7  -3.836 -12.332  16.703
   72   3HG1  VAL   7          3HG1      VAL   7  -3.887 -14.092  16.807
   73   1HG2  VAL   7          2HG2      VAL   7  -5.928 -12.237  18.202
   74   2HG2  VAL   7          1HG2      VAL   7  -7.340 -13.180  17.728
   75   3HG2  VAL   7          3HG2      VAL   7  -5.874 -13.998  18.267
   76    H    LYS   8           H        LYS   8  -4.212 -11.056  14.354
   77    HA   LYS   8           HA       LYS   8  -4.203 -12.635  12.020
   78   1HB   LYS   8           HB2      LYS   8  -6.169 -11.241  11.468
   79   2HB   LYS   8           HB3      LYS   8  -5.180  -9.800  11.644
   80   1HG   LYS   8           HG2      LYS   8  -5.419 -10.310   9.317
   81   2HG   LYS   8           HG3      LYS   8  -3.748 -10.601   9.800
   82   1HD   LYS   8           HD2      LYS   8  -4.214 -12.997   9.973
   83   2HD   LYS   8           HD3      LYS   8  -5.887 -12.706   9.492
   84   1HE   LYS   8           HE2      LYS   8  -4.557 -13.488   7.605
   85   2HE   LYS   8           HE3      LYS   8  -5.126 -11.840   7.341
   86   1HZ   LYS   8           HZ1      LYS   8  -2.950 -11.023   8.010
   87   2HZ   LYS   8           HZ3      LYS   8  -2.405 -12.606   8.253
   88   3HZ   LYS   8           HZ2      LYS   8  -2.816 -12.082   6.698
   89    H    ASP   9           H        ASP   9  -2.225 -12.567  11.148
   90    HA   ASP   9           HA       ASP   9  -0.163 -11.127  12.379
   91   1HB   ASP   9           HB2      ASP   9  -0.134 -12.424   9.647
   92   2HB   ASP   9           HB3      ASP   9   1.261 -12.043  10.641
   93    H    ASN  10           H        ASN  10   0.379  -9.054  12.157
   94    HA   ASN  10           HA       ASN  10  -0.244  -7.714   9.627
   95   1HB   ASN  10           HB2      ASN  10  -0.415  -5.635  11.217
   96   2HB   ASN  10           HB3      ASN  10  -1.790  -6.699  10.985
   97   1HD2  ASN  10          1HD2      ASN  10  -1.094  -4.904  13.168
   98   2HD2  ASN  10          2HD2      ASN  10  -1.060  -5.883  14.585
   99    H    ASP  11           H        ASP  11   1.224  -6.125  12.306
  100    HA   ASP  11           HA       ASP  11   3.322  -5.043  10.892
  101   1HB   ASP  11           HB2      ASP  11   4.356  -4.830  13.285
  102   2HB   ASP  11           HB3      ASP  11   2.890  -3.946  12.877
  103    H    LYS  12           H        LYS  12   4.600  -6.334   9.733
  104    HA   LYS  12           HA       LYS  12   5.838  -8.663  10.953
  105   1HB   LYS  12           HB2      LYS  12   5.004  -9.029   8.745
  106   2HB   LYS  12           HB3      LYS  12   5.790  -7.580   8.138
  107   1HG   LYS  12           HG2      LYS  12   7.187  -9.198   7.342
  108   2HG   LYS  12           HG3      LYS  12   7.965  -8.802   8.874
  109   1HD   LYS  12           HD2      LYS  12   5.960 -11.026   8.649
  110   2HD   LYS  12           HD3      LYS  12   7.669 -11.280   8.293
  111   1HE   LYS  12           HE2      LYS  12   8.230 -10.467  10.555
  112   2HE   LYS  12           HE3      LYS  12   6.508 -10.310  10.901
  113   1HZ   LYS  12           HZ3      LYS  12   7.908 -12.838  10.221
  114   2HZ   LYS  12           HZ2      LYS  12   7.396 -12.378  11.766
  115   3HZ   LYS  12           HZ1      LYS  12   6.256 -12.687  10.556
  116    H    TRP  13           H        TRP  13   7.311  -7.832  12.385
  117    HA   TRP  13           HA       TRP  13   9.156  -5.762  11.695
  118   1HB   TRP  13           HB2      TRP  13   9.482  -7.608  14.038
  119   2HB   TRP  13           HB3      TRP  13   9.857  -5.895  13.910
  120    HD1  TRP  13           HD1      TRP  13   6.835  -8.245  14.304
  121    HE1  TRP  13           HE1      TRP  13   4.878  -6.912  15.307
  122    HE3  TRP  13           HE3      TRP  13   8.947  -3.587  14.324
  123    HZ2  TRP  13           HZ2      TRP  13   4.287  -4.236  16.003
  124    HZ3  TRP  13           HZ3      TRP  13   7.625  -1.698  15.186
  125    HH2  TRP  13           HH2      TRP  13   5.350  -2.019  16.013
  126    H    VAL  14           H        VAL  14  10.606  -6.216  10.120
  127    HA   VAL  14           HA       VAL  14  12.503  -8.379  10.640
  128    HB   VAL  14           HB       VAL  14  12.347  -9.231   8.300
  129   1HG1  VAL  14          3HG1      VAL  14  11.372 -10.482  10.142
  130   2HG1  VAL  14          2HG1      VAL  14   9.873  -9.565   9.990
  131   3HG1  VAL  14          1HG1      VAL  14  10.383 -10.642   8.691
  132   1HG2  VAL  14          1HG2      VAL  14   9.802  -7.615   8.267
  133   2HG2  VAL  14          3HG2      VAL  14  11.225  -7.367   7.255
  134   3HG2  VAL  14          2HG2      VAL  14  10.251  -8.825   7.063
  135    H    ASP  15           H        ASP  15  13.950  -8.455   8.447
  136    HA   ASP  15           HA       ASP  15  14.971  -5.713   8.156
  137   1HB   ASP  15           HB2      ASP  15  16.223  -8.402   8.339
  138   2HB   ASP  15           HB3      ASP  15  17.026  -7.210   7.317
  139    H    THR  16           H        THR  16  16.400  -5.647   5.973
  140    HA   THR  16           HA       THR  16  15.481  -7.101   3.739
  141    HB   THR  16           HB       THR  16  13.447  -5.629   4.378
  142    HG1  THR  16           HG1      THR  16  13.269  -6.598   2.444
  143   1HG2  THR  16          3HG2      THR  16  14.750  -3.537   4.625
  144   2HG2  THR  16          2HG2      THR  16  15.093  -3.584   2.896
  145   3HG2  THR  16          1HG2      THR  16  13.434  -3.395   3.461
  146    H    HIS  17           H        HIS  17  15.818  -5.549   1.641
  147    HA   HIS  17           HA       HIS  17  18.432  -4.242   2.019
  148   1HB   HIS  17           HB2      HIS  17  17.447  -5.821  -0.368
  149   2HB   HIS  17           HB3      HIS  17  18.983  -4.966  -0.286
  150    HD1  HIS  17           HD1      HIS  17  20.919  -6.196   0.715
  151    HD2  HIS  17           HD2      HIS  17  17.288  -8.073   1.458
  152    HE1  HIS  17           HE1      HIS  17  21.506  -8.405   1.762
  153    HE2  HIS  17           HE2      HIS  17  19.296  -9.555   2.135
  154    H    VAL  18           H        VAL  18  18.773  -3.041  -0.389
  155    HA   VAL  18           HA       VAL  18  16.886  -0.869  -0.219
  156    HB   VAL  18           HB       VAL  18  19.200  -1.235  -2.126
  157   1HG1  VAL  18          2HG1      VAL  18  17.588   1.213  -1.407
  158   2HG1  VAL  18          1HG1      VAL  18  19.037   1.204  -2.414
  159   3HG1  VAL  18          3HG1      VAL  18  17.580   0.371  -2.957
  160   1HG2  VAL  18          2HG2      VAL  18  19.911  -1.233   0.219
  161   2HG2  VAL  18          1HG2      VAL  18  20.439   0.227  -0.618
  162   3HG2  VAL  18          3HG2      VAL  18  19.056   0.288   0.476
  163    H    GLY  19           H        GLY  19  15.142  -0.577  -1.389
  164   1HA   GLY  19           HA3      GLY  19  14.894  -1.180  -4.143
  165   2HA   GLY  19           HA2      GLY  19  13.597  -0.704  -3.067
  166    H    LYS  20           H        LYS  20  14.440  -3.157  -1.362
  167    HA   LYS  20           HA       LYS  20  13.947  -5.472  -2.849
  168   1HB   LYS  20           HB2      LYS  20  14.674  -5.074  -0.330
  169   2HB   LYS  20           HB3      LYS  20  12.958  -5.283  -0.038
  170   1HG   LYS  20           HG2      LYS  20  13.506  -7.443   0.136
  171   2HG   LYS  20           HG3      LYS  20  13.441  -7.403  -1.630
  172   1HD   LYS  20           HD2      LYS  20  15.799  -7.067  -1.776
  173   2HD   LYS  20           HD3      LYS  20  15.917  -6.835  -0.032
  174   1HE   LYS  20           HE2      LYS  20  16.691  -9.062  -0.676
  175   2HE   LYS  20           HE3      LYS  20  15.246  -9.156   0.330
  176   1HZ   LYS  20           HZ3      LYS  20  15.308  -9.393  -2.631
  177   2HZ   LYS  20           HZ2      LYS  20  15.119 -10.674  -1.542
  178   3HZ   LYS  20           HZ1      LYS  20  13.922  -9.484  -1.665
  179    H    THR  21           H        THR  21  12.263  -4.974  -4.306
  180    HA   THR  21           HA       THR  21   9.760  -3.957  -3.665
  181    HB   THR  21           HB       THR  21  10.117  -6.047  -5.798
  182    HG1  THR  21           HG1      THR  21  11.232  -4.649  -7.003
  183   1HG2  THR  21          1HG2      THR  21   7.864  -5.152  -5.412
  184   2HG2  THR  21          3HG2      THR  21   8.474  -3.514  -5.647
  185   3HG2  THR  21          2HG2      THR  21   8.488  -4.662  -6.987
  186    H    THR  22           H        THR  22   8.764  -4.777  -1.893
  187    HA   THR  22           HA       THR  22   8.325  -7.664  -1.732
  188    HB   THR  22           HB       THR  22   7.712  -5.480   0.273
  189    HG1  THR  22           HG1      THR  22   9.811  -5.749   0.547
  190   1HG2  THR  22          2HG2      THR  22   7.488  -8.482   0.530
  191   2HG2  THR  22          1HG2      THR  22   7.299  -7.326   1.849
  192   3HG2  THR  22          3HG2      THR  22   6.149  -7.335   0.512
  193    H    GLU  23           H        GLU  23   6.724  -8.258  -3.020
  194    HA   GLU  23           HA       GLU  23   4.364  -6.676  -3.408
  195   1HB   GLU  23           HB2      GLU  23   5.379  -8.013  -5.215
  196   2HB   GLU  23           HB3      GLU  23   5.050  -9.478  -4.302
  197   1HG   GLU  23           HG2      GLU  23   2.698  -9.175  -4.517
  198   2HG   GLU  23           HG3      GLU  23   2.927  -7.565  -5.197
  199    H    ILE  24           H        ILE  24   2.484  -6.867  -2.378
  200    HA   ILE  24           HA       ILE  24   1.983  -9.270  -0.778
  201    HB   ILE  24           HB       ILE  24   1.526  -6.469   0.217
  202   1HG1  ILE  24          2HG1      ILE  24   3.634  -8.486   1.008
  203   2HG1  ILE  24          3HG1      ILE  24   3.922  -7.003   0.108
  204   1HG2  ILE  24          3HG2      ILE  24  -0.076  -8.123   1.049
  205   2HG2  ILE  24          2HG2      ILE  24   1.260  -9.130   1.610
  206   3HG2  ILE  24          1HG2      ILE  24   0.984  -7.547   2.336
  207   1HD1  ILE  24          1HD1      ILE  24   2.920  -7.173   2.937
  208   2HD1  ILE  24          3HD1      ILE  24   4.558  -6.760   2.434
  209   3HD1  ILE  24          2HD1      ILE  24   3.217  -5.689   2.031
  210    H    HIS  25           H        HIS  25   0.291 -10.087  -1.831
  211    HA   HIS  25           HA       HIS  25  -1.862  -8.398  -2.776
  212   1HB   HIS  25           HB2      HIS  25  -1.991 -11.389  -2.715
  213   2HB   HIS  25           HB3      HIS  25  -2.675 -10.274  -3.886
  214    HD1  HIS  25           HD1      HIS  25  -0.038 -12.632  -3.566
  215    HD2  HIS  25           HD2      HIS  25  -0.452  -8.945  -5.436
  216    HE1  HIS  25           HE1      HIS  25   1.786 -12.546  -5.293
  217    HE2  HIS  25           HE2      HIS  25   1.428 -10.365  -6.501
  218    H    LEU  26           H        LEU  26  -3.007  -7.588  -1.098
  219    HA   LEU  26           HA       LEU  26  -3.761  -9.357   1.110
  220   1HB   LEU  26           HB2      LEU  26  -4.167  -6.390   0.787
  221   2HB   LEU  26           HB3      LEU  26  -4.504  -7.317   2.234
  222    HG   LEU  26           HG       LEU  26  -1.733  -7.146   1.072
  223   1HD1  LEU  26          3HD1      LEU  26  -2.985  -5.323   3.122
  224   2HD1  LEU  26          2HD1      LEU  26  -1.278  -5.355   2.674
  225   3HD1  LEU  26          1HD1      LEU  26  -2.492  -4.869   1.490
  226   1HD2  LEU  26          1HD2      LEU  26  -2.298  -8.931   2.728
  227   2HD2  LEU  26          3HD2      LEU  26  -1.027  -7.826   3.247
  228   3HD2  LEU  26          2HD2      LEU  26  -2.659  -7.656   3.893
  229    H    LYS  27           H        LYS  27  -5.923  -9.642   1.731
  230    HA   LYS  27           HA       LYS  27  -7.828  -9.207  -0.461
  231   1HB   LYS  27           HB2      LYS  27  -8.253 -11.072   1.857
  232   2HB   LYS  27           HB3      LYS  27  -9.046 -11.081   0.291
  233   1HG   LYS  27           HG2      LYS  27  -6.844 -11.671  -0.735
  234   2HG   LYS  27           HG3      LYS  27  -6.207 -11.861   0.900
  235   1HD   LYS  27           HD2      LYS  27  -8.574 -13.373  -0.200
  236   2HD   LYS  27           HD3      LYS  27  -6.926 -14.000  -0.132
  237   1HE   LYS  27           HE2      LYS  27  -8.599 -13.148   2.227
  238   2HE   LYS  27           HE3      LYS  27  -8.255 -14.809   1.747
  239   1HZ   LYS  27           HZ2      LYS  27  -6.233 -12.807   2.600
  240   2HZ   LYS  27           HZ1      LYS  27  -6.813 -14.085   3.545
  241   3HZ   LYS  27           HZ3      LYS  27  -5.909 -14.405   2.151
  242    H    GLY  28           H        GLY  28 -10.091  -8.786   0.179
  243   1HA   GLY  28           HA3      GLY  28 -10.245  -6.463   1.760
  244   2HA   GLY  28           HA2      GLY  28 -10.819  -7.825   2.707
  245    H    ASN  29           H        ASN  29 -12.176  -5.408   1.558
  246    HA   ASN  29           HA       ASN  29 -13.885  -6.184  -0.544
  247   1HB   ASN  29           HB2      ASN  29 -14.673  -7.782   1.215
  248   2HB   ASN  29           HB3      ASN  29 -15.141  -6.399   2.199
  249   1HD2  ASN  29          1HD2      ASN  29 -17.295  -6.964   2.206
  250   2HD2  ASN  29          2HD2      ASN  29 -18.301  -6.809   0.810
  251    HA   PRO  30           HA       PRO  30 -13.736  -1.656   0.252
  252   1HB   PRO  30           HB2      PRO  30 -14.667  -1.108  -2.308
  253   2HB   PRO  30           HB3      PRO  30 -12.969  -1.207  -1.837
  254   1HG   PRO  30           HG2      PRO  30 -14.701  -3.261  -3.136
  255   2HG   PRO  30           HG3      PRO  30 -12.995  -2.879  -3.434
  256   1HD   PRO  30           HD2      PRO  30 -13.708  -5.030  -2.014
  257   2HD   PRO  30           HD3      PRO  30 -12.276  -4.076  -1.577
  258    H    THR  31           H        THR  31 -16.305  -3.752  -0.805
  259    HA   THR  31           HA       THR  31 -18.367  -1.776  -0.778
  260    HB   THR  31           HB       THR  31 -19.935  -3.622  -0.934
  261    HG1  THR  31           HG1      THR  31 -19.329  -5.703  -0.571
  262   1HG2  THR  31          2HG2      THR  31 -17.468  -4.114  -2.606
  263   2HG2  THR  31          1HG2      THR  31 -19.089  -4.706  -2.967
  264   3HG2  THR  31          3HG2      THR  31 -18.761  -2.973  -2.976
  265    H    THR  32           H        THR  32 -16.552  -2.856   1.693
  266    HA   THR  32           HA       THR  32 -18.696  -3.145   3.644
  267    HB   THR  32           HB       THR  32 -16.911  -3.554   5.282
  268    HG1  THR  32           HG1      THR  32 -15.230  -2.311   4.505
  269   1HG2  THR  32          1HG2      THR  32 -16.578  -5.134   2.729
  270   2HG2  THR  32          3HG2      THR  32 -16.049  -5.648   4.330
  271   3HG2  THR  32          2HG2      THR  32 -17.768  -5.442   3.994
  272    H    GLY  33           H        GLY  33 -15.852  -1.045   3.156
  273   1HA   GLY  33           HA3      GLY  33 -16.916   0.858   5.094
  274   2HA   GLY  33           HA2      GLY  33 -16.837   1.408   3.427
  275    H    TYR  34           H        TYR  34 -14.517  -0.683   5.087
  276    HA   TYR  34           HA       TYR  34 -12.625   1.490   5.383
  277   1HB   TYR  34           HB2      TYR  34 -12.408  -1.453   6.024
  278   2HB   TYR  34           HB3      TYR  34 -11.148  -0.272   6.355
  279    HD1  TYR  34           HD1      TYR  34 -14.613  -1.252   7.200
  280    HD2  TYR  34           HD2      TYR  34 -11.235   1.101   8.292
  281    HE1  TYR  34           HE1      TYR  34 -15.660  -0.766   9.372
  282    HE2  TYR  34           HE2      TYR  34 -12.275   1.591  10.464
  283    HH   TYR  34           HH       TYR  34 -14.977  -0.092  11.635
  284    H    MET  35           H        MET  35 -10.254   0.817   4.796
  285    HA   MET  35           HA       MET  35 -10.080  -0.444   2.182
  286   1HB   MET  35           HB2      MET  35 -10.247   1.722   1.388
  287   2HB   MET  35           HB3      MET  35  -9.542   2.416   2.845
  288   1HG   MET  35           HG2      MET  35  -7.351   1.549   2.169
  289   2HG   MET  35           HG3      MET  35  -8.072   0.938   0.697
  290   1HE   MET  35           HE2      MET  35 -10.115   3.139  -0.107
  291   2HE   MET  35           HE1      MET  35  -9.175   4.245  -1.108
  292   3HE   MET  35           HE3      MET  35  -8.981   2.503  -1.300
  293    H    TRP  36           H        TRP  36  -8.006  -1.187   1.698
  294    HA   TRP  36           HA       TRP  36  -6.212  -1.312   4.016
  295   1HB   TRP  36           HB2      TRP  36  -6.935  -3.193   1.900
  296   2HB   TRP  36           HB3      TRP  36  -5.206  -3.072   2.169
  297    HD1  TRP  36           HD1      TRP  36  -8.002  -5.059   3.275
  298    HE1  TRP  36           HE1      TRP  36  -7.570  -6.137   5.574
  299    HE3  TRP  36           HE3      TRP  36  -3.987  -2.261   4.742
  300    HZ2  TRP  36           HZ2      TRP  36  -5.766  -5.837   7.720
  301    HZ3  TRP  36           HZ3      TRP  36  -2.968  -2.719   6.930
  302    HH2  TRP  36           HH2      TRP  36  -3.844  -4.469   8.387
  303    H    THR  37           H        THR  37  -5.369   0.773   3.657
  304    HA   THR  37           HA       THR  37  -3.454   0.886   1.416
  305    HB   THR  37           HB       THR  37  -5.391   2.380   0.985
  306    HG1  THR  37           HG1      THR  37  -3.379   3.019   0.165
  307   1HG2  THR  37          2HG2      THR  37  -4.454   3.735   3.523
  308   2HG2  THR  37          1HG2      THR  37  -5.636   4.402   2.395
  309   3HG2  THR  37          3HG2      THR  37  -5.997   2.917   3.273
  310    H    ARG  38           H        ARG  38  -2.059   3.168   2.079
  311    HA   ARG  38           HA       ARG  38  -0.725   2.281   4.492
  312   1HB   ARG  38           HB2      ARG  38   0.010   3.967   2.186
  313   2HB   ARG  38           HB3      ARG  38   0.712   4.438   3.720
  314   1HG   ARG  38           HG2      ARG  38   1.790   2.383   3.991
  315   2HG   ARG  38           HG3      ARG  38   0.887   1.655   2.661
  316   1HD   ARG  38           HD2      ARG  38   3.258   2.338   2.162
  317   2HD   ARG  38           HD3      ARG  38   2.053   2.910   1.050
  318    HE   ARG  38           HE       ARG  38   2.315   5.092   1.991
  319   1HH1  ARG  38          1HH1      ARG  38   4.584   2.718   3.155
  320   2HH1  ARG  38          2HH1      ARG  38   5.767   3.889   3.633
  321   1HH2  ARG  38          1HH2      ARG  38   3.887   6.645   2.603
  322   2HH2  ARG  38          2HH2      ARG  38   5.369   6.117   3.323
  323    H    VAL  39           H        VAL  39  -0.414   3.474   6.341
  324    HA   VAL  39           HA       VAL  39  -2.541   5.050   7.229
  325    HB   VAL  39           HB       VAL  39   0.234   5.028   8.415
  326   1HG1  VAL  39          3HG1      VAL  39  -2.479   5.499   9.645
  327   2HG1  VAL  39          2HG1      VAL  39  -0.952   5.436  10.524
  328   3HG1  VAL  39          1HG1      VAL  39  -1.240   6.718   9.348
  329   1HG2  VAL  39          1HG2      VAL  39  -0.736   2.736   7.952
  330   2HG2  VAL  39          3HG2      VAL  39  -0.301   3.076   9.627
  331   3HG2  VAL  39          2HG2      VAL  39  -1.992   3.135   9.125
  332    H    GLY  40           H        GLY  40  -2.803   7.227   7.594
  333   1HA   GLY  40           HA3      GLY  40  -0.791   9.180   7.214
  334   2HA   GLY  40           HA2      GLY  40  -2.515   9.488   7.333
  335    H    PHE  41           H        PHE  41  -2.959   7.629   4.986
  336    HA   PHE  41           HA       PHE  41  -2.363   9.643   2.942
  337   1HB   PHE  41           HB2      PHE  41  -1.809   6.683   2.709
  338   2HB   PHE  41           HB3      PHE  41  -1.819   7.785   1.339
  339    HD1  PHE  41           HD1      PHE  41  -0.350  10.014   1.861
  340    HD2  PHE  41           HD2      PHE  41   0.247   6.146   3.525
  341    HE1  PHE  41           HE1      PHE  41   2.003  10.576   2.306
  342    HE2  PHE  41           HE2      PHE  41   2.600   6.700   3.978
  343    HZ   PHE  41           HZ       PHE  41   3.482   8.918   3.369
  344    H    VAL  42           H        VAL  42  -4.233   6.835   3.922
  345    HA   VAL  42           HA       VAL  42  -5.995   6.111   2.209
  346    HB   VAL  42           HB       VAL  42  -6.358   5.748   4.593
  347   1HG1  VAL  42          1HG1      VAL  42  -5.982   8.059   5.347
  348   2HG1  VAL  42          3HG1      VAL  42  -7.534   8.523   4.650
  349   3HG1  VAL  42          2HG1      VAL  42  -7.476   7.377   5.989
  350   1HG2  VAL  42          1HG2      VAL  42  -8.736   6.819   3.090
  351   2HG2  VAL  42          3HG2      VAL  42  -8.159   5.154   3.141
  352   3HG2  VAL  42          2HG2      VAL  42  -8.845   5.893   4.588
  353    H    GLY  43           H        GLY  43  -7.015   6.903   0.511
  354   1HA   GLY  43           HA3      GLY  43  -8.411   9.468   0.710
  355   2HA   GLY  43           HA2      GLY  43  -8.615   8.270  -0.562
  356    H    LYS  44           H        LYS  44  -5.441   8.356  -0.298
  357    HA   LYS  44           HA       LYS  44  -4.859  10.820  -1.695
  358   1HB   LYS  44           HB2      LYS  44  -2.585  10.237  -1.358
  359   2HB   LYS  44           HB3      LYS  44  -3.422   9.797   0.118
  360   1HG   LYS  44           HG2      LYS  44  -2.630   7.898  -2.080
  361   2HG   LYS  44           HG3      LYS  44  -1.804   8.108  -0.541
  362   1HD   LYS  44           HD2      LYS  44  -3.068   6.374   0.112
  363   2HD   LYS  44           HD3      LYS  44  -4.312   7.602   0.316
  364   1HE   LYS  44           HE2      LYS  44  -5.038   5.570  -0.951
  365   2HE   LYS  44           HE3      LYS  44  -5.284   7.099  -1.791
  366   1HZ   LYS  44           HZ1      LYS  44  -3.190   6.667  -2.999
  367   2HZ   LYS  44           HZ3      LYS  44  -3.105   5.143  -2.270
  368   3HZ   LYS  44           HZ2      LYS  44  -4.384   5.511  -3.310
  369    H    ASP  45           H        ASP  45  -2.783  10.049  -3.302
  370    HA   ASP  45           HA       ASP  45  -4.063   8.408  -5.376
  371   1HB   ASP  45           HB2      ASP  45  -2.386  10.892  -5.493
  372   2HB   ASP  45           HB3      ASP  45  -2.388   9.778  -6.850
  373    H    VAL  46           H        VAL  46  -1.173   9.147  -3.576
  374    HA   VAL  46           HA       VAL  46  -0.034   6.558  -4.288
  375    HB   VAL  46           HB       VAL  46   1.199   9.187  -4.939
  376   1HG1  VAL  46          1HG1      VAL  46   2.784   6.802  -3.990
  377   2HG1  VAL  46          3HG1      VAL  46   3.467   8.168  -4.873
  378   3HG1  VAL  46          2HG1      VAL  46   2.758   8.415  -3.278
  379   1HG2  VAL  46          1HG2      VAL  46   0.292   7.679  -6.658
  380   2HG2  VAL  46          3HG2      VAL  46   2.024   7.958  -6.854
  381   3HG2  VAL  46          2HG2      VAL  46   1.448   6.443  -6.155
  382    H    LEU  47           H        LEU  47   0.529   5.552  -2.523
  383    HA   LEU  47           HA       LEU  47   0.507   6.786   0.029
  384   1HB   LEU  47           HB2      LEU  47   1.845   4.178  -0.362
  385   2HB   LEU  47           HB3      LEU  47   0.720   4.679   0.878
  386    HG   LEU  47           HG       LEU  47  -0.012   3.986  -1.967
  387   1HD1  LEU  47          3HD1      LEU  47  -0.374   2.467   0.610
  388   2HD1  LEU  47          2HD1      LEU  47  -1.101   2.025  -0.935
  389   3HD1  LEU  47          1HD1      LEU  47   0.653   2.013  -0.750
  390   1HD2  LEU  47          3HD2      LEU  47  -1.734   4.677   0.405
  391   2HD2  LEU  47          2HD2      LEU  47  -1.504   5.657  -1.043
  392   3HD2  LEU  47          1HD2      LEU  47  -2.322   4.096  -1.153
  393    H    SER  48           H        SER  48   3.114   5.220  -1.791
  394    HA   SER  48           HA       SER  48   5.278   5.788  -0.232
  395   1HB   SER  48           HB2      SER  48   6.614   5.437  -2.164
  396   2HB   SER  48           HB3      SER  48   5.170   4.457  -2.391
  397    HG   SER  48           HG       SER  48   6.117   6.290  -4.009
  398    H    ASP  49           H        ASP  49   7.151   7.323  -1.033
  399    HA   ASP  49           HA       ASP  49   6.325   9.903  -1.977
  400   1HB   ASP  49           HB2      ASP  49   5.775   9.632   0.621
  401   2HB   ASP  49           HB3      ASP  49   7.480  10.059   0.758
  402    H    GLU  50           H        GLU  50   8.836   9.056   0.364
  403    HA   GLU  50           HA       GLU  50  10.871   9.356  -1.723
  404   1HB   GLU  50           HB2      GLU  50  12.171  10.834  -0.314
  405   2HB   GLU  50           HB3      GLU  50  10.560  11.501  -0.549
  406   1HG   GLU  50           HG2      GLU  50   9.884  10.722   1.639
  407   2HG   GLU  50           HG3      GLU  50  11.478  10.010   1.892
  408    H    ILE  51           H        ILE  51  10.023   8.245   1.511
  409    HA   ILE  51           HA       ILE  51  12.472   6.872   2.002
  410    HB   ILE  51           HB       ILE  51   9.783   6.360   3.269
  411   1HG1  ILE  51          2HG1      ILE  51  10.466   8.751   3.365
  412   2HG1  ILE  51          3HG1      ILE  51  10.384   7.983   4.946
  413   1HG2  ILE  51          1HG2      ILE  51  12.599   5.789   4.178
  414   2HG2  ILE  51          3HG2      ILE  51  11.162   5.609   5.188
  415   3HG2  ILE  51          2HG2      ILE  51  11.359   4.611   3.747
  416   1HD1  ILE  51          2HD1      ILE  51  12.908   8.447   3.375
  417   2HD1  ILE  51          1HD1      ILE  51  12.333   9.450   4.709
  418   3HD1  ILE  51          3HD1      ILE  51  12.793   7.772   5.000
  419    H    LEU  52           H        LEU  52   9.312   5.304   1.970
  420    HA   LEU  52           HA       LEU  52  10.510   3.024   0.573
  421   1HB   LEU  52           HB2      LEU  52   8.191   3.396   2.400
  422   2HB   LEU  52           HB3      LEU  52   8.103   2.098   1.225
  423    HG   LEU  52           HG       LEU  52  10.426   2.378   3.111
  424   1HD1  LEU  52          1HD1      LEU  52   7.874   0.835   3.542
  425   2HD1  LEU  52          3HD1      LEU  52   9.319   0.735   4.547
  426   3HD1  LEU  52          2HD1      LEU  52   8.409   2.243   4.460
  427   1HD2  LEU  52          2HD2      LEU  52  10.525   0.933   1.023
  428   2HD2  LEU  52          1HD2      LEU  52  10.900   0.143   2.556
  429   3HD2  LEU  52          3HD2      LEU  52   9.322  -0.089   1.807
  430    H    GLU  53           H        GLU  53  10.285   3.002  -1.587
  431    HA   GLU  53           HA       GLU  53   8.262   4.434  -2.972
  432   1HB   GLU  53           HB2      GLU  53  10.520   2.706  -3.651
  433   2HB   GLU  53           HB3      GLU  53   9.154   2.497  -4.737
  434   1HG   GLU  53           HG2      GLU  53   9.907   5.269  -4.132
  435   2HG   GLU  53           HG3      GLU  53  11.075   4.330  -5.060
  436    H    VAL  54           H        VAL  54   6.540   3.490  -1.541
  437    HA   VAL  54           HA       VAL  54   5.737   0.787  -1.929
  438    HB   VAL  54           HB       VAL  54   4.023   3.027  -0.874
  439   1HG1  VAL  54          3HG1      VAL  54   2.870   0.940  -1.402
  440   2HG1  VAL  54          2HG1      VAL  54   4.000   0.052  -0.380
  441   3HG1  VAL  54          1HG1      VAL  54   2.902   1.231   0.336
  442   1HG2  VAL  54          2HG2      VAL  54   6.235   1.493   0.424
  443   2HG2  VAL  54          1HG2      VAL  54   5.875   3.216   0.502
  444   3HG2  VAL  54          3HG2      VAL  54   4.870   2.064   1.380
  445    H    VAL  55           H        VAL  55   5.609   0.635  -4.221
  446    HA   VAL  55           HA       VAL  55   3.626   2.187  -5.623
  447    HB   VAL  55           HB       VAL  55   5.031  -0.299  -6.582
  448   1HG1  VAL  55          1HG1      VAL  55   2.971   0.498  -7.781
  449   2HG1  VAL  55          3HG1      VAL  55   3.864   1.966  -8.182
  450   3HG1  VAL  55          2HG1      VAL  55   4.429   0.402  -8.772
  451   1HG2  VAL  55          2HG2      VAL  55   5.873   2.586  -6.866
  452   2HG2  VAL  55          1HG2      VAL  55   6.694   1.349  -5.914
  453   3HG2  VAL  55          3HG2      VAL  55   6.638   1.216  -7.672
  454    H    CYS  56           H        CYS  56   1.788   1.726  -4.453
  455    HA   CYS  56           HA       CYS  56   0.828  -1.039  -4.471
  456   1HB   CYS  56           HB2      CYS  56   0.782  -0.066  -2.281
  457   2HB   CYS  56           HB3      CYS  56  -0.043   1.370  -2.877
  458    HG   CYS  56           HG       CYS  56  -1.576  -1.644  -3.189
  459    H    LYS  57           H        LYS  57  -1.107  -1.614  -5.339
  460    HA   LYS  57           HA       LYS  57  -2.566   0.424  -6.866
  461   1HB   LYS  57           HB2      LYS  57  -2.270  -2.366  -7.903
  462   2HB   LYS  57           HB3      LYS  57  -2.669  -0.899  -8.780
  463   1HG   LYS  57           HG2      LYS  57   0.039  -1.449  -7.588
  464   2HG   LYS  57           HG3      LYS  57  -0.401  -1.818  -9.257
  465   1HD   LYS  57           HD2      LYS  57  -0.607   0.933  -8.042
  466   2HD   LYS  57           HD3      LYS  57   0.804   0.360  -8.935
  467   1HE   LYS  57           HE2      LYS  57  -0.589  -0.018 -10.903
  468   2HE   LYS  57           HE3      LYS  57  -2.008   0.532 -10.013
  469   1HZ   LYS  57           HZ2      LYS  57   0.386   2.177 -10.635
  470   2HZ   LYS  57           HZ1      LYS  57  -1.110   2.278 -11.418
  471   3HZ   LYS  57           HZ3      LYS  57  -0.979   2.706  -9.786
  472    H    TYR  58           H        TYR  58  -4.433   0.563  -5.825
  473    HA   TYR  58           HA       TYR  58  -5.628  -1.712  -4.516
  474   1HB   TYR  58           HB2      TYR  58  -5.759   0.647  -3.612
  475   2HB   TYR  58           HB3      TYR  58  -6.837   1.034  -4.949
  476    HD1  TYR  58           HD1      TYR  58  -7.153   0.986  -1.758
  477    HD2  TYR  58           HD2      TYR  58  -8.480  -1.511  -4.959
  478    HE1  TYR  58           HE1      TYR  58  -9.096   0.267  -0.423
  479    HE2  TYR  58           HE2      TYR  58 -10.396  -2.244  -3.626
  480    HH   TYR  58           HH       TYR  58 -11.045  -2.378  -1.256
  481    H    THR  59           H        THR  59  -6.542  -3.213  -5.743
  482    HA   THR  59           HA       THR  59  -8.134  -2.361  -8.074
  483    HB   THR  59           HB       THR  59  -6.918  -5.089  -7.594
  484    HG1  THR  59           HG1      THR  59  -5.146  -4.033  -8.148
  485   1HG2  THR  59          3HG2      THR  59  -8.881  -5.107  -9.051
  486   2HG2  THR  59          2HG2      THR  59  -8.162  -3.846 -10.053
  487   3HG2  THR  59          1HG2      THR  59  -7.416  -5.442  -9.972
  488    HA   PRO  60           HA       PRO  60 -11.445  -4.285  -5.710
  489   1HB   PRO  60           HB2      PRO  60 -13.373  -2.652  -6.522
  490   2HB   PRO  60           HB3      PRO  60 -12.092  -2.055  -5.467
  491   1HG   PRO  60           HG2      PRO  60 -12.542  -1.570  -8.354
  492   2HG   PRO  60           HG3      PRO  60 -11.721  -0.553  -7.157
  493   1HD   PRO  60           HD2      PRO  60 -10.557  -2.383  -9.037
  494   2HD   PRO  60           HD3      PRO  60  -9.731  -1.348  -7.855
  495    H    THR  61           H        THR  61 -10.540  -5.652  -7.979
  496    HA   THR  61           HA       THR  61 -12.101  -5.908 -10.189
  497    HB   THR  61           HB       THR  61 -11.496  -8.546  -9.384
  498    HG1  THR  61           HG1      THR  61  -9.214  -6.955  -8.966
  499   1HG2  THR  61          1HG2      THR  61  -9.966  -6.613 -11.124
  500   2HG2  THR  61          3HG2      THR  61  -9.744  -8.362 -11.101
  501   3HG2  THR  61          2HG2      THR  61 -11.271  -7.675 -11.651
  502    HA   PRO  62           HA       PRO  62 -16.171  -7.295  -9.269
  503   1HB   PRO  62           HB2      PRO  62 -15.657  -9.583 -11.111
  504   2HB   PRO  62           HB3      PRO  62 -16.983  -8.415 -11.110
  505   1HG   PRO  62           HG2      PRO  62 -15.025  -8.214 -12.893
  506   2HG   PRO  62           HG3      PRO  62 -15.698  -6.762 -12.128
  507   1HD   PRO  62           HD2      PRO  62 -13.121  -8.171 -11.582
  508   2HD   PRO  62           HD3      PRO  62 -13.477  -6.432 -11.588
  509    H    SER  63           H        SER  63 -16.749  -8.256  -7.449
  510    HA   SER  63           HA       SER  63 -15.252 -10.314  -6.212
  511   1HB   SER  63           HB2      SER  63 -16.539  -8.714  -4.894
  512   2HB   SER  63           HB3      SER  63 -18.040  -9.294  -5.615
  513    HG   SER  63           HG       SER  63 -17.885 -10.366  -3.721
  514    H    SER  64           H        SER  64 -16.496 -12.326  -5.345
  515    HA   SER  64           HA       SER  64 -17.296 -13.838  -7.674
  516   1HB   SER  64           HB2      SER  64 -16.993 -14.679  -4.780
  517   2HB   SER  64           HB3      SER  64 -17.276 -15.772  -6.135
  518    HG   SER  64           HG       SER  64 -14.963 -14.696  -5.272
  519    H    THR  65           H        THR  65 -19.016 -11.702  -6.274
  520    HA   THR  65           HA       THR  65 -21.240 -12.873  -5.073
  521    HB   THR  65           HB       THR  65 -22.489 -10.851  -5.758
  522    HG1  THR  65           HG1      THR  65 -21.799 -10.167  -7.673
  523   1HG2  THR  65          2HG2      THR  65 -19.683 -10.303  -4.779
  524   2HG2  THR  65          1HG2      THR  65 -21.060  -9.214  -4.613
  525   3HG2  THR  65          3HG2      THR  65 -21.058 -10.767  -3.777
  526    HA   PRO  66           HA       PRO  66 -23.409 -14.830  -8.383
  527   1HB   PRO  66           HB2      PRO  66 -25.948 -14.727  -7.539
  528   2HB   PRO  66           HB3      PRO  66 -24.732 -15.679  -6.674
  529   1HG   PRO  66           HG2      PRO  66 -25.737 -12.908  -6.079
  530   2HG   PRO  66           HG3      PRO  66 -25.541 -14.279  -4.966
  531   1HD   PRO  66           HD2      PRO  66 -23.709 -12.294  -5.181
  532   2HD   PRO  66           HD3      PRO  66 -23.256 -13.969  -4.807
  533    H    MET  67           H        MET  67 -23.308 -11.658  -8.142
  534    HA   MET  67           HA       MET  67 -24.437 -11.153 -10.674
  535   1HB   MET  67           HB2      MET  67 -26.554 -11.347  -9.464
  536   2HB   MET  67           HB3      MET  67 -26.024 -10.114  -8.327
  537   1HG   MET  67           HG2      MET  67 -27.542  -9.154  -9.922
  538   2HG   MET  67           HG3      MET  67 -25.926  -8.489 -10.159
  539   1HE   MET  67           HE3      MET  67 -27.257 -12.032 -11.255
  540   2HE   MET  67           HE2      MET  67 -28.642 -10.973 -11.516
  541   3HE   MET  67           HE1      MET  67 -27.811 -11.693 -12.895
  542    H    VAL  68           H        VAL  68 -24.805  -8.838  -8.094
  543    HA   VAL  68           HA       VAL  68 -22.808  -7.134  -9.354
  544    HB   VAL  68           HB       VAL  68 -24.667  -6.514  -7.054
  545   1HG1  VAL  68          3HG1      VAL  68 -22.967  -4.715  -8.776
  546   2HG1  VAL  68          2HG1      VAL  68 -24.141  -4.168  -7.581
  547   3HG1  VAL  68          1HG1      VAL  68 -22.718  -5.074  -7.069
  548   1HG2  VAL  68          2HG2      VAL  68 -24.931  -5.895  -9.994
  549   2HG2  VAL  68          1HG2      VAL  68 -25.927  -7.016  -9.067
  550   3HG2  VAL  68          3HG2      VAL  68 -25.991  -5.288  -8.723
  551    H    GLY  69           H        GLY  69 -20.811  -6.871  -8.606
  552   1HA   GLY  69           HA3      GLY  69 -19.660  -8.375  -6.601
  553   2HA   GLY  69           HA2      GLY  69 -20.164  -6.881  -5.827
  554    H    VAL  70           H        VAL  70 -18.373  -5.724  -5.507
  555    HA   VAL  70           HA       VAL  70 -16.362  -5.595  -7.641
  556    HB   VAL  70           HB       VAL  70 -17.439  -3.160  -6.206
  557   1HG1  VAL  70          3HG1      VAL  70 -15.394  -3.420  -8.411
  558   2HG1  VAL  70          2HG1      VAL  70 -16.034  -1.901  -7.782
  559   3HG1  VAL  70          1HG1      VAL  70 -15.077  -2.953  -6.740
  560   1HG2  VAL  70          2HG2      VAL  70 -19.046  -4.028  -7.824
  561   2HG2  VAL  70          1HG2      VAL  70 -18.351  -2.503  -8.377
  562   3HG2  VAL  70          3HG2      VAL  70 -17.800  -4.028  -9.072
  563    H    GLY  71           H        GLY  71 -15.282  -7.069  -6.139
  564   1HA   GLY  71           HA3      GLY  71 -14.542  -7.067  -3.664
  565   2HA   GLY  71           HA2      GLY  71 -13.783  -5.552  -4.120
  566    H    GLY  72           H        GLY  72 -11.724  -5.667  -4.712
  567   1HA   GLY  72           HA3      GLY  72 -10.055  -6.607  -6.209
  568   2HA   GLY  72           HA2      GLY  72 -10.743  -8.188  -5.892
  569    H    ILE  73           H        ILE  73  -8.161  -6.319  -5.277
  570    HA   ILE  73           HA       ILE  73  -7.764  -7.154  -2.522
  571    HB   ILE  73           HB       ILE  73  -5.552  -8.112  -3.023
  572   1HG1  ILE  73          2HG1      ILE  73  -6.307  -8.495  -5.875
  573   2HG1  ILE  73          3HG1      ILE  73  -5.593  -6.958  -5.385
  574   1HG2  ILE  73          1HG2      ILE  73  -7.555  -9.518  -2.682
  575   2HG2  ILE  73          3HG2      ILE  73  -7.729  -9.611  -4.437
  576   3HG2  ILE  73          2HG2      ILE  73  -6.291 -10.276  -3.653
  577   1HD1  ILE  73          1HD1      ILE  73  -3.683  -8.196  -4.430
  578   2HD1  ILE  73          3HD1      ILE  73  -4.385  -9.692  -5.046
  579   3HD1  ILE  73          2HD1      ILE  73  -3.868  -8.436  -6.170
  580    H    TYR  74           H        TYR  74  -5.049  -6.658  -2.364
  581    HA   TYR  74           HA       TYR  74  -4.724  -3.893  -3.280
  582   1HB   TYR  74           HB2      TYR  74  -3.897  -4.696  -0.504
  583   2HB   TYR  74           HB3      TYR  74  -4.222  -3.086  -1.141
  584    HD1  TYR  74           HD1      TYR  74  -6.463  -2.201  -1.195
  585    HD2  TYR  74           HD2      TYR  74  -5.763  -6.185   0.115
  586    HE1  TYR  74           HE1      TYR  74  -8.751  -2.318  -0.303
  587    HE2  TYR  74           HE2      TYR  74  -8.046  -6.303   1.002
  588    HH   TYR  74           HH       TYR  74  -9.805  -4.772   1.773
  589    H    VAL  75           H        VAL  75  -3.104  -4.281  -4.720
  590    HA   VAL  75           HA       VAL  75  -0.899  -6.043  -4.058
  591    HB   VAL  75           HB       VAL  75  -1.487  -4.378  -6.509
  592   1HG1  VAL  75          3HG1      VAL  75   0.833  -6.236  -5.994
  593   2HG1  VAL  75          2HG1      VAL  75   0.412  -5.551  -7.564
  594   3HG1  VAL  75          1HG1      VAL  75   0.914  -4.492  -6.247
  595   1HG2  VAL  75          3HG2      VAL  75  -2.912  -6.342  -6.192
  596   2HG2  VAL  75          2HG2      VAL  75  -1.847  -6.532  -7.584
  597   3HG2  VAL  75          1HG2      VAL  75  -1.479  -7.360  -6.071
  598    H    VAL  76           H        VAL  76   0.428  -5.193  -2.556
  599    HA   VAL  76           HA       VAL  76   1.317  -2.412  -2.905
  600    HB   VAL  76           HB       VAL  76   1.636  -4.167  -0.472
  601   1HG1  VAL  76          2HG1      VAL  76   2.098  -1.223  -0.928
  602   2HG1  VAL  76          1HG1      VAL  76   2.111  -2.006   0.653
  603   3HG1  VAL  76          3HG1      VAL  76   3.314  -2.446  -0.561
  604   1HG2  VAL  76          3HG2      VAL  76  -0.728  -3.700  -0.970
  605   2HG2  VAL  76          2HG2      VAL  76  -0.188  -2.908   0.510
  606   3HG2  VAL  76          1HG2      VAL  76  -0.371  -1.973  -0.973
  607    H    LEU  77           H        LEU  77   3.242  -2.061  -3.763
  608    HA   LEU  77           HA       LEU  77   5.339  -4.109  -3.480
  609   1HB   LEU  77           HB2      LEU  77   4.926  -1.990  -5.587
  610   2HB   LEU  77           HB3      LEU  77   6.406  -2.918  -5.439
  611    HG   LEU  77           HG       LEU  77   3.657  -4.050  -6.009
  612   1HD1  LEU  77          2HD1      LEU  77   4.563  -2.794  -7.893
  613   2HD1  LEU  77          1HD1      LEU  77   6.062  -3.715  -7.797
  614   3HD1  LEU  77          3HD1      LEU  77   4.556  -4.524  -8.231
  615   1HD2  LEU  77          3HD2      LEU  77   5.374  -5.448  -4.689
  616   2HD2  LEU  77          2HD2      LEU  77   4.607  -6.167  -6.107
  617   3HD2  LEU  77          1HD2      LEU  77   6.249  -5.533  -6.218
  618    H    VAL  78           H        VAL  78   6.409  -3.522  -1.663
  619    HA   VAL  78           HA       VAL  78   6.987  -0.695  -1.227
  620    HB   VAL  78           HB       VAL  78   8.134  -2.440   0.763
  621   1HG1  VAL  78          2HG1      VAL  78   7.640  -0.054   1.067
  622   2HG1  VAL  78          1HG1      VAL  78   5.914  -0.388   0.892
  623   3HG1  VAL  78          3HG1      VAL  78   6.808  -1.041   2.268
  624   1HG2  VAL  78          3HG2      VAL  78   6.396  -4.005   0.088
  625   2HG2  VAL  78          2HG2      VAL  78   6.054  -3.338   1.683
  626   3HG2  VAL  78          1HG2      VAL  78   5.176  -2.745   0.273
  627    H    LYS  79           H        LYS  79   8.672   0.041  -2.312
  628    HA   LYS  79           HA       LYS  79  11.120  -1.593  -2.421
  629   1HB   LYS  79           HB2      LYS  79   9.880   0.347  -4.318
  630   2HB   LYS  79           HB3      LYS  79  11.633   0.217  -4.290
  631   1HG   LYS  79           HG2      LYS  79  11.405  -2.222  -4.677
  632   2HG   LYS  79           HG3      LYS  79   9.656  -1.989  -4.857
  633   1HD   LYS  79           HD2      LYS  79  11.757  -0.610  -6.533
  634   2HD   LYS  79           HD3      LYS  79  10.890  -2.069  -7.018
  635   1HE   LYS  79           HE2      LYS  79   9.643   0.604  -6.387
  636   2HE   LYS  79           HE3      LYS  79   9.888  -0.067  -7.999
  637   1HZ   LYS  79           HZ2      LYS  79   8.411  -1.894  -7.420
  638   2HZ   LYS  79           HZ1      LYS  79   8.169  -1.239  -5.879
  639   3HZ   LYS  79           HZ3      LYS  79   7.624  -0.407  -7.247
  640    HA   PRO  80           HA       PRO  80  12.225   1.618   0.681
  641   1HB   PRO  80           HB2      PRO  80  14.690   0.338   1.092
  642   2HB   PRO  80           HB3      PRO  80  13.240   0.178   2.084
  643   1HG   PRO  80           HG2      PRO  80  14.281  -1.607  -0.055
  644   2HG   PRO  80           HG3      PRO  80  13.392  -2.020   1.422
  645   1HD   PRO  80           HD2      PRO  80  12.214  -2.056  -0.990
  646   2HD   PRO  80           HD3      PRO  80  11.337  -1.544   0.468
  647    H    ARG  81           H        ARG  81  12.593   3.364  -0.593
  648    HA   ARG  81           HA       ARG  81  14.515   3.523  -2.645
  649   1HB   ARG  81           HB2      ARG  81  12.674   5.330  -1.310
  650   2HB   ARG  81           HB3      ARG  81  14.194   6.119  -1.701
  651   1HG   ARG  81           HG2      ARG  81  13.946   5.629  -4.013
  652   2HG   ARG  81           HG3      ARG  81  12.568   4.572  -3.698
  653   1HD   ARG  81           HD2      ARG  81  11.234   6.436  -2.978
  654   2HD   ARG  81           HD3      ARG  81  12.617   7.525  -3.102
  655    HE   ARG  81           HE       ARG  81  12.327   6.456  -5.609
  656   1HH1  ARG  81          1HH1      ARG  81  10.296   8.252  -3.421
  657   2HH1  ARG  81          2HH1      ARG  81   9.393   9.018  -4.685
  658   1HH2  ARG  81          1HH2      ARG  81  11.144   7.460  -7.278
  659   2HH2  ARG  81          2HH2      ARG  81   9.874   8.568  -6.877
  660    H    LYS  82           H        LYS  82  14.656   3.981   0.792
  661    HA   LYS  82           HA       LYS  82  17.542   4.523   0.591
  662   1HB   LYS  82           HB2      LYS  82  15.792   5.582   2.807
  663   2HB   LYS  82           HB3      LYS  82  17.437   6.051   2.408
  664   1HG   LYS  82           HG2      LYS  82  16.640   7.074   0.332
  665   2HG   LYS  82           HG3      LYS  82  14.989   6.611   0.749
  666   1HD   LYS  82           HD2      LYS  82  15.160   7.971   2.802
  667   2HD   LYS  82           HD3      LYS  82  16.771   8.487   2.297
  668   1HE   LYS  82           HE2      LYS  82  15.819   9.477   0.273
  669   2HE   LYS  82           HE3      LYS  82  14.209   8.960   0.774
  670   1HZ   LYS  82           HZ2      LYS  82  14.407  10.372   2.727
  671   2HZ   LYS  82           HZ1      LYS  82  15.947  10.871   2.241
  672   3HZ   LYS  82           HZ3      LYS  82  14.593  11.278   1.312
  673    H    ARG  83           H        ARG  83  18.422   4.205   3.050
  674    HA   ARG  83           HA       ARG  83  17.402   1.585   3.928
  675   1HB   ARG  83           HB2      ARG  83  19.860   1.313   4.743
  676   2HB   ARG  83           HB3      ARG  83  19.471   1.044   3.050
  677   1HG   ARG  83           HG2      ARG  83  20.203   3.349   2.553
  678   2HG   ARG  83           HG3      ARG  83  20.684   3.528   4.242
  679   1HD   ARG  83           HD2      ARG  83  22.225   1.628   3.975
  680   2HD   ARG  83           HD3      ARG  83  21.771   1.522   2.275
  681    HE   ARG  83           HE       ARG  83  22.632   4.122   2.733
  682   1HH1  ARG  83          1HH1      ARG  83  23.950   0.898   2.817
  683   2HH1  ARG  83          2HH1      ARG  83  25.556   1.406   2.410
  684   1HH2  ARG  83          1HH2      ARG  83  24.741   4.799   2.196
  685   2HH2  ARG  83          2HH2      ARG  83  26.006   3.623   2.058
  686    H    GLY  84           H        GLY  84  17.128   1.231   6.088
  687   1HA   GLY  84           HA3      GLY  84  16.967   3.570   7.764
  688   2HA   GLY  84           HA2      GLY  84  18.231   2.452   8.254
  689    H    HIS  85           H        HIS  85  15.125   3.324   8.818
  690    HA   HIS  85           HA       HIS  85  14.421   0.642   9.824
  691   1HB   HIS  85           HB2      HIS  85  13.732   3.343  10.991
  692   2HB   HIS  85           HB3      HIS  85  13.205   1.792  11.635
  693    HD1  HIS  85           HD1      HIS  85  15.970   4.190  11.735
  694    HD2  HIS  85           HD2      HIS  85  15.371   0.196  12.710
  695    HE1  HIS  85           HE1      HIS  85  17.910   3.559  13.206
  696    HE2  HIS  85           HE2      HIS  85  17.571   1.114  13.715
  697    H    HIS  86           H        HIS  86  13.773   1.782   7.229
  698    HA   HIS  86           HA       HIS  86  11.296   2.876   6.892
  699   1HB   HIS  86           HB2      HIS  86  12.480   0.633   5.243
  700   2HB   HIS  86           HB3      HIS  86  11.198   1.724   4.729
  701    HD1  HIS  86           HD1      HIS  86  13.879   3.380   6.607
  702    HD2  HIS  86           HD2      HIS  86  13.032   2.471   2.642
  703    HE1  HIS  86           HE1      HIS  86  15.413   4.831   5.243
  704    HE2  HIS  86           HE2      HIS  86  14.796   4.348   2.848
  705    H    THR  87           H        THR  87   9.192   2.059   6.521
  706    HA   THR  87           HA       THR  87   8.574  -0.690   7.130
  707    HB   THR  87           HB       THR  87   7.673   1.495   9.013
  708    HG1  THR  87           HG1      THR  87   9.670   0.730   9.626
  709   1HG2  THR  87          2HG2      THR  87   5.841  -0.055   8.517
  710   2HG2  THR  87          1HG2      THR  87   6.881  -1.420   8.922
  711   3HG2  THR  87          3HG2      THR  87   6.421  -0.263  10.170
  712    H    LEU  88           H        LEU  88   6.586  -1.310   6.380
  713    HA   LEU  88           HA       LEU  88   5.188   0.646   4.731
  714   1HB   LEU  88           HB2      LEU  88   5.746  -1.389   3.614
  715   2HB   LEU  88           HB3      LEU  88   5.065  -2.354   4.904
  716    HG   LEU  88           HG       LEU  88   2.810  -1.393   4.300
  717   1HD1  LEU  88          1HD1      LEU  88   3.628   0.571   3.088
  718   2HD1  LEU  88          3HD1      LEU  88   4.300  -0.483   1.844
  719   3HD1  LEU  88          2HD1      LEU  88   2.555  -0.414   2.093
  720   1HD2  LEU  88          3HD2      LEU  88   4.285  -3.023   2.242
  721   2HD2  LEU  88          2HD2      LEU  88   3.430  -3.636   3.655
  722   3HD2  LEU  88          1HD2      LEU  88   2.533  -2.866   2.347
  723    H    GLU  89           H        GLU  89   4.058   1.813   6.274
  724    HA   GLU  89           HA       GLU  89   2.422   0.595   8.247
  725   1HB   GLU  89           HB2      GLU  89   2.614   3.392   7.155
  726   2HB   GLU  89           HB3      GLU  89   1.460   2.947   8.405
  727   1HG   GLU  89           HG2      GLU  89   3.248   2.260   9.855
  728   2HG   GLU  89           HG3      GLU  89   4.439   2.617   8.607
  729    H    LEU  90           H        LEU  90   0.943  -0.807   7.367
  730    HA   LEU  90           HA       LEU  90  -1.033   0.394   5.542
  731   1HB   LEU  90           HB2      LEU  90  -0.155  -2.459   5.895
  732   2HB   LEU  90           HB3      LEU  90  -1.681  -2.061   5.133
  733    HG   LEU  90           HG       LEU  90   1.068  -1.275   4.163
  734   1HD1  LEU  90          3HD1      LEU  90  -1.008  -3.165   3.073
  735   2HD1  LEU  90          2HD1      LEU  90   0.468  -2.691   2.235
  736   3HD1  LEU  90          1HD1      LEU  90   0.564  -3.596   3.745
  737   1HD2  LEU  90          1HD2      LEU  90  -1.653  -0.613   3.047
  738   2HD2  LEU  90          3HD2      LEU  90  -0.466   0.523   3.687
  739   3HD2  LEU  90          2HD2      LEU  90  -0.127  -0.363   2.201
  740    H    VAL  91           H        VAL  91  -3.152   0.407   6.086
  741    HA   VAL  91           HA       VAL  91  -4.010  -0.959   8.520
  742    HB   VAL  91           HB       VAL  91  -3.198   1.212   9.293
  743   1HG1  VAL  91          3HG1      VAL  91  -5.118   2.323   7.249
  744   2HG1  VAL  91          2HG1      VAL  91  -4.387   3.282   8.540
  745   3HG1  VAL  91          1HG1      VAL  91  -3.364   2.530   7.313
  746   1HG2  VAL  91          1HG2      VAL  91  -6.207   0.989   9.317
  747   2HG2  VAL  91          3HG2      VAL  91  -5.084   0.276  10.475
  748   3HG2  VAL  91          2HG2      VAL  91  -5.260   2.027  10.381
  749    H    TYR  92           H        TYR  92  -6.320  -1.011   8.778
  750    HA   TYR  92           HA       TYR  92  -7.765  -0.841   6.241
  751   1HB   TYR  92           HB2      TYR  92  -7.713  -2.879   7.912
  752   2HB   TYR  92           HB3      TYR  92  -8.936  -1.951   8.770
  753    HD1  TYR  92           HD1      TYR  92 -10.791  -3.376   8.484
  754    HD2  TYR  92           HD2      TYR  92  -8.556  -2.131   5.083
  755    HE1  TYR  92           HE1      TYR  92 -12.525  -4.307   7.011
  756    HE2  TYR  92           HE2      TYR  92 -10.287  -3.056   3.602
  757    HH   TYR  92           HH       TYR  92 -13.347  -4.005   4.713
  758    H    THR  93           H        THR  93  -8.176   1.375   6.085
  759    HA   THR  93           HA       THR  93  -9.879   2.523   8.209
  760    HB   THR  93           HB       THR  93  -7.817   3.695   8.264
  761    HG1  THR  93           HG1      THR  93  -9.492   5.308   6.628
  762   1HG2  THR  93          3HG2      THR  93  -8.089   3.898   5.264
  763   2HG2  THR  93          2HG2      THR  93  -6.892   4.783   6.214
  764   3HG2  THR  93          1HG2      THR  93  -6.853   3.019   6.167
  765    H    ARG  94           H        ARG  94 -11.553   3.924   7.608
  766    HA   ARG  94           HA       ARG  94 -12.660   3.413   4.973
  767   1HB   ARG  94           HB2      ARG  94 -13.806   5.017   7.265
  768   2HB   ARG  94           HB3      ARG  94 -14.669   4.512   5.820
  769   1HG   ARG  94           HG2      ARG  94 -14.352   2.163   6.482
  770   2HG   ARG  94           HG3      ARG  94 -13.562   2.714   7.961
  771   1HD   ARG  94           HD2      ARG  94 -15.908   2.157   8.357
  772   2HD   ARG  94           HD3      ARG  94 -15.591   3.869   8.640
  773    HE   ARG  94           HE       ARG  94 -16.481   3.434   5.983
  774   1HH1  ARG  94          1HH1      ARG  94 -17.606   3.581   9.279
  775   2HH1  ARG  94          2HH1      ARG  94 -19.212   4.061   8.844
  776   1HH2  ARG  94          1HH2      ARG  94 -18.593   4.067   5.403
  777   2HH2  ARG  94          2HH2      ARG  94 -19.773   4.337   6.641
  778    HA   PRO  95           HA       PRO  95 -10.555   7.248   3.619
  779   1HB   PRO  95           HB2      PRO  95 -11.763   6.971   1.084
  780   2HB   PRO  95           HB3      PRO  95 -10.123   6.507   1.530
  781   1HG   PRO  95           HG2      PRO  95 -12.550   4.832   1.271
  782   2HG   PRO  95           HG3      PRO  95 -10.851   4.399   1.021
  783   1HD   PRO  95           HD2      PRO  95 -12.235   3.604   3.185
  784   2HD   PRO  95           HD3      PRO  95 -10.504   3.976   3.245
  785    H    PHE  96           H        PHE  96 -13.909   6.292   3.283
  786    HA   PHE  96           HA       PHE  96 -14.913   8.854   2.612
  787   1HB   PHE  96           HB2      PHE  96 -16.269   6.413   3.765
  788   2HB   PHE  96           HB3      PHE  96 -17.094   7.815   3.114
  789    HD1  PHE  96           HD1      PHE  96 -14.851   5.022   2.236
  790    HD2  PHE  96           HD2      PHE  96 -17.480   8.048   0.806
  791    HE1  PHE  96           HE1      PHE  96 -14.774   4.020  -0.009
  792    HE2  PHE  96           HE2      PHE  96 -17.411   7.050  -1.442
  793    HZ   PHE  96           HZ       PHE  96 -16.057   5.034  -1.853
  794    H    GLU  97           H        GLU  97 -14.291   7.160   5.618
  795    HA   GLU  97           HA       GLU  97 -15.428   9.422   7.120
  796   1HB   GLU  97           HB2      GLU  97 -14.810   6.607   8.036
  797   2HB   GLU  97           HB3      GLU  97 -15.437   7.885   9.068
  798   1HG   GLU  97           HG2      GLU  97 -16.826   6.715   6.666
  799   2HG   GLU  97           HG3      GLU  97 -17.194   6.359   8.353
  800    H    GLY  98           H        GLY  98 -12.966   7.038   8.032
  801   1HA   GLY  98           HA3      GLY  98 -11.402   8.958   9.418
  802   2HA   GLY  98           HA2      GLY  98 -10.685   8.620   7.849
  803    H    ILE  99           H        ILE  99  -9.073   8.045   9.737
  804    HA   ILE  99           HA       ILE  99  -9.058   5.130   9.802
  805    HB   ILE  99           HB       ILE  99  -6.823   6.893  10.735
  806   1HG1  ILE  99          2HG1      ILE  99  -7.089   5.954   7.891
  807   2HG1  ILE  99          3HG1      ILE  99  -7.749   7.508   8.397
  808   1HG2  ILE  99          2HG2      ILE  99  -7.203   4.059   9.976
  809   2HG2  ILE  99          1HG2      ILE  99  -5.675   4.810   9.504
  810   3HG2  ILE  99          3HG2      ILE  99  -6.155   4.776  11.201
  811   1HD1  ILE  99          2HD1      ILE  99  -5.524   8.196   9.128
  812   2HD1  ILE  99          1HD1      ILE  99  -4.873   6.646   8.600
  813   3HD1  ILE  99          3HD1      ILE  99  -5.550   7.766   7.417
  814    H    LYS 100           H        LYS 100  -8.591   3.954  11.711
  815    HA   LYS 100           HA       LYS 100  -8.836   5.370  14.251
  816   1HB   LYS 100           HB2      LYS 100 -10.564   2.966  13.904
  817   2HB   LYS 100           HB3      LYS 100 -10.781   4.360  14.954
  818   1HG   LYS 100           HG2      LYS 100 -11.403   5.725  13.038
  819   2HG   LYS 100           HG3      LYS 100 -11.180   4.337  11.972
  820   1HD   LYS 100           HD2      LYS 100 -13.196   3.517  12.471
  821   2HD   LYS 100           HD3      LYS 100 -12.930   3.727  14.205
  822   1HE   LYS 100           HE2      LYS 100 -13.495   6.107  13.981
  823   2HE   LYS 100           HE3      LYS 100 -13.819   5.858  12.264
  824   1HZ   LYS 100           HZ1      LYS 100 -15.270   4.552  14.505
  825   2HZ   LYS 100           HZ3      LYS 100 -15.856   5.826  13.558
  826   3HZ   LYS 100           HZ2      LYS 100 -15.579   4.311  12.860
  827    HA   PRO 101           HA       PRO 101  -5.910   2.403  15.682
  828   1HB   PRO 101           HB2      PRO 101  -7.344   2.251  18.251
  829   2HB   PRO 101           HB3      PRO 101  -5.715   2.837  17.908
  830   1HG   PRO 101           HG2      PRO 101  -7.700   4.517  18.559
  831   2HG   PRO 101           HG3      PRO 101  -6.447   4.968  17.388
  832   1HD   PRO 101           HD2      PRO 101  -9.256   4.042  16.899
  833   2HD   PRO 101           HD3      PRO 101  -8.341   5.337  16.098
  834    H    GLU 102           H        GLU 102  -9.207   1.649  16.789
  835    HA   GLU 102           HA       GLU 102  -8.847  -1.070  17.245
  836   1HB   GLU 102           HB2      GLU 102 -11.314  -1.242  16.979
  837   2HB   GLU 102           HB3      GLU 102 -10.798   0.042  18.068
  838   1HG   GLU 102           HG2      GLU 102 -11.094   1.670  16.292
  839   2HG   GLU 102           HG3      GLU 102 -11.605   0.388  15.198
  840    H    ASN 103           H        ASN 103  -8.856   0.589  14.293
  841    HA   ASN 103           HA       ASN 103  -9.960  -1.411  12.612
  842   1HB   ASN 103           HB2      ASN 103  -8.006   0.801  11.964
  843   2HB   ASN 103           HB3      ASN 103  -8.883  -0.160  10.779
  844   1HD2  ASN 103          1HD2      ASN 103 -11.251  -0.186  12.630
  845   2HD2  ASN 103          2HD2      ASN 103 -11.987   1.359  12.406
  846    H    GLU 104           H        GLU 104  -8.798  -2.679  11.015
  847    HA   GLU 104           HA       GLU 104  -6.890  -4.368  12.113
  848   1HB   GLU 104           HB2      GLU 104  -8.430  -4.437   9.900
  849   2HB   GLU 104           HB3      GLU 104  -6.875  -4.073   9.167
  850   1HG   GLU 104           HG2      GLU 104  -5.926  -6.064   9.898
  851   2HG   GLU 104           HG3      GLU 104  -7.180  -6.328  11.109
  852    H    ARG 105           H        ARG 105  -4.675  -4.723  11.481
  853    HA   ARG 105           HA       ARG 105  -3.268  -2.286  10.611
  854   1HB   ARG 105           HB2      ARG 105  -3.171  -2.526  13.085
  855   2HB   ARG 105           HB3      ARG 105  -2.421  -4.098  12.879
  856   1HG   ARG 105           HG2      ARG 105  -0.545  -2.866  13.215
  857   2HG   ARG 105           HG3      ARG 105  -0.697  -2.674  11.464
  858   1HD   ARG 105           HD2      ARG 105  -0.286  -0.529  12.529
  859   2HD   ARG 105           HD3      ARG 105  -1.881  -0.572  11.773
  860    HE   ARG 105           HE       ARG 105  -2.255  -1.341  14.392
  861   1HH1  ARG 105          1HH1      ARG 105  -1.057   1.470  12.717
  862   2HH1  ARG 105          2HH1      ARG 105  -1.563   2.580  13.948
  863   1HH2  ARG 105          1HH2      ARG 105  -2.925   0.113  16.018
  864   2HH2  ARG 105          2HH2      ARG 105  -2.624   1.808  15.824
  865    H    TYR 106           H        TYR 106  -1.065  -2.695   9.853
  866    HA   TYR 106           HA       TYR 106   0.009  -5.255   9.451
  867   1HB   TYR 106           HB2      TYR 106  -1.893  -5.433   7.857
  868   2HB   TYR 106           HB3      TYR 106  -1.234  -4.062   6.962
  869    HD1  TYR 106           HD1      TYR 106   0.664  -4.341   5.505
  870    HD2  TYR 106           HD2      TYR 106  -0.724  -7.590   7.873
  871    HE1  TYR 106           HE1      TYR 106   2.056  -5.886   4.193
  872    HE2  TYR 106           HE2      TYR 106   0.666  -9.143   6.570
  873    HH   TYR 106           HH       TYR 106   1.711  -9.257   4.348
  874    H    THR 107           H        THR 107   1.553  -3.780  10.431
  875    HA   THR 107           HA       THR 107   2.793  -1.852   8.621
  876    HB   THR 107           HB       THR 107   4.094  -2.136  11.200
  877    HG1  THR 107           HG1      THR 107   1.349  -1.376  11.257
  878   1HG2  THR 107          2HG2      THR 107   4.201  -0.187   9.632
  879   2HG2  THR 107          1HG2      THR 107   2.528   0.174  10.053
  880   3HG2  THR 107          3HG2      THR 107   3.783   0.240  11.291
  881    H    LEU 108           H        LEU 108   3.828  -3.273   7.162
  882    HA   LEU 108           HA       LEU 108   5.553  -5.356   8.041
  883   1HB   LEU 108           HB2      LEU 108   4.694  -5.580   5.861
  884   2HB   LEU 108           HB3      LEU 108   5.176  -3.962   5.410
  885    HG   LEU 108           HG       LEU 108   7.515  -4.624   5.363
  886   1HD1  LEU 108          2HD1      LEU 108   7.464  -6.269   7.165
  887   2HD1  LEU 108          1HD1      LEU 108   6.526  -7.363   6.147
  888   3HD1  LEU 108          3HD1      LEU 108   8.181  -6.946   5.702
  889   1HD2  LEU 108          3HD2      LEU 108   6.153  -4.931   3.348
  890   2HD2  LEU 108          2HD2      LEU 108   7.448  -6.123   3.462
  891   3HD2  LEU 108          1HD2      LEU 108   5.791  -6.581   3.854
  892    H    HIS 109           H        HIS 109   6.980  -4.530   9.535
  893    HA   HIS 109           HA       HIS 109   8.587  -2.231   9.010
  894   1HB   HIS 109           HB2      HIS 109   8.515  -4.299  11.152
  895   2HB   HIS 109           HB3      HIS 109   9.909  -3.236  11.019
  896    HD1  HIS 109           HD1      HIS 109   9.671  -0.920  11.959
  897    HD2  HIS 109           HD2      HIS 109   6.038  -2.917  11.677
  898    HE1  HIS 109           HE1      HIS 109   8.002   0.548  13.137
  899    HE2  HIS 109           HE2      HIS 109   5.826  -0.716  13.019
  900    H    LEU 110           H        LEU 110  10.718  -2.105   8.476
  901    HA   LEU 110           HA       LEU 110  12.122  -4.512   7.637
  902   1HB   LEU 110           HB2      LEU 110  11.572  -2.180   5.800
  903   2HB   LEU 110           HB3      LEU 110  12.641  -3.517   5.430
  904    HG   LEU 110           HG       LEU 110   9.663  -3.763   5.905
  905   1HD1  LEU 110          1HD1      LEU 110  10.137  -2.525   3.863
  906   2HD1  LEU 110          3HD1      LEU 110  11.235  -3.800   3.333
  907   3HD1  LEU 110          2HD1      LEU 110   9.510  -4.132   3.494
  908   1HD2  LEU 110          1HD2      LEU 110  11.055  -5.763   6.458
  909   2HD2  LEU 110          3HD2      LEU 110   9.876  -6.019   5.172
  910   3HD2  LEU 110          2HD2      LEU 110  11.578  -5.790   4.774
  911    H    ASN 111           H        ASN 111  13.991  -4.338   8.711
  912    HA   ASN 111           HA       ASN 111  15.161  -1.754   9.275
  913   1HB   ASN 111           HB2      ASN 111  15.198  -3.649  10.920
  914   2HB   ASN 111           HB3      ASN 111  16.291  -4.504   9.839
  915   1HD2  ASN 111          1HD2      ASN 111  18.409  -3.855   9.669
  916   2HD2  ASN 111          2HD2      ASN 111  19.131  -2.719  10.751
  917    H    VAL 112           H        VAL 112  15.077  -1.646   6.771
  918    HA   VAL 112           HA       VAL 112  16.622  -2.877   4.961
  919    HB   VAL 112           HB       VAL 112  16.799   0.110   5.007
  920   1HG1  VAL 112          2HG1      VAL 112  17.755  -1.169   3.143
  921   2HG1  VAL 112          1HG1      VAL 112  16.168  -1.871   2.828
  922   3HG1  VAL 112          3HG1      VAL 112  16.421  -0.138   2.623
  923   1HG2  VAL 112          2HG2      VAL 112  14.280  -1.493   4.617
  924   2HG2  VAL 112          1HG2      VAL 112  14.567  -0.189   5.769
  925   3HG2  VAL 112          3HG2      VAL 112  14.478   0.163   4.043
  926    H    LYS 113           H        LYS 113  18.722  -3.180   4.493
  927    HA   LYS 113           HA       LYS 113  20.703  -2.519   6.434
  928   1HB   LYS 113           HB2      LYS 113  20.977  -3.701   3.665
  929   2HB   LYS 113           HB3      LYS 113  22.270  -3.608   4.852
  930   1HG   LYS 113           HG2      LYS 113  19.691  -5.098   5.265
  931   2HG   LYS 113           HG3      LYS 113  21.201  -5.830   4.717
  932   1HD   LYS 113           HD2      LYS 113  22.297  -5.122   6.786
  933   2HD   LYS 113           HD3      LYS 113  20.789  -4.384   7.333
  934   1HE   LYS 113           HE2      LYS 113  21.108  -6.566   8.360
  935   2HE   LYS 113           HE3      LYS 113  19.703  -6.570   7.296
  936   1HZ   LYS 113           HZ2      LYS 113  21.043  -7.637   5.590
  937   2HZ   LYS 113           HZ1      LYS 113  22.390  -7.633   6.612
  938   3HZ   LYS 113           HZ3      LYS 113  21.031  -8.562   7.006

  No H/Q in entry =         938
  Start of MODEL    7
    1    H1   GLY  -2           HT1      GLY  -2  -8.158 -14.795  29.373
    2    H2   GLY  -2           HT3      GLY  -2  -7.897 -14.801  31.044
    3    H3   GLY  -2           HT2      GLY  -2  -7.625 -16.204  30.141
    4   1HA   GLY  -2           HA2      GLY  -2  -9.699 -16.378  31.355
    5   2HA   GLY  -2           HA3      GLY  -2  -9.968 -16.379  29.618
    6    H    SER  -1           H        SER  -1  -9.210 -13.372  29.813
    7    HA   SER  -1           HA       SER  -1 -11.683 -12.368  31.014
    8   1HB   SER  -1           HB2      SER  -1 -10.651 -10.135  30.761
    9   2HB   SER  -1           HB3      SER  -1  -9.619 -11.233  31.676
   10    HG   SER  -1           HG       SER  -1  -8.521 -11.627  29.631
   11    H    HIS   0           H        HIS   0 -13.391 -12.199  29.733
   12    HA   HIS   0           HA       HIS   0 -13.004 -11.821  26.856
   13   1HB   HIS   0           HB2      HIS   0 -14.449 -13.683  27.596
   14   2HB   HIS   0           HB3      HIS   0 -15.510 -12.529  28.398
   15    HD1  HIS   0           HD1      HIS   0 -14.624 -13.884  25.045
   16    HD2  HIS   0           HD2      HIS   0 -17.166 -11.031  26.680
   17    HE1  HIS   0           HE1      HIS   0 -16.217 -13.266  23.200
   18    HE2  HIS   0           HE2      HIS   0 -17.689 -11.475  24.186
   19    H    MET   1           H        MET   1 -13.140  -9.846  26.044
   20    HA   MET   1           HA       MET   1 -15.020  -7.939  27.255
   21   1HB   MET   1           HB2      MET   1 -12.203  -7.313  26.355
   22   2HB   MET   1           HB3      MET   1 -13.382  -6.128  26.898
   23   1HG   MET   1           HG2      MET   1 -13.425  -7.174  29.103
   24   2HG   MET   1           HG3      MET   1 -12.246  -8.368  28.558
   25   1HE   MET   1           HE1      MET   1 -12.897  -4.585  29.366
   26   2HE   MET   1           HE3      MET   1 -11.344  -3.859  28.958
   27   3HE   MET   1           HE2      MET   1 -12.365  -4.526  27.686
   28    H    ILE   2           H        ILE   2 -15.139  -5.915  25.709
   29    HA   ILE   2           HA       ILE   2 -15.813  -6.991  23.075
   30    HB   ILE   2           HB       ILE   2 -16.547  -4.351  24.350
   31   1HG1  ILE   2          2HG1      ILE   2 -18.886  -5.450  24.172
   32   2HG1  ILE   2          3HG1      ILE   2 -18.000  -6.963  24.003
   33   1HG2  ILE   2          2HG2      ILE   2 -17.410  -5.547  21.720
   34   2HG2  ILE   2          1HG2      ILE   2 -18.097  -4.097  22.453
   35   3HG2  ILE   2          3HG2      ILE   2 -16.408  -4.113  21.945
   36   1HD1  ILE   2          3HD1      ILE   2 -17.763  -5.072  26.329
   37   2HD1  ILE   2          2HD1      ILE   2 -18.733  -6.545  26.300
   38   3HD1  ILE   2          1HD1      ILE   2 -16.977  -6.642  26.166
   39    H    ALA   3           H        ALA   3 -13.684  -4.724  24.643
   40    HA   ALA   3           HA       ALA   3 -12.896  -3.135  22.507
   41   1HB   ALA   3           HB1      ALA   3 -10.851  -2.715  23.763
   42   2HB   ALA   3           HB2      ALA   3 -11.185  -4.107  24.793
   43   3HB   ALA   3           HB3      ALA   3 -12.256  -2.707  24.831
   44    HA   PRO   4           HA       PRO   4 -10.644  -5.563  19.602
   45   1HB   PRO   4           HB2      PRO   4  -8.415  -3.611  19.910
   46   2HB   PRO   4           HB3      PRO   4  -9.242  -4.153  18.446
   47   1HG   PRO   4           HG2      PRO   4  -9.740  -1.748  19.472
   48   2HG   PRO   4           HG3      PRO   4 -11.046  -2.730  18.781
   49   1HD   PRO   4           HD2      PRO   4 -10.370  -2.213  21.644
   50   2HD   PRO   4           HD3      PRO   4 -11.959  -2.386  20.872
   51    H    LEU   5           H        LEU   5  -9.345  -7.304  19.712
   52    HA   LEU   5           HA       LEU   5  -7.673  -7.604  22.100
   53   1HB   LEU   5           HB2      LEU   5  -8.641  -9.675  20.128
   54   2HB   LEU   5           HB3      LEU   5  -7.706 -10.008  21.572
   55    HG   LEU   5           HG       LEU   5 -10.495  -8.846  21.527
   56   1HD1  LEU   5          2HD1      LEU   5  -9.522 -11.604  22.260
   57   2HD1  LEU   5          1HD1      LEU   5 -11.175 -11.012  22.433
   58   3HD1  LEU   5          3HD1      LEU   5 -10.461 -11.178  20.829
   59   1HD2  LEU   5          2HD2      LEU   5  -8.746  -9.712  23.825
   60   2HD2  LEU   5          1HD2      LEU   5  -9.224  -8.060  23.439
   61   3HD2  LEU   5          3HD2      LEU   5 -10.438  -9.233  23.950
   62    H    SER   6           H        SER   6  -5.757  -9.240  21.598
   63    HA   SER   6           HA       SER   6  -4.217  -7.989  19.430
   64   1HB   SER   6           HB2      SER   6  -2.214  -8.754  20.665
   65   2HB   SER   6           HB3      SER   6  -3.244  -7.721  21.657
   66    HG   SER   6           HG       SER   6  -2.582 -10.364  21.971
   67    H    VAL   7           H        VAL   7  -6.068 -10.569  19.744
   68    HA   VAL   7           HA       VAL   7  -4.256 -12.585  18.691
   69    HB   VAL   7           HB       VAL   7  -7.238 -12.900  18.912
   70   1HG1  VAL   7          3HG1      VAL   7  -4.930 -14.829  19.143
   71   2HG1  VAL   7          2HG1      VAL   7  -6.633 -15.249  19.333
   72   3HG1  VAL   7          1HG1      VAL   7  -6.035 -14.673  17.777
   73   1HG2  VAL   7          1HG2      VAL   7  -5.238 -13.213  21.149
   74   2HG2  VAL   7          3HG2      VAL   7  -6.514 -11.999  21.049
   75   3HG2  VAL   7          2HG2      VAL   7  -6.931 -13.705  21.211
   76    H    LYS   8           H        LYS   8  -5.221 -10.021  17.261
   77    HA   LYS   8           HA       LYS   8  -6.591 -11.090  14.954
   78   1HB   LYS   8           HB2      LYS   8  -5.474  -8.323  15.382
   79   2HB   LYS   8           HB3      LYS   8  -6.650  -8.810  14.175
   80   1HG   LYS   8           HG2      LYS   8  -8.356  -9.036  15.743
   81   2HG   LYS   8           HG3      LYS   8  -7.223  -9.108  17.095
   82   1HD   LYS   8           HD2      LYS   8  -8.101  -6.960  17.250
   83   2HD   LYS   8           HD3      LYS   8  -6.575  -6.717  16.398
   84   1HE   LYS   8           HE2      LYS   8  -9.263  -6.985  15.059
   85   2HE   LYS   8           HE3      LYS   8  -8.474  -5.451  15.422
   86   1HZ   LYS   8           HZ3      LYS   8  -6.598  -6.188  14.021
   87   2HZ   LYS   8           HZ2      LYS   8  -7.481  -7.567  13.594
   88   3HZ   LYS   8           HZ1      LYS   8  -8.046  -6.035  13.159
   89    H    ASP   9           H        ASP   9  -3.493  -9.752  15.799
   90    HA   ASP   9           HA       ASP   9  -1.439  -9.808  14.848
   91   1HB   ASP   9           HB2      ASP   9  -1.641 -12.189  14.921
   92   2HB   ASP   9           HB3      ASP   9  -2.669 -12.203  13.494
   93    H    ASN  10           H        ASN  10  -0.449  -8.660  13.262
   94    HA   ASN  10           HA       ASN  10  -2.123  -7.868  11.003
   95   1HB   ASN  10           HB2      ASN  10  -0.229  -6.089  10.818
   96   2HB   ASN  10           HB3      ASN  10  -1.492  -5.904  12.022
   97   1HD2  ASN  10          1HD2      ASN  10  -0.196  -4.642  13.337
   98   2HD2  ASN  10          2HD2      ASN  10   1.115  -5.295  14.251
   99    H    ASP  11           H        ASP  11   1.348  -7.538  11.036
  100    HA   ASP  11           HA       ASP  11   1.529  -9.535   8.888
  101   1HB   ASP  11           HB2      ASP  11   1.501  -7.297   7.893
  102   2HB   ASP  11           HB3      ASP  11   2.870  -6.826   8.895
  103    H    LYS  12           H        LYS  12   4.398  -7.813   9.323
  104    HA   LYS  12           HA       LYS  12   5.470  -9.349  11.485
  105   1HB   LYS  12           HB2      LYS  12   5.610 -11.129   9.964
  106   2HB   LYS  12           HB3      LYS  12   6.032 -10.066   8.627
  107   1HG   LYS  12           HG2      LYS  12   8.212  -9.664   9.640
  108   2HG   LYS  12           HG3      LYS  12   7.801 -10.763  10.959
  109   1HD   LYS  12           HD2      LYS  12   9.142 -11.959   9.367
  110   2HD   LYS  12           HD3      LYS  12   7.490 -12.571   9.278
  111   1HE   LYS  12           HE2      LYS  12   7.077 -11.186   7.309
  112   2HE   LYS  12           HE3      LYS  12   8.721 -10.554   7.403
  113   1HZ   LYS  12           HZ1      LYS  12   7.986 -13.396   6.945
  114   2HZ   LYS  12           HZ3      LYS  12   8.545 -12.318   5.766
  115   3HZ   LYS  12           HZ2      LYS  12   9.562 -12.788   7.032
  116    H    TRP  13           H        TRP  13   7.563  -8.679  12.082
  117    HA   TRP  13           HA       TRP  13   8.393  -6.133  10.893
  118   1HB   TRP  13           HB2      TRP  13   9.004  -7.304  13.621
  119   2HB   TRP  13           HB3      TRP  13   9.464  -5.706  13.061
  120    HD1  TRP  13           HD1      TRP  13   5.944  -7.245  12.642
  121    HE1  TRP  13           HE1      TRP  13   4.257  -5.754  13.878
  122    HE3  TRP  13           HE3      TRP  13   9.205  -3.976  14.847
  123    HZ2  TRP  13           HZ2      TRP  13   4.288  -3.500  15.561
  124    HZ3  TRP  13           HZ3      TRP  13   8.289  -2.184  16.262
  125    HH2  TRP  13           HH2      TRP  13   5.883  -1.952  16.613
  126    H    VAL  14           H        VAL  14  10.163  -6.259   9.545
  127    HA   VAL  14           HA       VAL  14  12.392  -7.966  10.376
  128    HB   VAL  14           HB       VAL  14  12.598  -8.995   8.121
  129   1HG1  VAL  14          2HG1      VAL  14  10.096  -9.647   9.668
  130   2HG1  VAL  14          1HG1      VAL  14  10.854 -10.699   8.471
  131   3HG1  VAL  14          3HG1      VAL  14  11.712 -10.291   9.957
  132   1HG2  VAL  14          3HG2      VAL  14  11.244  -7.411   6.866
  133   2HG2  VAL  14          2HG2      VAL  14  10.634  -9.054   6.662
  134   3HG2  VAL  14          1HG2      VAL  14   9.803  -7.933   7.740
  135    H    ASP  15           H        ASP  15  14.022  -7.938   8.334
  136    HA   ASP  15           HA       ASP  15  14.619  -5.098   7.935
  137   1HB   ASP  15           HB2      ASP  15  16.906  -5.739   7.704
  138   2HB   ASP  15           HB3      ASP  15  16.263  -6.619   9.090
  139    H    THR  16           H        THR  16  16.297  -5.125   5.795
  140    HA   THR  16           HA       THR  16  15.424  -6.643   3.580
  141    HB   THR  16           HB       THR  16  13.413  -5.078   4.096
  142    HG1  THR  16           HG1      THR  16  13.066  -4.905   1.796
  143   1HG2  THR  16          3HG2      THR  16  14.737  -3.015   4.299
  144   2HG2  THR  16          2HG2      THR  16  15.213  -3.166   2.608
  145   3HG2  THR  16          1HG2      THR  16  13.522  -2.895   3.027
  146    H    HIS  17           H        HIS  17  15.971  -5.380   1.439
  147    HA   HIS  17           HA       HIS  17  18.579  -4.075   1.845
  148   1HB   HIS  17           HB2      HIS  17  17.544  -5.622  -0.546
  149   2HB   HIS  17           HB3      HIS  17  19.123  -4.853  -0.441
  150    HD1  HIS  17           HD1      HIS  17  17.206  -7.823   0.754
  151    HD2  HIS  17           HD2      HIS  17  21.014  -6.202   1.130
  152    HE1  HIS  17           HE1      HIS  17  18.611  -9.639   1.781
  153    HE2  HIS  17           HE2      HIS  17  20.886  -8.602   2.088
  154    H    VAL  18           H        VAL  18  18.418  -3.392  -1.149
  155    HA   VAL  18           HA       VAL  18  16.759  -0.994  -0.759
  156    HB   VAL  18           HB       VAL  18  19.106  -0.496  -1.184
  157   1HG1  VAL  18          3HG1      VAL  18  19.696  -2.493  -2.453
  158   2HG1  VAL  18          2HG1      VAL  18  18.708  -1.935  -3.805
  159   3HG1  VAL  18          1HG1      VAL  18  20.147  -1.030  -3.330
  160   1HG2  VAL  18          2HG2      VAL  18  17.341   1.026  -2.008
  161   2HG2  VAL  18          1HG2      VAL  18  18.807   1.087  -2.989
  162   3HG2  VAL  18          3HG2      VAL  18  17.394   0.204  -3.567
  163    H    GLY  19           H        GLY  19  15.076  -0.569  -2.003
  164   1HA   GLY  19           HA3      GLY  19  14.707  -1.313  -4.675
  165   2HA   GLY  19           HA2      GLY  19  13.441  -0.804  -3.576
  166    H    LYS  20           H        LYS  20  14.329  -3.213  -1.830
  167    HA   LYS  20           HA       LYS  20  13.771  -5.560  -3.256
  168   1HB   LYS  20           HB2      LYS  20  14.570  -5.028  -0.728
  169   2HB   LYS  20           HB3      LYS  20  12.894  -5.443  -0.431
  170   1HG   LYS  20           HG2      LYS  20  13.951  -7.468  -0.195
  171   2HG   LYS  20           HG3      LYS  20  13.405  -7.525  -1.875
  172   1HD   LYS  20           HD2      LYS  20  15.539  -7.067  -2.703
  173   2HD   LYS  20           HD3      LYS  20  16.094  -6.458  -1.145
  174   1HE   LYS  20           HE2      LYS  20  15.980  -8.725  -0.222
  175   2HE   LYS  20           HE3      LYS  20  15.416  -9.330  -1.780
  176   1HZ   LYS  20           HZ1      LYS  20  18.050  -8.056  -1.272
  177   2HZ   LYS  20           HZ3      LYS  20  17.780  -9.712  -1.488
  178   3HZ   LYS  20           HZ2      LYS  20  17.510  -8.638  -2.766
  179    H    THR  21           H        THR  21  12.020  -4.988  -4.622
  180    HA   THR  21           HA       THR  21   9.550  -4.001  -3.840
  181    HB   THR  21           HB       THR  21   9.846  -6.035  -6.041
  182    HG1  THR  21           HG1      THR  21  11.515  -4.525  -6.320
  183   1HG2  THR  21          1HG2      THR  21   8.112  -3.581  -5.711
  184   2HG2  THR  21          3HG2      THR  21   8.132  -4.641  -7.120
  185   3HG2  THR  21          2HG2      THR  21   7.582  -5.256  -5.563
  186    H    THR  22           H        THR  22   8.522  -4.826  -2.121
  187    HA   THR  22           HA       THR  22   8.031  -7.723  -2.043
  188    HB   THR  22           HB       THR  22   7.760  -5.671   0.168
  189    HG1  THR  22           HG1      THR  22   9.525  -7.755   0.478
  190   1HG2  THR  22          1HG2      THR  22   6.142  -7.520   0.372
  191   2HG2  THR  22          3HG2      THR  22   7.472  -8.675   0.287
  192   3HG2  THR  22          2HG2      THR  22   7.360  -7.558   1.648
  193    H    GLU  23           H        GLU  23   6.312  -7.990  -3.331
  194    HA   GLU  23           HA       GLU  23   4.069  -6.256  -3.396
  195   1HB   GLU  23           HB2      GLU  23   4.884  -7.718  -5.263
  196   2HB   GLU  23           HB3      GLU  23   4.273  -9.102  -4.369
  197   1HG   GLU  23           HG2      GLU  23   2.042  -8.372  -4.569
  198   2HG   GLU  23           HG3      GLU  23   2.549  -6.781  -5.139
  199    H    ILE  24           H        ILE  24   2.468  -6.149  -2.006
  200    HA   ILE  24           HA       ILE  24   1.877  -8.508  -0.343
  201    HB   ILE  24           HB       ILE  24   1.382  -5.620   0.312
  202   1HG1  ILE  24          2HG1      ILE  24   3.789  -6.141   0.228
  203   2HG1  ILE  24          3HG1      ILE  24   3.248  -5.788   1.861
  204   1HG2  ILE  24          2HG2      ILE  24  -0.180  -7.184   1.364
  205   2HG2  ILE  24          1HG2      ILE  24   1.181  -8.078   2.041
  206   3HG2  ILE  24          3HG2      ILE  24   0.878  -6.417   2.549
  207   1HD1  ILE  24          3HD1      ILE  24   3.182  -8.192   2.342
  208   2HD1  ILE  24          2HD1      ILE  24   3.789  -8.512   0.718
  209   3HD1  ILE  24          1HD1      ILE  24   4.788  -7.633   1.876
  210    H    HIS  25           H        HIS  25   0.230  -9.447  -1.413
  211    HA   HIS  25           HA       HIS  25  -2.043  -7.874  -2.300
  212   1HB   HIS  25           HB2      HIS  25  -2.079 -10.851  -2.282
  213   2HB   HIS  25           HB3      HIS  25  -2.757  -9.736  -3.453
  214    HD1  HIS  25           HD1      HIS  25   0.119 -11.886  -2.863
  215    HD2  HIS  25           HD2      HIS  25  -0.771  -8.600  -5.244
  216    HE1  HIS  25           HE1      HIS  25   1.876 -11.865  -4.660
  217    HE2  HIS  25           HE2      HIS  25   1.212  -9.971  -6.180
  218    H    LEU  26           H        LEU  26  -3.560  -7.357  -0.887
  219    HA   LEU  26           HA       LEU  26  -4.051  -9.159   1.389
  220   1HB   LEU  26           HB2      LEU  26  -4.669  -6.220   1.180
  221   2HB   LEU  26           HB3      LEU  26  -4.902  -7.223   2.597
  222    HG   LEU  26           HG       LEU  26  -2.206  -6.636   1.364
  223   1HD1  LEU  26          1HD1      LEU  26  -3.549  -5.381   3.754
  224   2HD1  LEU  26          3HD1      LEU  26  -1.878  -5.120   3.259
  225   3HD1  LEU  26          2HD1      LEU  26  -3.199  -4.588   2.217
  226   1HD2  LEU  26          1HD2      LEU  26  -2.347  -8.733   2.642
  227   2HD2  LEU  26          3HD2      LEU  26  -1.317  -7.536   3.430
  228   3HD2  LEU  26          2HD2      LEU  26  -2.949  -7.828   4.032
  229    H    LYS  27           H        LYS  27  -6.182  -9.629   1.956
  230    HA   LYS  27           HA       LYS  27  -8.080  -9.264  -0.248
  231   1HB   LYS  27           HB2      LYS  27  -8.424 -11.161   2.060
  232   2HB   LYS  27           HB3      LYS  27  -9.207 -11.204   0.489
  233   1HG   LYS  27           HG2      LYS  27  -6.982 -11.671  -0.535
  234   2HG   LYS  27           HG3      LYS  27  -6.326 -11.813   1.099
  235   1HD   LYS  27           HD2      LYS  27  -7.902 -13.626   1.575
  236   2HD   LYS  27           HD3      LYS  27  -8.546 -13.492  -0.063
  237   1HE   LYS  27           HE2      LYS  27  -6.354 -14.069  -0.975
  238   2HE   LYS  27           HE3      LYS  27  -5.703 -14.194   0.660
  239   1HZ   LYS  27           HZ3      LYS  27  -7.245 -16.004   1.095
  240   2HZ   LYS  27           HZ2      LYS  27  -7.863 -15.887  -0.475
  241   3HZ   LYS  27           HZ1      LYS  27  -6.260 -16.364  -0.233
  242    H    GLY  28           H        GLY  28 -10.371  -8.988   0.351
  243   1HA   GLY  28           HA3      GLY  28 -10.654  -6.708   2.022
  244   2HA   GLY  28           HA2      GLY  28 -11.292  -8.137   2.818
  245    H    ASN  29           H        ASN  29 -12.367  -5.564   1.405
  246    HA   ASN  29           HA       ASN  29 -13.972  -6.378  -0.751
  247   1HB   ASN  29           HB2      ASN  29 -15.078  -7.804   0.910
  248   2HB   ASN  29           HB3      ASN  29 -15.370  -6.401   1.933
  249   1HD2  ASN  29          1HD2      ASN  29 -17.586  -6.703   1.889
  250   2HD2  ASN  29          2HD2      ASN  29 -18.538  -6.357   0.489
  251    HA   PRO  30           HA       PRO  30 -13.560  -1.829  -0.386
  252   1HB   PRO  30           HB2      PRO  30 -14.728  -2.166  -3.108
  253   2HB   PRO  30           HB3      PRO  30 -13.377  -1.156  -2.582
  254   1HG   PRO  30           HG2      PRO  30 -12.940  -3.417  -3.911
  255   2HG   PRO  30           HG3      PRO  30 -11.889  -2.942  -2.565
  256   1HD   PRO  30           HD2      PRO  30 -14.041  -5.002  -2.654
  257   2HD   PRO  30           HD3      PRO  30 -12.493  -5.026  -1.790
  258    H    THR  31           H        THR  31 -16.272  -3.877  -1.032
  259    HA   THR  31           HA       THR  31 -18.272  -1.880  -1.221
  260    HB   THR  31           HB       THR  31 -18.525  -4.782  -0.416
  261    HG1  THR  31           HG1      THR  31 -17.610  -4.322  -2.549
  262   1HG2  THR  31          2HG2      THR  31 -20.580  -2.822  -1.424
  263   2HG2  THR  31          1HG2      THR  31 -20.852  -4.541  -1.148
  264   3HG2  THR  31          3HG2      THR  31 -20.481  -3.479   0.209
  265    H    THR  32           H        THR  32 -16.782  -3.597   1.450
  266    HA   THR  32           HA       THR  32 -18.621  -3.179   3.472
  267    HB   THR  32           HB       THR  32 -16.719  -3.245   5.054
  268    HG1  THR  32           HG1      THR  32 -14.718  -3.770   3.400
  269   1HG2  THR  32          3HG2      THR  32 -16.532  -5.232   2.787
  270   2HG2  THR  32          2HG2      THR  32 -15.876  -5.461   4.408
  271   3HG2  THR  32          1HG2      THR  32 -17.618  -5.336   4.172
  272    H    GLY  33           H        GLY  33 -15.737  -1.127   2.947
  273   1HA   GLY  33           HA3      GLY  33 -16.966   1.006   4.477
  274   2HA   GLY  33           HA2      GLY  33 -16.798   1.339   2.761
  275    H    TYR  34           H        TYR  34 -14.693  -0.201   5.202
  276    HA   TYR  34           HA       TYR  34 -12.789   1.951   5.021
  277   1HB   TYR  34           HB2      TYR  34 -12.681  -0.694   6.473
  278   2HB   TYR  34           HB3      TYR  34 -11.438   0.544   6.584
  279    HD1  TYR  34           HD1      TYR  34 -15.069  -0.021   7.180
  280    HD2  TYR  34           HD2      TYR  34 -11.596   2.227   8.205
  281    HE1  TYR  34           HE1      TYR  34 -16.302   1.036   9.026
  282    HE2  TYR  34           HE2      TYR  34 -12.828   3.287  10.050
  283    HH   TYR  34           HH       TYR  34 -15.147   3.760  10.690
  284    H    MET  35           H        MET  35 -10.827   1.958   4.051
  285    HA   MET  35           HA       MET  35 -10.312  -0.116   2.077
  286   1HB   MET  35           HB2      MET  35 -10.255   1.889   0.958
  287   2HB   MET  35           HB3      MET  35  -9.693   2.778   2.364
  288   1HG   MET  35           HG2      MET  35  -7.469   1.656   2.051
  289   2HG   MET  35           HG3      MET  35  -8.082   1.064   0.520
  290   1HE   MET  35           HE2      MET  35  -9.924   3.560  -0.355
  291   2HE   MET  35           HE1      MET  35  -8.797   4.443  -1.385
  292   3HE   MET  35           HE3      MET  35  -8.885   2.684  -1.478
  293    H    TRP  36           H        TRP  36  -8.232  -0.964   1.804
  294    HA   TRP  36           HA       TRP  36  -6.613  -1.049   4.251
  295   1HB   TRP  36           HB2      TRP  36  -7.361  -2.982   2.216
  296   2HB   TRP  36           HB3      TRP  36  -5.620  -2.916   2.434
  297    HD1  TRP  36           HD1      TRP  36  -8.457  -4.762   3.657
  298    HE1  TRP  36           HE1      TRP  36  -7.989  -5.839   5.948
  299    HE3  TRP  36           HE3      TRP  36  -4.285  -2.116   4.962
  300    HZ2  TRP  36           HZ2      TRP  36  -6.109  -5.595   8.029
  301    HZ3  TRP  36           HZ3      TRP  36  -3.214  -2.603   7.121
  302    HH2  TRP  36           HH2      TRP  36  -4.110  -4.305   8.621
  303    H    THR  37           H        THR  37  -5.472   0.897   3.938
  304    HA   THR  37           HA       THR  37  -3.516   0.794   1.739
  305    HB   THR  37           HB       THR  37  -5.314   2.378   1.146
  306    HG1  THR  37           HG1      THR  37  -3.672   4.309   1.205
  307   1HG2  THR  37          2HG2      THR  37  -5.959   3.044   3.410
  308   2HG2  THR  37          1HG2      THR  37  -4.405   3.850   3.628
  309   3HG2  THR  37          3HG2      THR  37  -5.554   4.455   2.433
  310    H    ARG  38           H        ARG  38  -2.034   3.063   2.324
  311    HA   ARG  38           HA       ARG  38  -0.676   2.217   4.727
  312   1HB   ARG  38           HB2      ARG  38  -0.034   3.982   2.427
  313   2HB   ARG  38           HB3      ARG  38   0.768   4.347   3.943
  314   1HG   ARG  38           HG2      ARG  38   1.740   2.187   4.038
  315   2HG   ARG  38           HG3      ARG  38   0.782   1.640   2.662
  316   1HD   ARG  38           HD2      ARG  38   3.245   2.345   2.327
  317   2HD   ARG  38           HD3      ARG  38   2.055   2.810   1.140
  318    HE   ARG  38           HE       ARG  38   2.084   5.028   2.191
  319   1HH1  ARG  38          1HH1      ARG  38   4.691   2.835   2.922
  320   2HH1  ARG  38          2HH1      ARG  38   5.830   4.094   3.265
  321   1HH2  ARG  38          1HH2      ARG  38   3.593   6.695   2.621
  322   2HH2  ARG  38          2HH2      ARG  38   5.205   6.284   3.099
  323    H    VAL  39           H        VAL  39  -0.369   3.363   6.588
  324    HA   VAL  39           HA       VAL  39  -2.449   4.880   7.601
  325    HB   VAL  39           HB       VAL  39   0.423   4.925   8.538
  326   1HG1  VAL  39          3HG1      VAL  39  -2.139   5.594   9.984
  327   2HG1  VAL  39          2HG1      VAL  39  -0.541   5.502  10.725
  328   3HG1  VAL  39          1HG1      VAL  39  -0.878   6.732   9.507
  329   1HG2  VAL  39          1HG2      VAL  39  -0.706   2.661   8.314
  330   2HG2  VAL  39          3HG2      VAL  39  -0.053   3.068   9.900
  331   3HG2  VAL  39          2HG2      VAL  39  -1.788   3.191   9.602
  332    H    GLY  40           H        GLY  40  -2.806   7.039   7.994
  333   1HA   GLY  40           HA3      GLY  40  -1.032   9.149   7.554
  334   2HA   GLY  40           HA2      GLY  40  -2.782   9.292   7.572
  335    H    PHE  41           H        PHE  41  -2.347   7.125   5.253
  336    HA   PHE  41           HA       PHE  41  -2.143   9.175   3.156
  337   1HB   PHE  41           HB2      PHE  41  -0.971   6.388   3.112
  338   2HB   PHE  41           HB3      PHE  41  -0.982   7.499   1.743
  339    HD1  PHE  41           HD1      PHE  41   1.243   6.178   3.772
  340    HD2  PHE  41           HD2      PHE  41  -0.349  10.035   2.967
  341    HE1  PHE  41           HE1      PHE  41   3.323   7.204   4.603
  342    HE2  PHE  41           HE2      PHE  41   1.733  11.074   3.782
  343    HZ   PHE  41           HZ       PHE  41   3.570   9.654   4.607
  344    H    VAL  42           H        VAL  42  -4.411   8.014   4.512
  345    HA   VAL  42           HA       VAL  42  -5.709   6.089   2.909
  346    HB   VAL  42           HB       VAL  42  -6.448   6.496   5.177
  347   1HG1  VAL  42          3HG1      VAL  42  -5.963   8.882   5.306
  348   2HG1  VAL  42          2HG1      VAL  42  -7.306   9.221   4.215
  349   3HG1  VAL  42          1HG1      VAL  42  -7.619   8.542   5.811
  350   1HG2  VAL  42          3HG2      VAL  42  -8.545   7.215   3.135
  351   2HG2  VAL  42          2HG2      VAL  42  -8.096   5.593   3.664
  352   3HG2  VAL  42          1HG2      VAL  42  -8.879   6.703   4.790
  353    H    GLY  43           H        GLY  43  -6.898   6.245   1.097
  354   1HA   GLY  43           HA3      GLY  43  -7.892   8.835   0.208
  355   2HA   GLY  43           HA2      GLY  43  -8.251   7.275  -0.518
  356    H    LYS  44           H        LYS  44  -4.951   8.030   0.155
  357    HA   LYS  44           HA       LYS  44  -4.334   9.290  -2.313
  358   1HB   LYS  44           HB2      LYS  44  -2.577   7.878  -0.303
  359   2HB   LYS  44           HB3      LYS  44  -1.979   8.807  -1.666
  360   1HG   LYS  44           HG2      LYS  44  -3.180  10.792  -0.742
  361   2HG   LYS  44           HG3      LYS  44  -3.543   9.826   0.690
  362   1HD   LYS  44           HD2      LYS  44  -1.174   9.533   1.126
  363   2HD   LYS  44           HD3      LYS  44  -0.773  10.418  -0.348
  364   1HE   LYS  44           HE2      LYS  44  -0.540  11.838   1.622
  365   2HE   LYS  44           HE3      LYS  44  -1.821  12.425   0.561
  366   1HZ   LYS  44           HZ1      LYS  44  -3.448  11.377   2.012
  367   2HZ   LYS  44           HZ3      LYS  44  -2.217  10.826   3.033
  368   3HZ   LYS  44           HZ2      LYS  44  -2.502  12.486   2.871
  369    H    ASP  45           H        ASP  45  -2.558   8.267  -3.746
  370    HA   ASP  45           HA       ASP  45  -3.500   5.598  -4.515
  371   1HB   ASP  45           HB2      ASP  45  -2.660   7.996  -5.998
  372   2HB   ASP  45           HB3      ASP  45  -2.038   6.482  -6.638
  373    H    VAL  46           H        VAL  46  -0.507   7.524  -4.479
  374    HA   VAL  46           HA       VAL  46   1.134   5.165  -4.699
  375    HB   VAL  46           HB       VAL  46   1.884   7.195  -5.779
  376   1HG1  VAL  46          1HG1      VAL  46   1.963   8.398  -3.016
  377   2HG1  VAL  46          3HG1      VAL  46   2.567   9.163  -4.485
  378   3HG1  VAL  46          2HG1      VAL  46   0.845   8.826  -4.312
  379   1HG2  VAL  46          2HG2      VAL  46   3.595   5.652  -4.975
  380   2HG2  VAL  46          1HG2      VAL  46   4.164   7.320  -4.907
  381   3HG2  VAL  46          3HG2      VAL  46   3.648   6.503  -3.432
  382    H    LEU  47           H        LEU  47   0.177   7.389  -2.164
  383    HA   LEU  47           HA       LEU  47   0.198   7.219   0.089
  384   1HB   LEU  47           HB2      LEU  47   1.524   4.547  -0.072
  385   2HB   LEU  47           HB3      LEU  47   0.438   5.168   1.151
  386    HG   LEU  47           HG       LEU  47  -0.359   4.404  -1.657
  387   1HD1  LEU  47          3HD1      LEU  47  -0.783   3.012   0.980
  388   2HD1  LEU  47          2HD1      LEU  47  -1.575   2.566  -0.532
  389   3HD1  LEU  47          1HD1      LEU  47   0.179   2.438  -0.382
  390   1HD2  LEU  47          1HD2      LEU  47  -1.993   5.357   0.686
  391   2HD2  LEU  47          3HD2      LEU  47  -1.760   6.181  -0.856
  392   3HD2  LEU  47          2HD2      LEU  47  -2.664   4.666  -0.791
  393    H    SER  48           H        SER  48   3.122   5.606  -1.126
  394    HA   SER  48           HA       SER  48   4.862   6.585   0.834
  395   1HB   SER  48           HB2      SER  48   6.634   5.889  -0.753
  396   2HB   SER  48           HB3      SER  48   5.407   4.653  -0.515
  397    HG   SER  48           HG       SER  48   6.189   5.764  -2.787
  398    H    ASP  49           H        ASP  49   7.043   7.606  -0.615
  399    HA   ASP  49           HA       ASP  49   6.266   9.952  -2.068
  400   1HB   ASP  49           HB2      ASP  49   5.976  10.341   0.558
  401   2HB   ASP  49           HB3      ASP  49   7.709  10.643   0.440
  402    H    GLU  50           H        GLU  50   8.943   9.350   0.175
  403    HA   GLU  50           HA       GLU  50  10.761   8.993  -2.086
  404   1HB   GLU  50           HB2      GLU  50  12.280  10.668  -1.279
  405   2HB   GLU  50           HB3      GLU  50  10.684  11.391  -1.451
  406   1HG   GLU  50           HG2      GLU  50  10.310  11.190   0.932
  407   2HG   GLU  50           HG3      GLU  50  11.891  10.433   1.126
  408    H    ILE  51           H        ILE  51   9.973   8.488   1.261
  409    HA   ILE  51           HA       ILE  51  12.434   7.355   2.095
  410    HB   ILE  51           HB       ILE  51   9.739   6.714   3.243
  411   1HG1  ILE  51          2HG1      ILE  51   9.895   9.114   2.982
  412   2HG1  ILE  51          3HG1      ILE  51  10.061   8.684   4.673
  413   1HG2  ILE  51          1HG2      ILE  51  12.519   6.799   4.405
  414   2HG2  ILE  51          3HG2      ILE  51  11.046   6.559   5.346
  415   3HG2  ILE  51          2HG2      ILE  51  11.521   5.369   4.133
  416   1HD1  ILE  51          2HD1      ILE  51  12.320   9.395   2.837
  417   2HD1  ILE  51          1HD1      ILE  51  11.610  10.445   4.062
  418   3HD1  ILE  51          3HD1      ILE  51  12.465   8.980   4.544
  419    H    LEU  52           H        LEU  52   9.321   5.736   1.663
  420    HA   LEU  52           HA       LEU  52  10.768   3.334   0.745
  421   1HB   LEU  52           HB2      LEU  52   9.014   3.649   2.904
  422   2HB   LEU  52           HB3      LEU  52   8.072   2.838   1.668
  423    HG   LEU  52           HG       LEU  52  10.683   1.879   2.830
  424   1HD1  LEU  52          2HD1      LEU  52   7.866   0.844   3.107
  425   2HD1  LEU  52          1HD1      LEU  52   9.312   0.057   3.738
  426   3HD1  LEU  52          3HD1      LEU  52   8.820   1.629   4.365
  427   1HD2  LEU  52          1HD2      LEU  52   8.900   0.638   0.742
  428   2HD2  LEU  52          3HD2      LEU  52  10.529   1.267   0.493
  429   3HD2  LEU  52          2HD2      LEU  52  10.277  -0.154   1.509
  430    H    GLU  53           H        GLU  53  10.584   3.335  -1.456
  431    HA   GLU  53           HA       GLU  53   8.513   4.452  -2.936
  432   1HB   GLU  53           HB2      GLU  53  10.919   3.192  -3.436
  433   2HB   GLU  53           HB3      GLU  53   9.737   2.117  -4.178
  434   1HG   GLU  53           HG2      GLU  53   9.506   5.014  -4.688
  435   2HG   GLU  53           HG3      GLU  53  10.824   4.134  -5.454
  436    H    VAL  54           H        VAL  54   6.579   3.793  -1.884
  437    HA   VAL  54           HA       VAL  54   5.877   0.964  -2.045
  438    HB   VAL  54           HB       VAL  54   4.266   3.214  -0.846
  439   1HG1  VAL  54          3HG1      VAL  54   4.017   0.220  -0.632
  440   2HG1  VAL  54          2HG1      VAL  54   3.065   1.388   0.284
  441   3HG1  VAL  54          1HG1      VAL  54   2.914   1.311  -1.471
  442   1HG2  VAL  54          3HG2      VAL  54   6.337   1.400   0.335
  443   2HG2  VAL  54          2HG2      VAL  54   6.146   3.144   0.517
  444   3HG2  VAL  54          1HG2      VAL  54   5.029   2.048   1.325
  445    H    VAL  55           H        VAL  55   5.490   0.658  -4.234
  446    HA   VAL  55           HA       VAL  55   3.570   2.349  -5.585
  447    HB   VAL  55           HB       VAL  55   4.746  -0.250  -6.552
  448   1HG1  VAL  55          2HG1      VAL  55   2.643   0.658  -7.618
  449   2HG1  VAL  55          1HG1      VAL  55   3.617   2.023  -8.163
  450   3HG1  VAL  55          3HG1      VAL  55   4.005   0.390  -8.709
  451   1HG2  VAL  55          3HG2      VAL  55   5.717   2.570  -7.003
  452   2HG2  VAL  55          2HG2      VAL  55   6.537   1.323  -6.064
  453   3HG2  VAL  55          1HG2      VAL  55   6.349   1.134  -7.808
  454    H    CYS  56           H        CYS  56   1.909   1.963  -4.063
  455    HA   CYS  56           HA       CYS  56   0.710  -0.687  -3.984
  456   1HB   CYS  56           HB2      CYS  56   0.811   0.368  -1.854
  457   2HB   CYS  56           HB3      CYS  56   0.148   1.870  -2.487
  458    HG   CYS  56           HG       CYS  56  -1.720   0.561  -0.803
  459    H    LYS  57           H        LYS  57  -1.114  -1.250  -4.985
  460    HA   LYS  57           HA       LYS  57  -2.653   0.847  -6.346
  461   1HB   LYS  57           HB2      LYS  57  -2.104  -1.866  -7.531
  462   2HB   LYS  57           HB3      LYS  57  -2.873  -0.495  -8.312
  463   1HG   LYS  57           HG2      LYS  57  -0.762   0.740  -8.224
  464   2HG   LYS  57           HG3      LYS  57   0.011  -0.650  -7.461
  465   1HD   LYS  57           HD2      LYS  57  -1.300  -0.701 -10.176
  466   2HD   LYS  57           HD3      LYS  57   0.431  -0.492  -9.905
  467   1HE   LYS  57           HE2      LYS  57   0.514  -2.668  -8.783
  468   2HE   LYS  57           HE3      LYS  57  -1.215  -2.877  -9.065
  469   1HZ   LYS  57           HZ2      LYS  57   0.861  -2.621 -11.175
  470   2HZ   LYS  57           HZ1      LYS  57   0.097  -4.057 -10.710
  471   3HZ   LYS  57           HZ3      LYS  57  -0.796  -2.823 -11.444
  472    H    TYR  58           H        TYR  58  -4.652   0.848  -5.668
  473    HA   TYR  58           HA       TYR  58  -5.749  -1.431  -4.262
  474   1HB   TYR  58           HB2      TYR  58  -6.060   0.980  -3.526
  475   2HB   TYR  58           HB3      TYR  58  -7.125   1.185  -4.912
  476    HD1  TYR  58           HD1      TYR  58  -8.847  -1.033  -5.007
  477    HD2  TYR  58           HD2      TYR  58  -7.223   0.862  -1.534
  478    HE1  TYR  58           HE1      TYR  58 -10.747  -1.859  -3.695
  479    HE2  TYR  58           HE2      TYR  58  -9.150   0.045  -0.225
  480    HH   TYR  58           HH       TYR  58 -11.231  -2.344  -1.266
  481    H    THR  59           H        THR  59  -6.220  -3.039  -5.673
  482    HA   THR  59           HA       THR  59  -7.574  -2.441  -8.182
  483    HB   THR  59           HB       THR  59  -6.708  -5.131  -7.108
  484    HG1  THR  59           HG1      THR  59  -5.261  -3.937  -9.148
  485   1HG2  THR  59          2HG2      THR  59  -7.410  -4.213  -9.901
  486   2HG2  THR  59          1HG2      THR  59  -6.822  -5.817  -9.465
  487   3HG2  THR  59          3HG2      THR  59  -8.389  -5.262  -8.877
  488    HA   PRO  60           HA       PRO  60 -11.416  -3.787  -6.247
  489   1HB   PRO  60           HB2      PRO  60 -12.938  -1.853  -7.247
  490   2HB   PRO  60           HB3      PRO  60 -11.738  -1.483  -6.008
  491   1HG   PRO  60           HG2      PRO  60 -11.709  -0.867  -8.902
  492   2HG   PRO  60           HG3      PRO  60 -10.888  -0.041  -7.569
  493   1HD   PRO  60           HD2      PRO  60  -9.835  -2.035  -9.367
  494   2HD   PRO  60           HD3      PRO  60  -8.993  -1.135  -8.090
  495    H    THR  61           H        THR  61 -11.543  -5.748  -7.483
  496    HA   THR  61           HA       THR  61 -12.202  -5.711 -10.267
  497    HB   THR  61           HB       THR  61 -12.811  -8.191  -8.819
  498    HG1  THR  61           HG1      THR  61 -10.259  -8.317  -8.774
  499   1HG2  THR  61          1HG2      THR  61 -10.937  -7.502 -11.085
  500   2HG2  THR  61          3HG2      THR  61 -11.342  -9.134 -10.551
  501   3HG2  THR  61          2HG2      THR  61 -12.590  -8.098 -11.245
  502    HA   PRO  62           HA       PRO  62 -16.589  -5.163  -9.995
  503   1HB   PRO  62           HB2      PRO  62 -16.737  -6.815 -12.440
  504   2HB   PRO  62           HB3      PRO  62 -17.258  -5.148 -12.176
  505   1HG   PRO  62           HG2      PRO  62 -15.088  -5.717 -13.638
  506   2HG   PRO  62           HG3      PRO  62 -15.154  -4.286 -12.593
  507   1HD   PRO  62           HD2      PRO  62 -13.792  -6.911 -12.127
  508   2HD   PRO  62           HD3      PRO  62 -13.234  -5.267 -11.753
  509    H    SER  63           H        SER  63 -17.632  -6.300  -8.477
  510    HA   SER  63           HA       SER  63 -17.738  -9.223  -8.703
  511   1HB   SER  63           HB2      SER  63 -18.340  -7.397  -6.365
  512   2HB   SER  63           HB3      SER  63 -18.492  -9.152  -6.334
  513    HG   SER  63           HG       SER  63 -16.149  -8.975  -7.120
  514    H    SER  64           H        SER  64 -19.953  -9.909  -7.393
  515    HA   SER  64           HA       SER  64 -22.024  -9.318  -9.265
  516   1HB   SER  64           HB2      SER  64 -23.409 -10.809  -7.864
  517   2HB   SER  64           HB3      SER  64 -21.845 -11.534  -8.239
  518    HG   SER  64           HG       SER  64 -21.871 -11.818  -6.133
  519    H    THR  65           H        THR  65 -20.886  -7.652  -6.628
  520    HA   THR  65           HA       THR  65 -23.237  -6.744  -5.376
  521    HB   THR  65           HB       THR  65 -21.865  -4.860  -4.555
  522    HG1  THR  65           HG1      THR  65 -20.103  -4.306  -5.588
  523   1HG2  THR  65          1HG2      THR  65 -21.747  -7.013  -3.403
  524   2HG2  THR  65          3HG2      THR  65 -20.450  -7.528  -4.482
  525   3HG2  THR  65          2HG2      THR  65 -20.187  -6.194  -3.360
  526    HA   PRO  66           HA       PRO  66 -24.881  -3.823  -8.258
  527   1HB   PRO  66           HB2      PRO  66 -26.012  -1.992  -6.637
  528   2HB   PRO  66           HB3      PRO  66 -26.643  -3.638  -6.769
  529   1HG   PRO  66           HG2      PRO  66 -24.834  -2.462  -4.686
  530   2HG   PRO  66           HG3      PRO  66 -26.273  -3.477  -4.465
  531   1HD   PRO  66           HD2      PRO  66 -23.757  -4.476  -4.366
  532   2HD   PRO  66           HD3      PRO  66 -25.132  -5.419  -4.975
  533    H    MET  67           H        MET  67 -25.187  -1.043  -7.821
  534    HA   MET  67           HA       MET  67 -22.696  -0.089  -8.747
  535   1HB   MET  67           HB2      MET  67 -24.881   0.927  -9.332
  536   2HB   MET  67           HB3      MET  67 -25.036   1.499  -7.678
  537   1HG   MET  67           HG2      MET  67 -23.047   2.879  -7.961
  538   2HG   MET  67           HG3      MET  67 -22.875   2.297  -9.615
  539   1HE   MET  67           HE1      MET  67 -26.202   3.195  -7.703
  540   2HE   MET  67           HE3      MET  67 -25.055   4.405  -7.127
  541   3HE   MET  67           HE2      MET  67 -26.405   4.888  -8.154
  542    H    VAL  68           H        VAL  68 -23.840  -0.708  -5.635
  543    HA   VAL  68           HA       VAL  68 -22.024   1.211  -4.371
  544    HB   VAL  68           HB       VAL  68 -24.021  -0.659  -3.085
  545   1HG1  VAL  68          2HG1      VAL  68 -22.428   1.631  -1.936
  546   2HG1  VAL  68          1HG1      VAL  68 -23.682   0.729  -1.086
  547   3HG1  VAL  68          3HG1      VAL  68 -22.197  -0.082  -1.585
  548   1HG2  VAL  68          3HG2      VAL  68 -24.217   2.293  -3.671
  549   2HG2  VAL  68          2HG2      VAL  68 -25.133   1.009  -4.461
  550   3HG2  VAL  68          1HG2      VAL  68 -25.387   1.349  -2.750
  551    H    GLY  69           H        GLY  69 -19.983   0.514  -4.244
  552   1HA   GLY  69           HA3      GLY  69 -19.482  -2.053  -2.941
  553   2HA   GLY  69           HA2      GLY  69 -18.311  -0.766  -3.186
  554    H    VAL  70           H        VAL  70 -16.950  -2.623  -3.844
  555    HA   VAL  70           HA       VAL  70 -17.482  -3.442  -6.618
  556    HB   VAL  70           HB       VAL  70 -14.736  -2.773  -5.577
  557   1HG1  VAL  70          1HG1      VAL  70 -15.851  -3.374  -8.308
  558   2HG1  VAL  70          3HG1      VAL  70 -14.253  -2.679  -8.045
  559   3HG1  VAL  70          2HG1      VAL  70 -14.634  -4.279  -7.411
  560   1HG2  VAL  70          1HG2      VAL  70 -16.586  -1.058  -7.232
  561   2HG2  VAL  70          3HG2      VAL  70 -16.084  -0.746  -5.571
  562   3HG2  VAL  70          2HG2      VAL  70 -14.898  -0.697  -6.875
  563    H    GLY  71           H        GLY  71 -14.495  -4.342  -5.247
  564   1HA   GLY  71           HA3      GLY  71 -15.450  -7.106  -5.021
  565   2HA   GLY  71           HA2      GLY  71 -14.607  -6.394  -3.659
  566    H    GLY  72           H        GLY  72 -12.390  -5.909  -3.845
  567   1HA   GLY  72           HA3      GLY  72 -10.601  -5.925  -5.774
  568   2HA   GLY  72           HA2      GLY  72 -11.027  -7.630  -5.781
  569    H    ILE  73           H        ILE  73  -8.539  -5.984  -5.000
  570    HA   ILE  73           HA       ILE  73  -8.233  -6.888  -2.239
  571    HB   ILE  73           HB       ILE  73  -6.031  -7.841  -2.713
  572   1HG1  ILE  73          2HG1      ILE  73  -6.616  -8.028  -5.618
  573   2HG1  ILE  73          3HG1      ILE  73  -5.967  -6.510  -4.997
  574   1HG2  ILE  73          2HG2      ILE  73  -8.103  -9.226  -2.622
  575   2HG2  ILE  73          1HG2      ILE  73  -8.085  -9.234  -4.386
  576   3HG2  ILE  73          3HG2      ILE  73  -6.740  -9.944  -3.485
  577   1HD1  ILE  73          3HD1      ILE  73  -4.078  -7.742  -4.026
  578   2HD1  ILE  73          2HD1      ILE  73  -4.714  -9.232  -4.725
  579   3HD1  ILE  73          1HD1      ILE  73  -4.176  -7.923  -5.779
  580    H    TYR  74           H        TYR  74  -5.520  -6.398  -2.002
  581    HA   TYR  74           HA       TYR  74  -5.139  -3.611  -2.807
  582   1HB   TYR  74           HB2      TYR  74  -4.462  -4.380   0.001
  583   2HB   TYR  74           HB3      TYR  74  -4.888  -2.802  -0.655
  584    HD1  TYR  74           HD1      TYR  74  -6.239  -6.016   0.547
  585    HD2  TYR  74           HD2      TYR  74  -7.173  -2.087  -0.781
  586    HE1  TYR  74           HE1      TYR  74  -8.532  -6.293   1.370
  587    HE2  TYR  74           HE2      TYR  74  -9.474  -2.360   0.047
  588    HH   TYR  74           HH       TYR  74 -10.414  -4.889   2.092
  589    H    VAL  75           H        VAL  75  -3.372  -3.987  -4.102
  590    HA   VAL  75           HA       VAL  75  -1.241  -5.696  -3.114
  591    HB   VAL  75           HB       VAL  75  -1.997  -5.932  -5.480
  592   1HG1  VAL  75          2HG1      VAL  75  -0.828  -3.170  -5.735
  593   2HG1  VAL  75          1HG1      VAL  75  -1.142  -4.236  -7.103
  594   3HG1  VAL  75          3HG1      VAL  75  -2.477  -3.683  -6.094
  595   1HG2  VAL  75          1HG2      VAL  75   0.871  -5.113  -5.048
  596   2HG2  VAL  75          3HG2      VAL  75   0.186  -6.722  -4.823
  597   3HG2  VAL  75          2HG2      VAL  75   0.272  -6.018  -6.439
  598    H    VAL  76           H        VAL  76   0.644  -4.959  -2.395
  599    HA   VAL  76           HA       VAL  76   1.199  -2.080  -2.641
  600    HB   VAL  76           HB       VAL  76   1.544  -3.673  -0.104
  601   1HG1  VAL  76          3HG1      VAL  76   1.934  -0.748  -0.707
  602   2HG1  VAL  76          2HG1      VAL  76   1.991  -1.467   0.902
  603   3HG1  VAL  76          1HG1      VAL  76   3.190  -1.920  -0.311
  604   1HG2  VAL  76          2HG2      VAL  76  -0.820  -3.296  -0.617
  605   2HG2  VAL  76          1HG2      VAL  76  -0.303  -2.364   0.788
  606   3HG2  VAL  76          3HG2      VAL  76  -0.507  -1.568  -0.771
  607    H    LEU  77           H        LEU  77   2.921  -2.240  -4.063
  608    HA   LEU  77           HA       LEU  77   5.097  -4.051  -3.544
  609   1HB   LEU  77           HB2      LEU  77   4.761  -1.784  -5.505
  610   2HB   LEU  77           HB3      LEU  77   6.172  -2.826  -5.444
  611    HG   LEU  77           HG       LEU  77   4.613  -3.470  -7.217
  612   1HD1  LEU  77          1HD1      LEU  77   5.183  -5.302  -4.945
  613   2HD1  LEU  77          3HD1      LEU  77   4.211  -5.887  -6.298
  614   3HD1  LEU  77          2HD1      LEU  77   5.848  -5.296  -6.583
  615   1HD2  LEU  77          3HD2      LEU  77   2.532  -2.732  -6.147
  616   2HD2  LEU  77          2HD2      LEU  77   2.437  -4.381  -6.764
  617   3HD2  LEU  77          1HD2      LEU  77   2.648  -4.098  -5.037
  618    H    VAL  78           H        VAL  78   6.269  -3.600  -1.759
  619    HA   VAL  78           HA       VAL  78   6.896  -0.806  -1.166
  620    HB   VAL  78           HB       VAL  78   8.045  -2.609   0.732
  621   1HG1  VAL  78          1HG1      VAL  78   5.747  -0.651   0.906
  622   2HG1  VAL  78          3HG1      VAL  78   6.584  -1.370   2.284
  623   3HG1  VAL  78          2HG1      VAL  78   7.454  -0.294   1.192
  624   1HG2  VAL  78          2HG2      VAL  78   5.117  -3.058   0.201
  625   2HG2  VAL  78          1HG2      VAL  78   6.411  -4.235  -0.016
  626   3HG2  VAL  78          3HG2      VAL  78   6.010  -3.655   1.599
  627    H    LYS  79           H        LYS  79   8.659  -0.001  -2.044
  628    HA   LYS  79           HA       LYS  79  11.007  -1.743  -2.393
  629   1HB   LYS  79           HB2      LYS  79   9.805   0.355  -4.149
  630   2HB   LYS  79           HB3      LYS  79  11.544   0.104  -4.201
  631   1HG   LYS  79           HG2      LYS  79  11.185  -2.249  -4.767
  632   2HG   LYS  79           HG3      LYS  79   9.430  -1.990  -4.725
  633   1HD   LYS  79           HD2      LYS  79  11.292  -0.451  -6.529
  634   2HD   LYS  79           HD3      LYS  79  10.496  -1.948  -7.014
  635   1HE   LYS  79           HE2      LYS  79   9.108   0.571  -6.108
  636   2HE   LYS  79           HE3      LYS  79   9.262   0.025  -7.777
  637   1HZ   LYS  79           HZ1      LYS  79   8.005  -1.967  -7.186
  638   2HZ   LYS  79           HZ3      LYS  79   7.828  -1.401  -5.602
  639   3HZ   LYS  79           HZ2      LYS  79   7.112  -0.564  -6.885
  640    HA   PRO  80           HA       PRO  80  12.482   1.127   0.829
  641   1HB   PRO  80           HB2      PRO  80  15.044  -0.042   0.650
  642   2HB   PRO  80           HB3      PRO  80  13.802  -0.376   1.854
  643   1HG   PRO  80           HG2      PRO  80  14.522  -1.889  -0.587
  644   2HG   PRO  80           HG3      PRO  80  13.844  -2.474   0.943
  645   1HD   PRO  80           HD2      PRO  80  12.361  -2.289  -1.293
  646   2HD   PRO  80           HD3      PRO  80  11.679  -1.992   0.320
  647    H    ARG  81           H        ARG  81  12.544   3.038  -0.218
  648    HA   ARG  81           HA       ARG  81  14.234   3.583  -2.449
  649   1HB   ARG  81           HB2      ARG  81  12.107   4.857  -1.000
  650   2HB   ARG  81           HB3      ARG  81  13.419   5.990  -1.236
  651   1HG   ARG  81           HG2      ARG  81  13.304   5.811  -3.573
  652   2HG   ARG  81           HG3      ARG  81  12.262   4.387  -3.475
  653   1HD   ARG  81           HD2      ARG  81  10.425   5.619  -2.818
  654   2HD   ARG  81           HD3      ARG  81  11.390   6.966  -2.253
  655    HE   ARG  81           HE       ARG  81  11.889   7.011  -4.881
  656   1HH1  ARG  81          1HH1      ARG  81   8.896   6.739  -3.119
  657   2HH1  ARG  81          2HH1      ARG  81   7.961   7.549  -4.331
  658   1HH2  ARG  81          1HH2      ARG  81  10.666   8.077  -6.481
  659   2HH2  ARG  81          2HH2      ARG  81   8.967   8.309  -6.243
  660    H    LYS  82           H        LYS  82  14.346   4.335   1.011
  661    HA   LYS  82           HA       LYS  82  17.093   5.329   0.638
  662   1HB   LYS  82           HB2      LYS  82  15.147   5.963   2.862
  663   2HB   LYS  82           HB3      LYS  82  16.778   6.598   2.718
  664   1HG   LYS  82           HG2      LYS  82  16.155   7.730   0.644
  665   2HG   LYS  82           HG3      LYS  82  14.514   7.099   0.800
  666   1HD   LYS  82           HD2      LYS  82  14.315   8.271   2.972
  667   2HD   LYS  82           HD3      LYS  82  15.914   8.971   2.707
  668   1HE   LYS  82           HE2      LYS  82  13.496   9.355   0.946
  669   2HE   LYS  82           HE3      LYS  82  14.140  10.533   2.089
  670   1HZ   LYS  82           HZ1      LYS  82  15.572   9.473  -0.288
  671   2HZ   LYS  82           HZ3      LYS  82  14.858  11.003  -0.168
  672   3HZ   LYS  82           HZ2      LYS  82  16.185  10.610   0.805
  673    H    ARG  83           H        ARG  83  18.603   4.884   2.402
  674    HA   ARG  83           HA       ARG  83  18.209   2.175   3.426
  675   1HB   ARG  83           HB2      ARG  83  20.704   3.878   3.347
  676   2HB   ARG  83           HB3      ARG  83  20.625   2.191   3.836
  677   1HG   ARG  83           HG2      ARG  83  19.987   1.528   1.610
  678   2HG   ARG  83           HG3      ARG  83  19.910   3.215   1.096
  679   1HD   ARG  83           HD2      ARG  83  22.296   3.464   1.522
  680   2HD   ARG  83           HD3      ARG  83  22.384   1.788   2.065
  681    HE   ARG  83           HE       ARG  83  21.320   1.936  -0.557
  682   1HH1  ARG  83          1HH1      ARG  83  24.308   2.200   1.219
  683   2HH1  ARG  83          2HH1      ARG  83  25.295   1.711  -0.118
  684   1HH2  ARG  83          1HH2      ARG  83  22.612   1.291  -2.321
  685   2HH2  ARG  83          2HH2      ARG  83  24.331   1.195  -2.130
  686    H    GLY  84           H        GLY  84  17.869   1.743   5.512
  687   1HA   GLY  84           HA3      GLY  84  17.718   3.973   7.378
  688   2HA   GLY  84           HA2      GLY  84  18.878   2.716   7.778
  689    H    HIS  85           H        HIS  85  15.841   3.770   8.385
  690    HA   HIS  85           HA       HIS  85  14.868   1.055   8.990
  691   1HB   HIS  85           HB2      HIS  85  14.497   3.563  10.641
  692   2HB   HIS  85           HB3      HIS  85  13.803   1.988  11.010
  693    HD1  HIS  85           HD1      HIS  85  16.840   4.002  11.432
  694    HD2  HIS  85           HD2      HIS  85  15.762   0.002  11.755
  695    HE1  HIS  85           HE1      HIS  85  18.700   2.907  12.723
  696    HE2  HIS  85           HE2      HIS  85  18.064   0.471  12.836
  697    H    HIS  86           H        HIS  86  13.430   0.756   7.368
  698    HA   HIS  86           HA       HIS  86  11.351   2.807   6.994
  699   1HB   HIS  86           HB2      HIS  86  12.365   0.676   5.105
  700   2HB   HIS  86           HB3      HIS  86  10.951   1.678   4.787
  701    HD1  HIS  86           HD1      HIS  86  13.948   3.220   6.382
  702    HD2  HIS  86           HD2      HIS  86  12.230   2.909   2.613
  703    HE1  HIS  86           HE1      HIS  86  15.150   4.905   4.955
  704    HE2  HIS  86           HE2      HIS  86  14.025   4.767   2.705
  705    H    THR  87           H        THR  87   9.178   1.923   6.383
  706    HA   THR  87           HA       THR  87   8.534  -0.751   7.209
  707    HB   THR  87           HB       THR  87   7.764   1.581   8.964
  708    HG1  THR  87           HG1      THR  87   8.588  -0.140  10.525
  709   1HG2  THR  87          3HG2      THR  87   6.629  -1.213   8.893
  710   2HG2  THR  87          2HG2      THR  87   6.418  -0.092  10.239
  711   3HG2  THR  87          1HG2      THR  87   5.758   0.304   8.651
  712    H    LEU  88           H        LEU  88   6.353  -1.332   6.794
  713    HA   LEU  88           HA       LEU  88   4.861   0.627   5.181
  714   1HB   LEU  88           HB2      LEU  88   5.704  -1.096   3.736
  715   2HB   LEU  88           HB3      LEU  88   5.136  -2.351   4.814
  716    HG   LEU  88           HG       LEU  88   2.781  -1.523   4.329
  717   1HD1  LEU  88          3HD1      LEU  88   3.413   0.672   3.464
  718   2HD1  LEU  88          2HD1      LEU  88   4.210  -0.100   2.092
  719   3HD1  LEU  88          1HD1      LEU  88   2.463  -0.241   2.291
  720   1HD2  LEU  88          2HD2      LEU  88   3.914  -3.540   3.310
  721   2HD2  LEU  88          1HD2      LEU  88   2.574  -2.852   2.393
  722   3HD2  LEU  88          3HD2      LEU  88   4.236  -2.527   1.904
  723    H    GLU  89           H        GLU  89   3.872   1.224   7.207
  724    HA   GLU  89           HA       GLU  89   2.233  -0.718   8.574
  725   1HB   GLU  89           HB2      GLU  89   1.417   1.610   9.633
  726   2HB   GLU  89           HB3      GLU  89   2.882   0.783  10.149
  727   1HG   GLU  89           HG2      GLU  89   4.251   2.198   8.849
  728   2HG   GLU  89           HG3      GLU  89   2.861   2.863   7.996
  729    H    LEU  90           H        LEU  90   0.489  -1.411   7.580
  730    HA   LEU  90           HA       LEU  90  -1.159   0.465   6.044
  731   1HB   LEU  90           HB2      LEU  90  -1.131  -2.552   6.130
  732   2HB   LEU  90           HB3      LEU  90  -2.282  -1.608   5.207
  733    HG   LEU  90           HG       LEU  90   0.708  -1.565   4.780
  734   1HD1  LEU  90          1HD1      LEU  90  -1.468  -2.932   3.202
  735   2HD1  LEU  90          3HD1      LEU  90   0.232  -2.830   2.742
  736   3HD1  LEU  90          2HD1      LEU  90  -0.238  -3.728   4.185
  737   1HD2  LEU  90          2HD2      LEU  90  -1.563  -0.356   3.206
  738   2HD2  LEU  90          1HD2      LEU  90  -0.352   0.519   4.142
  739   3HD2  LEU  90          3HD2      LEU  90   0.129  -0.384   2.706
  740    H    VAL  91           H        VAL  91  -3.469   0.457   6.337
  741    HA   VAL  91           HA       VAL  91  -4.467  -0.733   8.806
  742    HB   VAL  91           HB       VAL  91  -5.615   1.663   9.115
  743   1HG1  VAL  91          3HG1      VAL  91  -2.964   0.731  10.180
  744   2HG1  VAL  91          2HG1      VAL  91  -3.820   2.140  10.806
  745   3HG1  VAL  91          1HG1      VAL  91  -4.561   0.541  10.908
  746   1HG2  VAL  91          3HG2      VAL  91  -4.408   2.667   7.229
  747   2HG2  VAL  91          2HG2      VAL  91  -4.021   3.459   8.758
  748   3HG2  VAL  91          1HG2      VAL  91  -2.877   2.324   8.038
  749    H    TYR  92           H        TYR  92  -6.764  -0.641   9.024
  750    HA   TYR  92           HA       TYR  92  -8.164  -0.643   6.456
  751   1HB   TYR  92           HB2      TYR  92  -8.259  -2.497   8.322
  752   2HB   TYR  92           HB3      TYR  92  -9.404  -1.404   9.089
  753    HD1  TYR  92           HD1      TYR  92 -11.483  -2.404   8.905
  754    HD2  TYR  92           HD2      TYR  92  -8.949  -2.283   5.489
  755    HE1  TYR  92           HE1      TYR  92 -13.293  -3.352   7.538
  756    HE2  TYR  92           HE2      TYR  92 -10.754  -3.226   4.111
  757    HH   TYR  92           HH       TYR  92 -13.971  -3.439   5.186
  758    H    THR  93           H        THR  93  -7.837   1.748   6.506
  759    HA   THR  93           HA       THR  93  -9.381   3.283   8.421
  760    HB   THR  93           HB       THR  93  -7.366   4.329   7.849
  761    HG1  THR  93           HG1      THR  93  -9.208   5.595   6.094
  762   1HG2  THR  93          2HG2      THR  93  -8.069   3.826   4.957
  763   2HG2  THR  93          1HG2      THR  93  -6.686   4.772   5.508
  764   3HG2  THR  93          3HG2      THR  93  -6.781   3.052   5.881
  765    H    ARG  94           H        ARG  94 -10.802   5.063   7.619
  766    HA   ARG  94           HA       ARG  94 -12.534   4.081   5.469
  767   1HB   ARG  94           HB2      ARG  94 -13.119   4.830   8.094
  768   2HB   ARG  94           HB3      ARG  94 -13.666   6.180   7.111
  769   1HG   ARG  94           HG2      ARG  94 -14.933   4.588   5.722
  770   2HG   ARG  94           HG3      ARG  94 -14.478   3.304   6.841
  771   1HD   ARG  94           HD2      ARG  94 -15.705   4.249   8.602
  772   2HD   ARG  94           HD3      ARG  94 -15.846   5.801   7.783
  773    HE   ARG  94           HE       ARG  94 -17.145   4.119   6.123
  774   1HH1  ARG  94          1HH1      ARG  94 -17.385   4.739   9.542
  775   2HH1  ARG  94          2HH1      ARG  94 -19.071   4.357   9.626
  776   1HH2  ARG  94          1HH2      ARG  94 -19.367   3.613   6.222
  777   2HH2  ARG  94          2HH2      ARG  94 -20.198   3.716   7.738
  778    HA   PRO  95           HA       PRO  95 -10.453   7.639   3.384
  779   1HB   PRO  95           HB2      PRO  95 -12.238   6.451   1.297
  780   2HB   PRO  95           HB3      PRO  95 -10.583   7.047   1.149
  781   1HG   PRO  95           HG2      PRO  95 -11.039   4.438   1.268
  782   2HG   PRO  95           HG3      PRO  95  -9.675   5.147   2.153
  783   1HD   PRO  95           HD2      PRO  95 -12.305   4.182   3.182
  784   2HD   PRO  95           HD3      PRO  95 -10.700   4.106   3.935
  785    H    PHE  96           H        PHE  96 -13.854   6.705   3.412
  786    HA   PHE  96           HA       PHE  96 -14.879   9.164   2.489
  787   1HB   PHE  96           HB2      PHE  96 -16.161   6.958   4.105
  788   2HB   PHE  96           HB3      PHE  96 -17.020   8.263   3.313
  789    HD1  PHE  96           HD1      PHE  96 -17.562   8.172   1.022
  790    HD2  PHE  96           HD2      PHE  96 -14.916   5.300   2.714
  791    HE1  PHE  96           HE1      PHE  96 -17.688   6.842  -1.045
  792    HE2  PHE  96           HE2      PHE  96 -15.035   3.966   0.652
  793    HZ   PHE  96           HZ       PHE  96 -16.423   4.737  -1.233
  794    H    GLU  97           H        GLU  97 -14.001   7.946   5.655
  795    HA   GLU  97           HA       GLU  97 -14.909  10.487   6.840
  796   1HB   GLU  97           HB2      GLU  97 -14.511   7.845   8.253
  797   2HB   GLU  97           HB3      GLU  97 -15.135   9.326   8.965
  798   1HG   GLU  97           HG2      GLU  97 -16.456   7.735   6.779
  799   2HG   GLU  97           HG3      GLU  97 -16.907   7.723   8.482
  800    H    GLY  98           H        GLY  98 -12.731   8.019   8.143
  801   1HA   GLY  98           HA3      GLY  98 -10.928   9.821   9.272
  802   2HA   GLY  98           HA2      GLY  98 -10.306   9.409   7.680
  803    H    ILE  99           H        ILE  99  -8.742   8.797   9.712
  804    HA   ILE  99           HA       ILE  99  -8.919   5.874   9.788
  805    HB   ILE  99           HB       ILE  99  -6.482   7.453  10.511
  806   1HG1  ILE  99          2HG1      ILE  99  -7.101   6.496   7.721
  807   2HG1  ILE  99          3HG1      ILE  99  -7.432   8.145   8.242
  808   1HG2  ILE  99          2HG2      ILE  99  -7.105   4.650   9.672
  809   2HG2  ILE  99          1HG2      ILE  99  -5.484   5.312   9.436
  810   3HG2  ILE  99          3HG2      ILE  99  -6.173   5.224  11.057
  811   1HD1  ILE  99          2HD1      ILE  99  -5.054   8.446   8.731
  812   2HD1  ILE  99          1HD1      ILE  99  -4.739   6.796   8.193
  813   3HD1  ILE  99          3HD1      ILE  99  -5.327   8.001   7.046
  814    H    LYS 100           H        LYS 100  -9.626   5.002  11.591
  815    HA   LYS 100           HA       LYS 100  -9.177   6.387  14.146
  816   1HB   LYS 100           HB2      LYS 100 -11.089   4.113  13.909
  817   2HB   LYS 100           HB3      LYS 100 -11.182   5.552  14.912
  818   1HG   LYS 100           HG2      LYS 100 -11.748   6.893  12.955
  819   2HG   LYS 100           HG3      LYS 100 -11.661   5.450  11.943
  820   1HD   LYS 100           HD2      LYS 100 -13.738   4.866  12.488
  821   2HD   LYS 100           HD3      LYS 100 -13.376   4.995  14.210
  822   1HE   LYS 100           HE2      LYS 100 -13.757   7.411  14.105
  823   2HE   LYS 100           HE3      LYS 100 -14.137   7.273  12.388
  824   1HZ   LYS 100           HZ1      LYS 100 -15.649   5.990  14.599
  825   2HZ   LYS 100           HZ3      LYS 100 -16.139   7.357  13.731
  826   3HZ   LYS 100           HZ2      LYS 100 -16.014   5.861  12.953
  827    HA   PRO 101           HA       PRO 101  -6.646   3.127  15.723
  828   1HB   PRO 101           HB2      PRO 101  -8.346   2.640  18.064
  829   2HB   PRO 101           HB3      PRO 101  -6.719   3.311  17.986
  830   1HG   PRO 101           HG2      PRO 101  -8.853   4.818  18.616
  831   2HG   PRO 101           HG3      PRO 101  -7.482   5.458  17.698
  832   1HD   PRO 101           HD2      PRO 101 -10.156   4.546  16.708
  833   2HD   PRO 101           HD3      PRO 101  -9.213   5.973  16.232
  834    H    GLU 102           H        GLU 102 -10.086   2.405  15.929
  835    HA   GLU 102           HA       GLU 102  -9.967  -0.354  16.289
  836   1HB   GLU 102           HB2      GLU 102 -12.038   1.127  14.669
  837   2HB   GLU 102           HB3      GLU 102 -12.237  -0.420  15.479
  838   1HG   GLU 102           HG2      GLU 102 -11.957   0.681  17.643
  839   2HG   GLU 102           HG3      GLU 102 -11.773   2.231  16.823
  840    H    ASN 103           H        ASN 103  -9.144   1.512  13.538
  841    HA   ASN 103           HA       ASN 103  -9.692  -0.230  11.436
  842   1HB   ASN 103           HB2      ASN 103  -7.355   1.656  11.746
  843   2HB   ASN 103           HB3      ASN 103  -7.847   0.899  10.235
  844   1HD2  ASN 103          1HD2      ASN 103 -10.713   1.173  11.065
  845   2HD2  ASN 103          2HD2      ASN 103 -11.098   2.827  10.750
  846    H    GLU 104           H        GLU 104  -8.843  -2.077  10.713
  847    HA   GLU 104           HA       GLU 104  -7.232  -3.704  12.252
  848   1HB   GLU 104           HB2      GLU 104  -8.694  -4.148  10.101
  849   2HB   GLU 104           HB3      GLU 104  -7.159  -3.942   9.272
  850   1HG   GLU 104           HG2      GLU 104  -6.201  -5.777  10.384
  851   2HG   GLU 104           HG3      GLU 104  -7.524  -5.856  11.546
  852    H    ARG 105           H        ARG 105  -5.015  -4.499  11.747
  853    HA   ARG 105           HA       ARG 105  -3.346  -2.333  10.654
  854   1HB   ARG 105           HB2      ARG 105  -3.288  -2.382  13.134
  855   2HB   ARG 105           HB3      ARG 105  -2.671  -4.028  13.061
  856   1HG   ARG 105           HG2      ARG 105  -0.623  -3.180  13.019
  857   2HG   ARG 105           HG3      ARG 105  -0.990  -2.544  11.411
  858   1HD   ARG 105           HD2      ARG 105  -1.695  -0.457  12.294
  859   2HD   ARG 105           HD3      ARG 105  -1.662  -1.075  13.946
  860    HE   ARG 105           HE       ARG 105   0.897  -1.379  13.117
  861   1HH1  ARG 105          1HH1      ARG 105  -1.313   1.316  13.142
  862   2HH1  ARG 105          2HH1      ARG 105  -0.066   2.503  13.322
  863   1HH2  ARG 105          1HH2      ARG 105   2.545   0.178  13.354
  864   2HH2  ARG 105          2HH2      ARG 105   2.128   1.858  13.443
  865    H    TYR 106           H        TYR 106  -1.370  -2.900   9.750
  866    HA   TYR 106           HA       TYR 106  -0.459  -5.579   9.505
  867   1HB   TYR 106           HB2      TYR 106  -2.332  -5.685   7.973
  868   2HB   TYR 106           HB3      TYR 106  -1.690  -4.325   7.052
  869    HD1  TYR 106           HD1      TYR 106  -1.626  -7.868   7.625
  870    HD2  TYR 106           HD2      TYR 106   0.479  -4.662   5.791
  871    HE1  TYR 106           HE1      TYR 106  -0.403  -9.475   6.239
  872    HE2  TYR 106           HE2      TYR 106   1.715  -6.264   4.398
  873    HH   TYR 106           HH       TYR 106   2.353  -8.640   4.445
  874    H    THR 107           H        THR 107   1.308  -4.542  10.358
  875    HA   THR 107           HA       THR 107   2.641  -2.500   8.763
  876    HB   THR 107           HB       THR 107   3.683  -3.548  11.367
  877    HG1  THR 107           HG1      THR 107   2.197  -1.507  11.970
  878   1HG2  THR 107          2HG2      THR 107   3.666  -0.841  10.035
  879   2HG2  THR 107          1HG2      THR 107   4.348  -1.177  11.626
  880   3HG2  THR 107          3HG2      THR 107   5.041  -1.932  10.191
  881    H    LEU 108           H        LEU 108   3.935  -3.222   7.206
  882    HA   LEU 108           HA       LEU 108   5.490  -5.665   7.616
  883   1HB   LEU 108           HB2      LEU 108   4.338  -5.632   5.538
  884   2HB   LEU 108           HB3      LEU 108   4.855  -4.001   5.190
  885    HG   LEU 108           HG       LEU 108   7.137  -4.753   4.825
  886   1HD1  LEU 108          3HD1      LEU 108   6.087  -7.503   5.480
  887   2HD1  LEU 108          2HD1      LEU 108   7.691  -7.142   4.845
  888   3HD1  LEU 108          1HD1      LEU 108   7.224  -6.561   6.444
  889   1HD2  LEU 108          2HD2      LEU 108   5.587  -4.793   2.941
  890   2HD2  LEU 108          1HD2      LEU 108   6.781  -6.085   2.815
  891   3HD2  LEU 108          3HD2      LEU 108   5.138  -6.451   3.339
  892    H    HIS 109           H        HIS 109   7.155  -5.022   8.949
  893    HA   HIS 109           HA       HIS 109   8.605  -2.602   8.446
  894   1HB   HIS 109           HB2      HIS 109   9.152  -4.855  10.321
  895   2HB   HIS 109           HB3      HIS 109  10.103  -3.386  10.255
  896    HD1  HIS 109           HD1      HIS 109   9.373  -1.605  11.805
  897    HD2  HIS 109           HD2      HIS 109   6.290  -4.251  10.924
  898    HE1  HIS 109           HE1      HIS 109   7.427  -0.863  13.215
  899    HE2  HIS 109           HE2      HIS 109   5.600  -2.527  12.727
  900    H    LEU 110           H        LEU 110  10.590  -2.335   7.603
  901    HA   LEU 110           HA       LEU 110  12.015  -4.632   6.529
  902   1HB   LEU 110           HB2      LEU 110  10.960  -2.339   4.887
  903   2HB   LEU 110           HB3      LEU 110  12.238  -3.394   4.333
  904    HG   LEU 110           HG       LEU 110   9.415  -4.242   4.992
  905   1HD1  LEU 110          3HD1      LEU 110  10.856  -3.898   2.367
  906   2HD1  LEU 110          2HD1      LEU 110   9.278  -4.666   2.557
  907   3HD1  LEU 110          1HD1      LEU 110   9.483  -2.961   2.957
  908   1HD2  LEU 110          2HD2      LEU 110  11.121  -5.976   5.467
  909   2HD2  LEU 110          1HD2      LEU 110  10.022  -6.415   4.160
  910   3HD2  LEU 110          3HD2      LEU 110  11.655  -5.861   3.790
  911    H    ASN 111           H        ASN 111  13.446  -3.908   8.294
  912    HA   ASN 111           HA       ASN 111  14.715  -1.429   8.383
  913   1HB   ASN 111           HB2      ASN 111  14.937  -3.029  10.202
  914   2HB   ASN 111           HB3      ASN 111  15.789  -4.155   9.149
  915   1HD2  ASN 111          1HD2      ASN 111  17.610  -4.214  10.420
  916   2HD2  ASN 111          2HD2      ASN 111  18.703  -2.883  10.551
  917    H    VAL 112           H        VAL 112  15.171  -0.734   6.319
  918    HA   VAL 112           HA       VAL 112  16.486  -2.149   4.313
  919    HB   VAL 112           HB       VAL 112  16.751   0.827   4.701
  920   1HG1  VAL 112          1HG1      VAL 112  17.947  -0.454   2.835
  921   2HG1  VAL 112          3HG1      VAL 112  16.341  -0.673   2.138
  922   3HG1  VAL 112          2HG1      VAL 112  16.983   0.950   2.378
  923   1HG2  VAL 112          2HG2      VAL 112  14.379  -0.735   3.695
  924   2HG2  VAL 112          1HG2      VAL 112  14.437   0.354   5.081
  925   3HG2  VAL 112          3HG2      VAL 112  14.600   0.998   3.448
  926    H    LYS 113           H        LYS 113  18.559  -2.607   3.874
  927    HA   LYS 113           HA       LYS 113  20.553  -2.142   5.885
  928   1HB   LYS 113           HB2      LYS 113  20.626  -3.504   3.193
  929   2HB   LYS 113           HB3      LYS 113  22.028  -3.383   4.248
  930   1HG   LYS 113           HG2      LYS 113  19.431  -4.649   5.081
  931   2HG   LYS 113           HG3      LYS 113  20.775  -5.544   4.372
  932   1HD   LYS 113           HD2      LYS 113  22.225  -4.835   6.203
  933   2HD   LYS 113           HD3      LYS 113  20.897  -3.908   6.904
  934   1HE   LYS 113           HE2      LYS 113  19.613  -5.962   7.204
  935   2HE   LYS 113           HE3      LYS 113  20.928  -6.894   6.489
  936   1HZ   LYS 113           HZ3      LYS 113  22.360  -6.200   8.308
  937   2HZ   LYS 113           HZ2      LYS 113  21.096  -5.308   8.994
  938   3HZ   LYS 113           HZ1      LYS 113  20.986  -6.993   8.899

  No H/Q in entry =         938
  Start of MODEL    8
    1    H1   GLY  -2           HT3      GLY  -2   6.058 -20.751  18.634
    2    H2   GLY  -2           HT2      GLY  -2   6.518 -21.136  20.215
    3    H3   GLY  -2           HT1      GLY  -2   5.272 -21.999  19.462
    4   1HA   GLY  -2           HA2      GLY  -2   5.195 -19.124  20.200
    5   2HA   GLY  -2           HA3      GLY  -2   4.380 -20.421  21.060
    6    H    SER  -1           H        SER  -1   2.310 -20.692  20.585
    7    HA   SER  -1           HA       SER  -1   1.245 -19.455  18.164
    8   1HB   SER  -1           HB2      SER  -1  -0.075 -21.469  17.609
    9   2HB   SER  -1           HB3      SER  -1   1.659 -21.779  17.514
   10    HG   SER  -1           HG       SER  -1  -0.214 -22.677  19.393
   11    H    HIS   0           H        HIS   0  -0.549 -18.349  18.594
   12    HA   HIS   0           HA       HIS   0  -1.773 -18.621  21.217
   13   1HB   HIS   0           HB2      HIS   0  -2.283 -16.623  19.001
   14   2HB   HIS   0           HB3      HIS   0  -2.986 -16.557  20.613
   15    HD1  HIS   0           HD1      HIS   0   0.030 -15.666  18.702
   16    HD2  HIS   0           HD2      HIS   0  -1.099 -15.949  22.692
   17    HE1  HIS   0           HE1      HIS   0   1.799 -14.427  19.992
   18    HE2  HIS   0           HE2      HIS   0   1.048 -14.537  22.394
   19    H    MET   1           H        MET   1  -3.126 -18.176  17.945
   20    HA   MET   1           HA       MET   1  -5.081 -20.284  18.533
   21   1HB   MET   1           HB2      MET   1  -5.738 -17.565  17.387
   22   2HB   MET   1           HB3      MET   1  -6.867 -18.907  17.511
   23   1HG   MET   1           HG2      MET   1  -6.654 -18.862  19.943
   24   2HG   MET   1           HG3      MET   1  -5.525 -17.515  19.819
   25   1HE   MET   1           HE1      MET   1  -8.148 -17.464  21.639
   26   2HE   MET   1           HE3      MET   1  -7.020 -16.114  21.519
   27   3HE   MET   1           HE2      MET   1  -8.749 -15.840  21.300
   28    H    ILE   2           H        ILE   2  -6.132 -21.154  16.607
   29    HA   ILE   2           HA       ILE   2  -4.245 -21.313  14.401
   30    HB   ILE   2           HB       ILE   2  -5.168 -23.395  15.287
   31   1HG1  ILE   2          2HG1      ILE   2  -5.988 -24.365  13.138
   32   2HG1  ILE   2          3HG1      ILE   2  -6.098 -22.735  12.483
   33   1HG2  ILE   2          1HG2      ILE   2  -7.324 -22.574  16.043
   34   2HG2  ILE   2          3HG2      ILE   2  -7.834 -22.324  14.373
   35   3HG2  ILE   2          2HG2      ILE   2  -7.534 -23.956  14.969
   36   1HD1  ILE   2          1HD1      ILE   2  -3.581 -24.086  13.426
   37   2HD1  ILE   2          3HD1      ILE   2  -4.073 -23.852  11.749
   38   3HD1  ILE   2          2HD1      ILE   2  -3.693 -22.457  12.761
   39    H    ALA   3           H        ALA   3  -7.425 -20.046  15.094
   40    HA   ALA   3           HA       ALA   3  -7.886 -19.406  12.284
   41   1HB   ALA   3           HB2      ALA   3  -9.742 -20.350  13.567
   42   2HB   ALA   3           HB1      ALA   3  -9.669 -18.984  14.679
   43   3HB   ALA   3           HB3      ALA   3 -10.115 -18.724  12.993
   44    HA   PRO   4           HA       PRO   4  -6.353 -15.275  13.058
   45   1HB   PRO   4           HB2      PRO   4  -6.632 -14.292  10.584
   46   2HB   PRO   4           HB3      PRO   4  -5.413 -15.518  10.954
   47   1HG   PRO   4           HG2      PRO   4  -8.096 -15.837   9.666
   48   2HG   PRO   4           HG3      PRO   4  -6.552 -16.593   9.235
   49   1HD   PRO   4           HD2      PRO   4  -8.520 -17.823  10.713
   50   2HD   PRO   4           HD3      PRO   4  -6.801 -18.255  10.785
   51    H    LEU   5           H        LEU   5  -9.349 -16.095  13.275
   52    HA   LEU   5           HA       LEU   5 -10.846 -13.880  12.319
   53   1HB   LEU   5           HB2      LEU   5 -11.867 -16.052  12.804
   54   2HB   LEU   5           HB3      LEU   5 -11.485 -15.862  14.504
   55    HG   LEU   5           HG       LEU   5 -12.991 -13.882  14.578
   56   1HD1  LEU   5          3HD1      LEU   5 -13.704 -14.738  11.777
   57   2HD1  LEU   5          2HD1      LEU   5 -14.548 -13.517  12.730
   58   3HD1  LEU   5          1HD1      LEU   5 -12.879 -13.248  12.231
   59   1HD2  LEU   5          2HD2      LEU   5 -13.786 -16.076  15.273
   60   2HD2  LEU   5          1HD2      LEU   5 -15.075 -15.157  14.495
   61   3HD2  LEU   5          3HD2      LEU   5 -14.251 -16.444  13.612
   62    H    SER   6           H        SER   6  -9.987 -14.791  15.664
   63    HA   SER   6           HA       SER   6 -10.766 -12.331  16.794
   64   1HB   SER   6           HB2      SER   6  -8.798 -14.383  17.838
   65   2HB   SER   6           HB3      SER   6  -9.514 -13.081  18.788
   66    HG   SER   6           HG       SER   6 -11.135 -14.360  19.103
   67    H    VAL   7           H        VAL   7  -7.422 -13.552  16.671
   68    HA   VAL   7           HA       VAL   7  -6.434 -10.819  16.645
   69    HB   VAL   7           HB       VAL   7  -4.202 -11.830  16.875
   70   1HG1  VAL   7          1HG1      VAL   7  -5.503 -11.354  18.877
   71   2HG1  VAL   7          3HG1      VAL   7  -6.253 -12.948  18.785
   72   3HG1  VAL   7          2HG1      VAL   7  -4.524 -12.803  19.103
   73   1HG2  VAL   7          2HG2      VAL   7  -5.683 -14.457  16.780
   74   2HG2  VAL   7          1HG2      VAL   7  -4.556 -13.850  15.567
   75   3HG2  VAL   7          3HG2      VAL   7  -3.978 -14.254  17.185
   76    H    LYS   8           H        LYS   8  -4.204 -10.783  15.229
   77    HA   LYS   8           HA       LYS   8  -4.310 -12.009  12.685
   78   1HB   LYS   8           HB2      LYS   8  -6.213 -10.469  12.392
   79   2HB   LYS   8           HB3      LYS   8  -5.168  -9.110  12.780
   80   1HG   LYS   8           HG2      LYS   8  -5.463  -9.238  10.403
   81   2HG   LYS   8           HG3      LYS   8  -3.793  -9.644  10.803
   82   1HD   LYS   8           HD2      LYS   8  -4.326 -12.025  10.605
   83   2HD   LYS   8           HD3      LYS   8  -5.995 -11.618  10.202
   84   1HE   LYS   8           HE2      LYS   8  -3.549 -10.854   8.611
   85   2HE   LYS   8           HE3      LYS   8  -4.697 -12.128   8.197
   86   1HZ   LYS   8           HZ3      LYS   8  -5.330  -9.233   8.402
   87   2HZ   LYS   8           HZ2      LYS   8  -5.143 -10.104   6.963
   88   3HZ   LYS   8           HZ1      LYS   8  -6.430 -10.456   8.002
   89    H    ASP   9           H        ASP   9  -2.357 -11.917  11.790
   90    HA   ASP   9           HA       ASP   9  -0.249 -10.564  13.169
   91   1HB   ASP   9           HB2      ASP   9   0.050 -12.788  12.097
   92   2HB   ASP   9           HB3      ASP   9  -0.152 -12.026  10.522
   93    H    ASN  10           H        ASN  10   0.376  -8.534  12.860
   94    HA   ASN  10           HA       ASN  10  -0.063  -7.312  10.234
   95   1HB   ASN  10           HB2      ASN  10  -0.322  -5.149  11.679
   96   2HB   ASN  10           HB3      ASN  10  -1.692  -6.220  11.438
   97   1HD2  ASN  10          1HD2      ASN  10  -0.996  -4.281  13.555
   98   2HD2  ASN  10          2HD2      ASN  10  -1.096  -5.176  15.023
   99    H    ASP  11           H        ASP  11   1.238  -5.666  12.974
  100    HA   ASP  11           HA       ASP  11   3.387  -4.535  11.765
  101   1HB   ASP  11           HB2      ASP  11   4.346  -4.425  14.137
  102   2HB   ASP  11           HB3      ASP  11   2.778  -3.684  13.855
  103    H    LYS  12           H        LYS  12   4.632  -5.779  10.490
  104    HA   LYS  12           HA       LYS  12   6.056  -8.041  11.691
  105   1HB   LYS  12           HB2      LYS  12   5.050  -8.698   9.653
  106   2HB   LYS  12           HB3      LYS  12   5.535  -7.215   8.841
  107   1HG   LYS  12           HG2      LYS  12   7.839  -7.911   8.866
  108   2HG   LYS  12           HG3      LYS  12   7.422  -9.365   9.774
  109   1HD   LYS  12           HD2      LYS  12   6.124 -10.206   7.929
  110   2HD   LYS  12           HD3      LYS  12   6.358  -8.705   7.030
  111   1HE   LYS  12           HE2      LYS  12   7.866 -10.353   6.160
  112   2HE   LYS  12           HE3      LYS  12   8.801  -9.145   7.043
  113   1HZ   LYS  12           HZ1      LYS  12   8.887 -10.650   8.935
  114   2HZ   LYS  12           HZ3      LYS  12   8.004 -11.812   8.078
  115   3HZ   LYS  12           HZ2      LYS  12   9.552 -11.374   7.559
  116    H    TRP  13           H        TRP  13   7.714  -7.173  12.797
  117    HA   TRP  13           HA       TRP  13   9.307  -5.029  11.705
  118   1HB   TRP  13           HB2      TRP  13   9.841  -6.487  14.278
  119   2HB   TRP  13           HB3      TRP  13  10.190  -4.813  13.864
  120    HD1  TRP  13           HD1      TRP  13   7.120  -7.064  14.568
  121    HE1  TRP  13           HE1      TRP  13   5.239  -5.599  15.525
  122    HE3  TRP  13           HE3      TRP  13   9.408  -2.496  14.278
  123    HZ2  TRP  13           HZ2      TRP  13   4.761  -2.874  16.076
  124    HZ3  TRP  13           HZ3      TRP  13   8.173  -0.514  15.055
  125    HH2  TRP  13           HH2      TRP  13   5.905  -0.702  15.941
  126    H    VAL  14           H        VAL  14  10.694  -5.621  10.124
  127    HA   VAL  14           HA       VAL  14  12.703  -7.647  10.818
  128    HB   VAL  14           HB       VAL  14  12.522  -8.773   8.640
  129   1HG1  VAL  14          2HG1      VAL  14  11.427  -9.742  10.594
  130   2HG1  VAL  14          1HG1      VAL  14   9.963  -8.825  10.235
  131   3HG1  VAL  14          3HG1      VAL  14  10.514 -10.077   9.121
  132   1HG2  VAL  14          2HG2      VAL  14  11.461  -6.905   7.426
  133   2HG2  VAL  14          1HG2      VAL  14  10.615  -8.436   7.199
  134   3HG2  VAL  14          3HG2      VAL  14   9.960  -7.221   8.297
  135    H    ASP  15           H        ASP  15  14.075  -7.880   8.567
  136    HA   ASP  15           HA       ASP  15  15.036  -5.150   8.046
  137   1HB   ASP  15           HB2      ASP  15  16.336  -7.808   8.345
  138   2HB   ASP  15           HB3      ASP  15  17.085  -6.661   7.235
  139    H    THR  16           H        THR  16  16.462  -5.351   5.798
  140    HA   THR  16           HA       THR  16  15.366  -6.913   3.722
  141    HB   THR  16           HB       THR  16  13.450  -5.270   4.322
  142    HG1  THR  16           HG1      THR  16  14.158  -5.197   1.592
  143   1HG2  THR  16          3HG2      THR  16  14.875  -3.250   4.342
  144   2HG2  THR  16          2HG2      THR  16  15.153  -3.462   2.614
  145   3HG2  THR  16          1HG2      THR  16  13.528  -3.125   3.210
  146    H    HIS  17           H        HIS  17  15.721  -5.629   1.492
  147    HA   HIS  17           HA       HIS  17  18.415  -4.443   1.636
  148   1HB   HIS  17           HB2      HIS  17  17.167  -6.138  -0.538
  149   2HB   HIS  17           HB3      HIS  17  18.722  -5.331  -0.684
  150    HD1  HIS  17           HD1      HIS  17  17.055  -8.248   0.931
  151    HD2  HIS  17           HD2      HIS  17  20.822  -6.504   0.769
  152    HE1  HIS  17           HE1      HIS  17  18.624  -9.946   1.920
  153    HE2  HIS  17           HE2      HIS  17  20.885  -8.833   1.891
  154    H    VAL  18           H        VAL  18  18.601  -3.490  -0.966
  155    HA   VAL  18           HA       VAL  18  16.875  -1.172  -0.770
  156    HB   VAL  18           HB       VAL  18  18.988  -1.746  -2.848
  157   1HG1  VAL  18          3HG1      VAL  18  17.613   0.810  -2.014
  158   2HG1  VAL  18          2HG1      VAL  18  18.966   0.707  -3.139
  159   3HG1  VAL  18          1HG1      VAL  18  17.421  -0.038  -3.548
  160   1HG2  VAL  18          2HG2      VAL  18  19.950  -1.778  -0.606
  161   2HG2  VAL  18          1HG2      VAL  18  20.463  -0.343  -1.492
  162   3HG2  VAL  18          3HG2      VAL  18  19.210  -0.216  -0.257
  163    H    GLY  19           H        GLY  19  15.121  -0.777  -1.898
  164   1HA   GLY  19           HA3      GLY  19  14.634  -1.515  -4.563
  165   2HA   GLY  19           HA2      GLY  19  13.430  -0.953  -3.420
  166    H    LYS  20           H        LYS  20  14.238  -3.355  -1.660
  167    HA   LYS  20           HA       LYS  20  13.614  -5.718  -3.008
  168   1HB   LYS  20           HB2      LYS  20  14.404  -5.200  -0.522
  169   2HB   LYS  20           HB3      LYS  20  12.689  -5.364  -0.197
  170   1HG   LYS  20           HG2      LYS  20  13.195  -7.524   0.068
  171   2HG   LYS  20           HG3      LYS  20  13.121  -7.565  -1.697
  172   1HD   LYS  20           HD2      LYS  20  15.477  -7.300  -1.879
  173   2HD   LYS  20           HD3      LYS  20  15.617  -6.941  -0.159
  174   1HE   LYS  20           HE2      LYS  20  16.352  -9.223  -0.652
  175   2HE   LYS  20           HE3      LYS  20  14.926  -9.218   0.385
  176   1HZ   LYS  20           HZ1      LYS  20  14.926  -9.677  -2.550
  177   2HZ   LYS  20           HZ3      LYS  20  14.740 -10.870  -1.364
  178   3HZ   LYS  20           HZ2      LYS  20  13.559  -9.674  -1.556
  179    H    THR  21           H        THR  21  11.913  -5.177  -4.453
  180    HA   THR  21           HA       THR  21   9.462  -4.063  -3.771
  181    HB   THR  21           HB       THR  21   9.707  -6.208  -5.867
  182    HG1  THR  21           HG1      THR  21  11.227  -4.038  -5.693
  183   1HG2  THR  21          2HG2      THR  21   8.097  -3.655  -5.687
  184   2HG2  THR  21          1HG2      THR  21   8.082  -4.783  -7.044
  185   3HG2  THR  21          3HG2      THR  21   7.480  -5.292  -5.467
  186    H    THR  22           H        THR  22   8.607  -4.837  -1.887
  187    HA   THR  22           HA       THR  22   8.017  -7.691  -1.682
  188    HB   THR  22           HB       THR  22   7.723  -5.444   0.323
  189    HG1  THR  22           HG1      THR  22   9.462  -7.701   0.237
  190   1HG2  THR  22          3HG2      THR  22   5.960  -7.113   0.665
  191   2HG2  THR  22          2HG2      THR  22   7.175  -8.392   0.692
  192   3HG2  THR  22          1HG2      THR  22   7.154  -7.169   1.963
  193    H    GLU  23           H        GLU  23   6.322  -8.181  -2.900
  194    HA   GLU  23           HA       GLU  23   4.012  -6.491  -3.106
  195   1HB   GLU  23           HB2      GLU  23   4.917  -7.879  -4.977
  196   2HB   GLU  23           HB3      GLU  23   4.428  -9.314  -4.087
  197   1HG   GLU  23           HG2      GLU  23   2.133  -8.756  -4.270
  198   2HG   GLU  23           HG3      GLU  23   2.519  -7.142  -4.872
  199    H    ILE  24           H        ILE  24   2.150  -6.674  -2.015
  200    HA   ILE  24           HA       ILE  24   1.732  -9.068  -0.369
  201    HB   ILE  24           HB       ILE  24   1.276  -6.261   0.599
  202   1HG1  ILE  24          2HG1      ILE  24   3.456  -8.227   1.310
  203   2HG1  ILE  24          3HG1      ILE  24   3.670  -6.740   0.394
  204   1HG2  ILE  24          3HG2      ILE  24  -0.256  -7.927   1.533
  205   2HG2  ILE  24          2HG2      ILE  24   1.121  -8.905   2.042
  206   3HG2  ILE  24          1HG2      ILE  24   0.856  -7.316   2.759
  207   1HD1  ILE  24          1HD1      ILE  24   2.886  -5.487   2.402
  208   2HD1  ILE  24          3HD1      ILE  24   2.931  -7.011   3.290
  209   3HD1  ILE  24          2HD1      ILE  24   4.413  -6.345   2.605
  210    H    HIS  25           H        HIS  25   0.039  -9.900  -1.452
  211    HA   HIS  25           HA       HIS  25  -2.194  -8.250  -2.252
  212   1HB   HIS  25           HB2      HIS  25  -2.194 -11.255  -2.233
  213   2HB   HIS  25           HB3      HIS  25  -3.059 -10.163  -3.300
  214    HD1  HIS  25           HD1      HIS  25  -0.318 -12.386  -3.364
  215    HD2  HIS  25           HD2      HIS  25  -1.030  -8.617  -4.962
  216    HE1  HIS  25           HE1      HIS  25   1.334 -12.128  -5.242
  217    HE2  HIS  25           HE2      HIS  25   0.796  -9.894  -6.273
  218    H    LEU  26           H        LEU  26  -3.491  -7.560  -0.683
  219    HA   LEU  26           HA       LEU  26  -4.006  -9.293   1.627
  220   1HB   LEU  26           HB2      LEU  26  -4.666  -6.379   1.264
  221   2HB   LEU  26           HB3      LEU  26  -4.807  -7.296   2.747
  222    HG   LEU  26           HG       LEU  26  -2.153  -6.903   1.386
  223   1HD1  LEU  26          2HD1      LEU  26  -3.092  -4.692   1.786
  224   2HD1  LEU  26          1HD1      LEU  26  -3.425  -5.126   3.463
  225   3HD1  LEU  26          3HD1      LEU  26  -1.759  -5.019   2.893
  226   1HD2  LEU  26          3HD2      LEU  26  -2.453  -8.668   3.142
  227   2HD2  LEU  26          2HD2      LEU  26  -1.233  -7.450   3.512
  228   3HD2  LEU  26          1HD2      LEU  26  -2.818  -7.375   4.286
  229    H    LYS  27           H        LYS  27  -6.093  -9.818   2.238
  230    HA   LYS  27           HA       LYS  27  -8.037  -9.656   0.074
  231   1HB   LYS  27           HB2      LYS  27  -8.338 -11.165   2.663
  232   2HB   LYS  27           HB3      LYS  27  -9.236 -11.399   1.172
  233   1HG   LYS  27           HG2      LYS  27  -7.106 -12.101   0.079
  234   2HG   LYS  27           HG3      LYS  27  -6.341 -12.042   1.669
  235   1HD   LYS  27           HD2      LYS  27  -7.930 -13.702   2.504
  236   2HD   LYS  27           HD3      LYS  27  -8.703 -13.763   0.918
  237   1HE   LYS  27           HE2      LYS  27  -6.607 -14.553  -0.068
  238   2HE   LYS  27           HE3      LYS  27  -5.840 -14.498   1.519
  239   1HZ   LYS  27           HZ2      LYS  27  -7.411 -16.160   2.297
  240   2HZ   LYS  27           HZ1      LYS  27  -8.147 -16.214   0.775
  241   3HZ   LYS  27           HZ3      LYS  27  -6.548 -16.735   0.960
  242    H    GLY  28           H        GLY  28 -10.333  -9.275   0.679
  243   1HA   GLY  28           HA3      GLY  28 -10.527  -6.737   1.966
  244   2HA   GLY  28           HA2      GLY  28 -11.214  -8.010   2.958
  245    H    ASN  29           H        ASN  29 -12.327  -5.651   1.390
  246    HA   ASN  29           HA       ASN  29 -13.881  -6.605  -0.750
  247   1HB   ASN  29           HB2      ASN  29 -14.913  -7.933   1.124
  248   2HB   ASN  29           HB3      ASN  29 -15.423  -6.409   1.843
  249   1HD2  ASN  29          1HD2      ASN  29 -17.592  -6.914   1.670
  250   2HD2  ASN  29          2HD2      ASN  29 -18.422  -6.926   0.156
  251    HA   PRO  30           HA       PRO  30 -13.432  -2.018  -0.412
  252   1HB   PRO  30           HB2      PRO  30 -14.157  -2.446  -3.273
  253   2HB   PRO  30           HB3      PRO  30 -12.925  -1.393  -2.571
  254   1HG   PRO  30           HG2      PRO  30 -12.233  -3.674  -3.737
  255   2HG   PRO  30           HG3      PRO  30 -11.434  -3.150  -2.243
  256   1HD   PRO  30           HD2      PRO  30 -13.521  -5.245  -2.647
  257   2HD   PRO  30           HD3      PRO  30 -12.134  -5.233  -1.541
  258    H    THR  31           H        THR  31 -16.028  -4.092  -1.370
  259    HA   THR  31           HA       THR  31 -17.930  -1.960  -1.776
  260    HB   THR  31           HB       THR  31 -19.597  -3.726  -2.014
  261    HG1  THR  31           HG1      THR  31 -18.505  -5.964  -1.967
  262   1HG2  THR  31          3HG2      THR  31 -18.218  -3.177  -3.955
  263   2HG2  THR  31          2HG2      THR  31 -17.022  -4.372  -3.453
  264   3HG2  THR  31          1HG2      THR  31 -18.634  -4.890  -3.947
  265    H    THR  32           H        THR  32 -16.462  -2.734   0.912
  266    HA   THR  32           HA       THR  32 -18.847  -2.898   2.612
  267    HB   THR  32           HB       THR  32 -17.272  -3.323   4.473
  268    HG1  THR  32           HG1      THR  32 -15.091  -3.523   4.060
  269   1HG2  THR  32          1HG2      THR  32 -16.901  -5.133   2.085
  270   2HG2  THR  32          3HG2      THR  32 -16.574  -5.567   3.762
  271   3HG2  THR  32          2HG2      THR  32 -18.223  -5.208   3.249
  272    H    GLY  33           H        GLY  33 -15.720  -1.167   2.722
  273   1HA   GLY  33           HA3      GLY  33 -16.852   0.922   4.347
  274   2HA   GLY  33           HA2      GLY  33 -16.579   1.416   2.683
  275    H    TYR  34           H        TYR  34 -14.647  -0.696   4.795
  276    HA   TYR  34           HA       TYR  34 -12.645   1.284   5.251
  277   1HB   TYR  34           HB2      TYR  34 -12.606  -1.707   5.672
  278   2HB   TYR  34           HB3      TYR  34 -11.326  -0.617   6.194
  279    HD1  TYR  34           HD1      TYR  34 -14.841  -1.587   6.724
  280    HD2  TYR  34           HD2      TYR  34 -11.564   0.717   8.182
  281    HE1  TYR  34           HE1      TYR  34 -16.046  -1.215   8.834
  282    HE2  TYR  34           HE2      TYR  34 -12.767   1.090  10.292
  283    HH   TYR  34           HH       TYR  34 -15.535  -0.657  11.173
  284    H    MET  35           H        MET  35 -10.256   0.475   4.817
  285    HA   MET  35           HA       MET  35  -9.884  -0.605   2.162
  286   1HB   MET  35           HB2      MET  35 -10.005   1.551   1.371
  287   2HB   MET  35           HB3      MET  35  -9.543   2.250   2.918
  288   1HG   MET  35           HG2      MET  35  -7.225   1.485   2.517
  289   2HG   MET  35           HG3      MET  35  -7.730   0.943   0.933
  290   1HE   MET  35           HE3      MET  35  -9.768   3.156   0.017
  291   2HE   MET  35           HE2      MET  35  -8.723   4.295  -0.831
  292   3HE   MET  35           HE1      MET  35  -8.493   2.560  -1.045
  293    H    TRP  36           H        TRP  36  -7.725  -1.229   1.787
  294    HA   TRP  36           HA       TRP  36  -6.074  -1.318   4.219
  295   1HB   TRP  36           HB2      TRP  36  -6.733  -3.307   2.183
  296   2HB   TRP  36           HB3      TRP  36  -5.012  -3.177   2.502
  297    HD1  TRP  36           HD1      TRP  36  -7.786  -5.163   3.570
  298    HE1  TRP  36           HE1      TRP  36  -7.466  -6.106   5.943
  299    HE3  TRP  36           HE3      TRP  36  -3.963  -2.155   5.120
  300    HZ2  TRP  36           HZ2      TRP  36  -5.807  -5.633   8.179
  301    HZ3  TRP  36           HZ3      TRP  36  -3.063  -2.463   7.385
  302    HH2  TRP  36           HH2      TRP  36  -3.970  -4.165   8.883
  303    H    THR  37           H        THR  37  -5.041   0.654   3.881
  304    HA   THR  37           HA       THR  37  -3.074   0.609   1.697
  305    HB   THR  37           HB       THR  37  -5.062   2.082   1.128
  306    HG1  THR  37           HG1      THR  37  -3.610   3.809   0.445
  307   1HG2  THR  37          1HG2      THR  37  -3.850   3.795   3.305
  308   2HG2  THR  37          3HG2      THR  37  -5.113   4.299   2.182
  309   3HG2  THR  37          2HG2      THR  37  -5.434   3.021   3.353
  310    H    ARG  38           H        ARG  38  -1.761   2.996   2.222
  311    HA   ARG  38           HA       ARG  38  -0.407   2.336   4.684
  312   1HB   ARG  38           HB2      ARG  38   0.143   4.086   2.354
  313   2HB   ARG  38           HB3      ARG  38   0.846   4.582   3.882
  314   1HG   ARG  38           HG2      ARG  38   2.087   2.607   4.081
  315   2HG   ARG  38           HG3      ARG  38   1.177   1.820   2.790
  316   1HD   ARG  38           HD2      ARG  38   3.517   2.731   2.277
  317   2HD   ARG  38           HD3      ARG  38   2.245   3.027   1.125
  318    HE   ARG  38           HE       ARG  38   2.178   5.299   1.922
  319   1HH1  ARG  38          1HH1      ARG  38   4.836   3.369   3.081
  320   2HH1  ARG  38          2HH1      ARG  38   5.848   4.732   3.423
  321   1HH2  ARG  38          1HH2      ARG  38   3.516   7.103   2.358
  322   2HH2  ARG  38          2HH2      ARG  38   5.099   6.850   3.015
  323    H    VAL  39           H        VAL  39  -0.328   3.505   6.550
  324    HA   VAL  39           HA       VAL  39  -2.553   4.929   7.384
  325    HB   VAL  39           HB       VAL  39   0.206   5.262   8.558
  326   1HG1  VAL  39          2HG1      VAL  39  -2.545   5.443   9.780
  327   2HG1  VAL  39          1HG1      VAL  39  -1.021   5.593  10.655
  328   3HG1  VAL  39          3HG1      VAL  39  -1.463   6.793   9.440
  329   1HG2  VAL  39          1HG2      VAL  39  -1.762   3.012   8.833
  330   2HG2  VAL  39          3HG2      VAL  39  -0.046   2.936   8.429
  331   3HG2  VAL  39          2HG2      VAL  39  -0.549   3.353  10.067
  332    H    GLY  40           H        GLY  40  -3.039   7.089   7.670
  333   1HA   GLY  40           HA3      GLY  40  -1.245   9.220   7.151
  334   2HA   GLY  40           HA2      GLY  40  -2.994   9.352   7.266
  335    H    PHE  41           H        PHE  41  -2.406   7.037   5.041
  336    HA   PHE  41           HA       PHE  41  -2.603   8.945   2.815
  337   1HB   PHE  41           HB2      PHE  41  -1.030   6.379   2.824
  338   2HB   PHE  41           HB3      PHE  41  -1.226   7.451   1.452
  339    HD1  PHE  41           HD1      PHE  41  -0.867  10.066   2.492
  340    HD2  PHE  41           HD2      PHE  41   1.166   6.484   3.549
  341    HE1  PHE  41           HE1      PHE  41   1.080  11.393   3.216
  342    HE2  PHE  41           HE2      PHE  41   3.115   7.799   4.281
  343    HZ   PHE  41           HZ       PHE  41   3.073  10.256   4.115
  344    H    VAL  42           H        VAL  42  -4.825   8.167   3.868
  345    HA   VAL  42           HA       VAL  42  -5.828   5.916   2.265
  346    HB   VAL  42           HB       VAL  42  -7.167   7.262   4.617
  347   1HG1  VAL  42          1HG1      VAL  42  -8.565   6.018   2.903
  348   2HG1  VAL  42          3HG1      VAL  42  -7.746   4.555   3.448
  349   3HG1  VAL  42          2HG1      VAL  42  -8.722   5.495   4.578
  350   1HG2  VAL  42          1HG2      VAL  42  -4.918   6.034   4.989
  351   2HG2  VAL  42          3HG2      VAL  42  -6.282   5.662   6.038
  352   3HG2  VAL  42          2HG2      VAL  42  -5.865   4.571   4.720
  353    H    GLY  43           H        GLY  43  -6.996   6.397   0.508
  354   1HA   GLY  43           HA3      GLY  43  -8.795   8.653   0.447
  355   2HA   GLY  43           HA2      GLY  43  -8.475   7.535  -0.877
  356    H    LYS  44           H        LYS  44  -5.567   8.299   0.153
  357    HA   LYS  44           HA       LYS  44  -5.050  10.927  -0.738
  358   1HB   LYS  44           HB2      LYS  44  -2.667  10.111  -0.664
  359   2HB   LYS  44           HB3      LYS  44  -3.562   9.848   0.825
  360   1HG   LYS  44           HG2      LYS  44  -2.513   7.851   0.580
  361   2HG   LYS  44           HG3      LYS  44  -4.057   7.516  -0.191
  362   1HD   LYS  44           HD2      LYS  44  -2.149   8.600  -2.058
  363   2HD   LYS  44           HD3      LYS  44  -1.519   7.164  -1.258
  364   1HE   LYS  44           HE2      LYS  44  -4.147   7.384  -2.725
  365   2HE   LYS  44           HE3      LYS  44  -2.698   6.568  -3.308
  366   1HZ   LYS  44           HZ2      LYS  44  -4.109   5.792  -0.820
  367   2HZ   LYS  44           HZ1      LYS  44  -4.423   5.087  -2.325
  368   3HZ   LYS  44           HZ3      LYS  44  -2.891   4.939  -1.624
  369    H    ASP  45           H        ASP  45  -2.814  10.671  -2.336
  370    HA   ASP  45           HA       ASP  45  -3.935   9.747  -4.883
  371   1HB   ASP  45           HB2      ASP  45  -2.002  11.927  -4.142
  372   2HB   ASP  45           HB3      ASP  45  -2.055  11.288  -5.776
  373    H    VAL  46           H        VAL  46  -0.940   9.930  -3.005
  374    HA   VAL  46           HA       VAL  46  -0.107   7.333  -4.043
  375    HB   VAL  46           HB       VAL  46   0.892   9.321  -5.372
  376   1HG1  VAL  46          3HG1      VAL  46   1.546  10.668  -3.445
  377   2HG1  VAL  46          2HG1      VAL  46   2.661   9.400  -2.936
  378   3HG1  VAL  46          1HG1      VAL  46   2.938  10.261  -4.451
  379   1HG2  VAL  46          2HG2      VAL  46   2.648   7.164  -4.206
  380   2HG2  VAL  46          1HG2      VAL  46   1.615   7.019  -5.629
  381   3HG2  VAL  46          3HG2      VAL  46   3.009   8.100  -5.657
  382    H    LEU  47           H        LEU  47   0.613   6.085  -2.507
  383    HA   LEU  47           HA       LEU  47   0.743   6.940   0.196
  384   1HB   LEU  47           HB2      LEU  47   1.857   4.388  -0.957
  385   2HB   LEU  47           HB3      LEU  47   1.328   4.669   0.687
  386    HG   LEU  47           HG       LEU  47  -0.469   4.598  -1.740
  387   1HD1  LEU  47          3HD1      LEU  47   0.488   2.406  -1.099
  388   2HD1  LEU  47          2HD1      LEU  47  -0.190   2.613   0.516
  389   3HD1  LEU  47          1HD1      LEU  47  -1.262   2.489  -0.880
  390   1HD2  LEU  47          3HD2      LEU  47  -1.230   6.106   0.081
  391   2HD2  LEU  47          2HD2      LEU  47  -2.299   4.727  -0.176
  392   3HD2  LEU  47          1HD2      LEU  47  -1.184   4.736   1.189
  393    H    SER  48           H        SER  48   3.209   5.453  -1.828
  394    HA   SER  48           HA       SER  48   5.467   5.901  -0.378
  395   1HB   SER  48           HB2      SER  48   5.403   4.633  -2.488
  396   2HB   SER  48           HB3      SER  48   5.223   6.139  -3.382
  397    HG   SER  48           HG       SER  48   7.366   6.034  -1.642
  398    H    ASP  49           H        ASP  49   7.331   7.398  -1.118
  399    HA   ASP  49           HA       ASP  49   6.565  10.068  -1.886
  400   1HB   ASP  49           HB2      ASP  49   7.408   9.443   0.939
  401   2HB   ASP  49           HB3      ASP  49   7.605  11.046   0.235
  402    H    GLU  50           H        GLU  50   9.223   9.144   0.222
  403    HA   GLU  50           HA       GLU  50  11.090   9.298  -2.032
  404   1HB   GLU  50           HB2      GLU  50  12.552  10.768  -0.791
  405   2HB   GLU  50           HB3      GLU  50  10.952  11.491  -0.897
  406   1HG   GLU  50           HG2      GLU  50  10.452  10.791   1.367
  407   2HG   GLU  50           HG3      GLU  50  12.033  10.019   1.490
  408    H    ILE  51           H        ILE  51  10.357   8.224   1.214
  409    HA   ILE  51           HA       ILE  51  12.806   6.824   1.649
  410    HB   ILE  51           HB       ILE  51  10.162   6.347   3.013
  411   1HG1  ILE  51          2HG1      ILE  51  10.800   8.749   3.021
  412   2HG1  ILE  51          3HG1      ILE  51  10.790   8.029   4.624
  413   1HG2  ILE  51          3HG2      ILE  51  13.012   5.851   3.854
  414   2HG2  ILE  51          2HG2      ILE  51  11.609   5.672   4.908
  415   3HG2  ILE  51          1HG2      ILE  51  11.785   4.639   3.490
  416   1HD1  ILE  51          1HD1      ILE  51  13.248   8.491   2.952
  417   2HD1  ILE  51          3HD1      ILE  51  12.697   9.527   4.269
  418   3HD1  ILE  51          2HD1      ILE  51  13.201   7.870   4.603
  419    H    LEU  52           H        LEU  52   9.621   5.305   1.753
  420    HA   LEU  52           HA       LEU  52  10.727   3.002   0.320
  421   1HB   LEU  52           HB2      LEU  52   8.564   3.410   2.300
  422   2HB   LEU  52           HB3      LEU  52   8.292   2.163   1.099
  423    HG   LEU  52           HG       LEU  52  10.765   2.255   2.809
  424   1HD1  LEU  52          1HD1      LEU  52   8.188   0.778   3.320
  425   2HD1  LEU  52          3HD1      LEU  52   9.689   0.563   4.219
  426   3HD1  LEU  52          2HD1      LEU  52   8.839   2.106   4.280
  427   1HD2  LEU  52          1HD2      LEU  52  10.700   0.931   0.654
  428   2HD2  LEU  52          3HD2      LEU  52  11.104   0.027   2.113
  429   3HD2  LEU  52          2HD2      LEU  52   9.483  -0.085   1.425
  430    H    GLU  53           H        GLU  53  10.379   2.924  -1.823
  431    HA   GLU  53           HA       GLU  53   8.342   4.390  -3.140
  432   1HB   GLU  53           HB2      GLU  53  10.487   2.557  -3.882
  433   2HB   GLU  53           HB3      GLU  53   9.057   2.361  -4.884
  434   1HG   GLU  53           HG2      GLU  53   9.969   5.119  -4.412
  435   2HG   GLU  53           HG3      GLU  53  11.008   4.098  -5.402
  436    H    VAL  54           H        VAL  54   6.627   3.584  -1.623
  437    HA   VAL  54           HA       VAL  54   5.716   0.893  -1.895
  438    HB   VAL  54           HB       VAL  54   4.118   3.196  -0.795
  439   1HG1  VAL  54          2HG1      VAL  54   2.880   1.146  -1.211
  440   2HG1  VAL  54          1HG1      VAL  54   4.060   0.226  -0.277
  441   3HG1  VAL  54          3HG1      VAL  54   3.047   1.428   0.520
  442   1HG2  VAL  54          3HG2      VAL  54   6.319   1.589   0.460
  443   2HG2  VAL  54          2HG2      VAL  54   6.101   3.339   0.436
  444   3HG2  VAL  54          1HG2      VAL  54   5.049   2.332   1.430
  445    H    VAL  55           H        VAL  55   5.473   0.707  -4.170
  446    HA   VAL  55           HA       VAL  55   3.414   2.255  -5.479
  447    HB   VAL  55           HB       VAL  55   4.785  -0.222  -6.503
  448   1HG1  VAL  55          3HG1      VAL  55   2.661   0.591  -7.590
  449   2HG1  VAL  55          2HG1      VAL  55   3.548   2.044  -8.048
  450   3HG1  VAL  55          1HG1      VAL  55   4.062   0.471  -8.657
  451   1HG2  VAL  55          2HG2      VAL  55   5.606   2.665  -6.837
  452   2HG2  VAL  55          1HG2      VAL  55   6.474   1.435  -5.919
  453   3HG2  VAL  55          3HG2      VAL  55   6.335   1.292  -7.671
  454    H    CYS  56           H        CYS  56   1.657   1.737  -4.154
  455    HA   CYS  56           HA       CYS  56   0.767  -1.050  -4.152
  456   1HB   CYS  56           HB2      CYS  56   0.751  -0.079  -1.969
  457   2HB   CYS  56           HB3      CYS  56  -0.107   1.344  -2.547
  458    HG   CYS  56           HG       CYS  56  -1.538  -1.750  -2.654
  459    H    LYS  57           H        LYS  57  -0.797  -1.726  -5.411
  460    HA   LYS  57           HA       LYS  57  -2.445   0.278  -6.789
  461   1HB   LYS  57           HB2      LYS  57  -2.127  -2.572  -7.665
  462   2HB   LYS  57           HB3      LYS  57  -2.643  -1.189  -8.615
  463   1HG   LYS  57           HG2      LYS  57  -0.384  -0.277  -8.539
  464   2HG   LYS  57           HG3      LYS  57   0.143  -1.655  -7.569
  465   1HD   LYS  57           HD2      LYS  57  -0.453  -3.168  -9.406
  466   2HD   LYS  57           HD3      LYS  57  -0.954  -1.782 -10.377
  467   1HE   LYS  57           HE2      LYS  57   1.824  -2.294  -9.320
  468   2HE   LYS  57           HE3      LYS  57   1.291  -2.528 -10.985
  469   1HZ   LYS  57           HZ3      LYS  57   1.337   0.063  -9.534
  470   2HZ   LYS  57           HZ2      LYS  57   2.446  -0.427 -10.713
  471   3HZ   LYS  57           HZ1      LYS  57   0.829  -0.161 -11.133
  472    H    TYR  58           H        TYR  58  -4.286   0.497  -5.726
  473    HA   TYR  58           HA       TYR  58  -5.472  -1.713  -4.301
  474   1HB   TYR  58           HB2      TYR  58  -5.559   0.644  -3.429
  475   2HB   TYR  58           HB3      TYR  58  -6.630   1.049  -4.767
  476    HD1  TYR  58           HD1      TYR  58  -8.430  -1.304  -4.823
  477    HD2  TYR  58           HD2      TYR  58  -6.844   0.869  -1.508
  478    HE1  TYR  58           HE1      TYR  58 -10.353  -2.000  -3.486
  479    HE2  TYR  58           HE2      TYR  58  -8.794   0.196  -0.161
  480    HH   TYR  58           HH       TYR  58 -11.113  -0.553  -0.499
  481    H    THR  59           H        THR  59  -6.310  -3.236  -5.559
  482    HA   THR  59           HA       THR  59  -7.956  -2.444  -7.856
  483    HB   THR  59           HB       THR  59  -7.243  -5.296  -7.266
  484    HG1  THR  59           HG1      THR  59  -5.196  -4.995  -7.788
  485   1HG2  THR  59          3HG2      THR  59  -7.546  -3.702  -9.818
  486   2HG2  THR  59          2HG2      THR  59  -7.227  -5.434  -9.719
  487   3HG2  THR  59          1HG2      THR  59  -8.754  -4.783  -9.124
  488    HA   PRO  60           HA       PRO  60 -11.367  -3.711  -5.242
  489   1HB   PRO  60           HB2      PRO  60 -13.231  -2.228  -6.449
  490   2HB   PRO  60           HB3      PRO  60 -11.967  -1.492  -5.463
  491   1HG   PRO  60           HG2      PRO  60 -12.288  -1.523  -8.402
  492   2HG   PRO  60           HG3      PRO  60 -11.458  -0.347  -7.373
  493   1HD   PRO  60           HD2      PRO  60 -10.309  -2.496  -8.869
  494   2HD   PRO  60           HD3      PRO  60  -9.488  -1.332  -7.812
  495    H    THR  61           H        THR  61 -13.867  -4.095  -6.011
  496    HA   THR  61           HA       THR  61 -13.757  -6.528  -7.519
  497    HB   THR  61           HB       THR  61 -16.444  -5.818  -7.111
  498    HG1  THR  61           HG1      THR  61 -16.358  -4.455  -5.503
  499   1HG2  THR  61          3HG2      THR  61 -14.615  -7.534  -5.429
  500   2HG2  THR  61          2HG2      THR  61 -16.379  -7.585  -5.405
  501   3HG2  THR  61          1HG2      THR  61 -15.503  -8.060  -6.860
  502    HA   PRO  62           HA       PRO  62 -14.879  -5.248 -11.574
  503   1HB   PRO  62           HB2      PRO  62 -17.123  -7.190 -11.517
  504   2HB   PRO  62           HB3      PRO  62 -15.766  -7.070 -12.642
  505   1HG   PRO  62           HG2      PRO  62 -15.837  -8.998 -10.806
  506   2HG   PRO  62           HG3      PRO  62 -14.314  -8.184 -11.209
  507   1HD   PRO  62           HD2      PRO  62 -16.101  -7.788  -8.844
  508   2HD   PRO  62           HD3      PRO  62 -14.328  -7.836  -8.922
  509    H    SER  63           H        SER  63 -15.918  -3.475 -12.165
  510    HA   SER  63           HA       SER  63 -18.363  -2.691 -10.805
  511   1HB   SER  63           HB2      SER  63 -16.658  -1.222 -12.831
  512   2HB   SER  63           HB3      SER  63 -18.034  -0.534 -11.972
  513    HG   SER  63           HG       SER  63 -15.947  -0.079 -11.022
  514    H    SER  64           H        SER  64 -19.662  -1.187 -12.677
  515    HA   SER  64           HA       SER  64 -21.204  -3.093 -14.046
  516   1HB   SER  64           HB2      SER  64 -22.108  -0.917 -13.378
  517   2HB   SER  64           HB3      SER  64 -21.017  -0.104 -14.499
  518    HG   SER  64           HG       SER  64 -22.219  -0.723 -16.150
  519    H    THR  65           H        THR  65 -18.227  -1.667 -14.844
  520    HA   THR  65           HA       THR  65 -18.346  -1.535 -17.636
  521    HB   THR  65           HB       THR  65 -15.890  -1.734 -17.596
  522    HG1  THR  65           HG1      THR  65 -16.422  -2.925 -15.198
  523   1HG2  THR  65          1HG2      THR  65 -16.910   0.429 -17.093
  524   2HG2  THR  65          3HG2      THR  65 -16.998   0.000 -15.384
  525   3HG2  THR  65          2HG2      THR  65 -15.429   0.205 -16.164
  526    HA   PRO  66           HA       PRO  66 -18.334  -5.755 -18.938
  527   1HB   PRO  66           HB2      PRO  66 -16.991  -5.643 -21.267
  528   2HB   PRO  66           HB3      PRO  66 -18.583  -4.897 -21.075
  529   1HG   PRO  66           HG2      PRO  66 -15.866  -3.628 -20.900
  530   2HG   PRO  66           HG3      PRO  66 -17.293  -3.071 -21.798
  531   1HD   PRO  66           HD2      PRO  66 -16.621  -2.058 -19.386
  532   2HD   PRO  66           HD3      PRO  66 -18.313  -2.242 -19.892
  533    H    MET  67           H        MET  67 -15.798  -4.432 -17.568
  534    HA   MET  67           HA       MET  67 -13.789  -6.408 -18.292
  535   1HB   MET  67           HB2      MET  67 -13.790  -3.920 -16.622
  536   2HB   MET  67           HB3      MET  67 -12.511  -5.107 -16.408
  537   1HG   MET  67           HG2      MET  67 -11.889  -3.289 -17.935
  538   2HG   MET  67           HG3      MET  67 -11.838  -4.875 -18.701
  539   1HE   MET  67           HE2      MET  67 -13.982  -5.800 -20.157
  540   2HE   MET  67           HE1      MET  67 -14.243  -4.730 -21.534
  541   3HE   MET  67           HE3      MET  67 -12.603  -5.143 -21.036
  542    H    VAL  68           H        VAL  68 -15.457  -8.039 -17.428
  543    HA   VAL  68           HA       VAL  68 -15.941  -8.321 -14.695
  544    HB   VAL  68           HB       VAL  68 -16.413 -10.694 -15.278
  545   1HG1  VAL  68          2HG1      VAL  68 -18.147  -9.000 -15.436
  546   2HG1  VAL  68          1HG1      VAL  68 -17.638  -8.622 -17.082
  547   3HG1  VAL  68          3HG1      VAL  68 -18.333 -10.201 -16.714
  548   1HG2  VAL  68          3HG2      VAL  68 -14.735 -10.985 -17.022
  549   2HG2  VAL  68          2HG2      VAL  68 -16.348 -11.380 -17.619
  550   3HG2  VAL  68          1HG2      VAL  68 -15.602  -9.839 -18.046
  551    H    GLY  69           H        GLY  69 -14.832  -9.252 -13.068
  552   1HA   GLY  69           HA3      GLY  69 -12.573 -10.980 -13.537
  553   2HA   GLY  69           HA2      GLY  69 -13.177 -10.450 -11.974
  554    H    VAL  70           H        VAL  70 -12.824  -7.990 -11.611
  555    HA   VAL  70           HA       VAL  70 -10.408  -6.956 -12.815
  556    HB   VAL  70           HB       VAL  70 -12.113  -5.773 -10.628
  557   1HG1  VAL  70          1HG1      VAL  70  -9.931  -4.548 -12.314
  558   2HG1  VAL  70          3HG1      VAL  70 -10.969  -3.669 -11.192
  559   3HG1  VAL  70          2HG1      VAL  70  -9.853  -4.891 -10.586
  560   1HG2  VAL  70          2HG2      VAL  70 -13.352  -6.030 -12.712
  561   2HG2  VAL  70          1HG2      VAL  70 -13.014  -4.329 -12.390
  562   3HG2  VAL  70          3HG2      VAL  70 -12.064  -5.204 -13.590
  563    H    GLY  71           H        GLY  71 -11.133  -6.589  -9.431
  564   1HA   GLY  71           HA3      GLY  71  -8.809  -6.548  -8.250
  565   2HA   GLY  71           HA2      GLY  71  -8.831  -8.244  -8.698
  566    H    GLY  72           H        GLY  72  -9.879  -5.874  -6.460
  567   1HA   GLY  72           HA3      GLY  72 -11.620  -7.829  -5.114
  568   2HA   GLY  72           HA2      GLY  72 -11.640  -6.093  -4.839
  569    H    ILE  73           H        ILE  73  -8.560  -6.292  -4.895
  570    HA   ILE  73           HA       ILE  73  -8.321  -6.901  -2.051
  571    HB   ILE  73           HB       ILE  73  -6.160  -8.018  -2.415
  572   1HG1  ILE  73          2HG1      ILE  73  -6.858  -8.495  -5.271
  573   2HG1  ILE  73          3HG1      ILE  73  -6.015  -7.011  -4.826
  574   1HG2  ILE  73          2HG2      ILE  73  -8.284  -9.255  -2.083
  575   2HG2  ILE  73          1HG2      ILE  73  -8.358  -9.474  -3.832
  576   3HG2  ILE  73          3HG2      ILE  73  -7.014 -10.160  -2.912
  577   1HD1  ILE  73          1HD1      ILE  73  -4.244  -8.348  -3.784
  578   2HD1  ILE  73          3HD1      ILE  73  -5.079  -9.820  -4.282
  579   3HD1  ILE  73          2HD1      ILE  73  -4.437  -8.717  -5.501
  580    H    TYR  74           H        TYR  74  -5.555  -6.577  -1.894
  581    HA   TYR  74           HA       TYR  74  -5.040  -3.882  -2.921
  582   1HB   TYR  74           HB2      TYR  74  -4.273  -4.499  -0.102
  583   2HB   TYR  74           HB3      TYR  74  -4.692  -2.953  -0.837
  584    HD1  TYR  74           HD1      TYR  74  -6.880  -2.094  -0.673
  585    HD2  TYR  74           HD2      TYR  74  -6.143  -6.138   0.418
  586    HE1  TYR  74           HE1      TYR  74  -9.140  -2.251   0.289
  587    HE2  TYR  74           HE2      TYR  74  -8.395  -6.300   1.374
  588    HH   TYR  74           HH       TYR  74 -10.800  -3.977   0.823
  589    H    VAL  75           H        VAL  75  -3.222  -4.175  -4.121
  590    HA   VAL  75           HA       VAL  75  -1.191  -6.031  -3.092
  591    HB   VAL  75           HB       VAL  75  -1.873  -6.627  -5.317
  592   1HG1  VAL  75          3HG1      VAL  75  -1.204  -3.793  -6.079
  593   2HG1  VAL  75          2HG1      VAL  75  -1.541  -5.089  -7.225
  594   3HG1  VAL  75          1HG1      VAL  75  -2.795  -4.555  -6.104
  595   1HG2  VAL  75          3HG2      VAL  75   0.486  -6.904  -4.786
  596   2HG2  VAL  75          2HG2      VAL  75   0.264  -6.527  -6.495
  597   3HG2  VAL  75          1HG2      VAL  75   0.822  -5.278  -5.381
  598    H    VAL  76           H        VAL  76   0.324  -5.100  -1.958
  599    HA   VAL  76           HA       VAL  76   1.130  -2.345  -2.590
  600    HB   VAL  76           HB       VAL  76   1.718  -3.921  -0.085
  601   1HG1  VAL  76          2HG1      VAL  76   1.970  -0.989  -0.735
  602   2HG1  VAL  76          1HG1      VAL  76   2.201  -1.696   0.864
  603   3HG1  VAL  76          3HG1      VAL  76   3.288  -2.127  -0.456
  604   1HG2  VAL  76          1HG2      VAL  76  -0.710  -3.573  -0.433
  605   2HG2  VAL  76          3HG2      VAL  76  -0.081  -2.733   0.985
  606   3HG2  VAL  76          2HG2      VAL  76  -0.418  -1.835  -0.494
  607    H    LEU  77           H        LEU  77   3.026  -1.988  -3.563
  608    HA   LEU  77           HA       LEU  77   5.120  -4.052  -3.380
  609   1HB   LEU  77           HB2      LEU  77   4.630  -1.924  -5.463
  610   2HB   LEU  77           HB3      LEU  77   6.087  -2.892  -5.401
  611    HG   LEU  77           HG       LEU  77   3.282  -3.951  -5.810
  612   1HD1  LEU  77          1HD1      LEU  77   4.098  -2.711  -7.741
  613   2HD1  LEU  77          3HD1      LEU  77   5.583  -3.663  -7.738
  614   3HD1  LEU  77          2HD1      LEU  77   4.038  -4.441  -8.083
  615   1HD2  LEU  77          2HD2      LEU  77   5.066  -5.387  -4.603
  616   2HD2  LEU  77          1HD2      LEU  77   4.160  -6.087  -5.947
  617   3HD2  LEU  77          3HD2      LEU  77   5.804  -5.505  -6.201
  618    H    VAL  78           H        VAL  78   6.336  -3.490  -1.656
  619    HA   VAL  78           HA       VAL  78   6.992  -0.667  -1.268
  620    HB   VAL  78           HB       VAL  78   8.198  -2.394   0.687
  621   1HG1  VAL  78          1HG1      VAL  78   7.717  -0.018   1.008
  622   2HG1  VAL  78          3HG1      VAL  78   5.985  -0.340   0.868
  623   3HG1  VAL  78          2HG1      VAL  78   6.901  -0.993   2.230
  624   1HG2  VAL  78          2HG2      VAL  78   6.434  -3.969   0.087
  625   2HG2  VAL  78          1HG2      VAL  78   6.180  -3.310   1.702
  626   3HG2  VAL  78          3HG2      VAL  78   5.223  -2.715   0.346
  627    H    LYS  79           H        LYS  79   8.672   0.032  -2.389
  628    HA   LYS  79           HA       LYS  79  11.047  -1.698  -2.613
  629   1HB   LYS  79           HB2      LYS  79   9.813   0.282  -4.483
  630   2HB   LYS  79           HB3      LYS  79  11.546  -0.002  -4.558
  631   1HG   LYS  79           HG2      LYS  79  11.098  -2.408  -4.884
  632   2HG   LYS  79           HG3      LYS  79   9.362  -2.050  -4.930
  633   1HD   LYS  79           HD2      LYS  79  11.421  -0.878  -6.805
  634   2HD   LYS  79           HD3      LYS  79  10.386  -2.258  -7.181
  635   1HE   LYS  79           HE2      LYS  79   8.405  -0.852  -6.869
  636   2HE   LYS  79           HE3      LYS  79   9.443   0.526  -6.504
  637   1HZ   LYS  79           HZ3      LYS  79   9.377  -0.953  -9.080
  638   2HZ   LYS  79           HZ2      LYS  79   8.692   0.568  -8.797
  639   3HZ   LYS  79           HZ1      LYS  79  10.371   0.371  -8.729
  640    HA   PRO  80           HA       PRO  80  12.455   1.512   0.360
  641   1HB   PRO  80           HB2      PRO  80  14.921   0.169   0.569
  642   2HB   PRO  80           HB3      PRO  80  13.564   0.072   1.692
  643   1HG   PRO  80           HG2      PRO  80  14.364  -1.788  -0.479
  644   2HG   PRO  80           HG3      PRO  80  13.561  -2.134   1.064
  645   1HD   PRO  80           HD2      PRO  80  12.229  -2.170  -1.272
  646   2HD   PRO  80           HD3      PRO  80  11.467  -1.617   0.235
  647    H    ARG  81           H        ARG  81  12.818   3.277  -0.852
  648    HA   ARG  81           HA       ARG  81  14.573   3.377  -3.080
  649   1HB   ARG  81           HB2      ARG  81  12.826   5.211  -1.650
  650   2HB   ARG  81           HB3      ARG  81  14.311   5.987  -2.174
  651   1HG   ARG  81           HG2      ARG  81  13.883   5.444  -4.450
  652   2HG   ARG  81           HG3      ARG  81  12.525   4.406  -4.004
  653   1HD   ARG  81           HD2      ARG  81  11.261   6.288  -3.230
  654   2HD   ARG  81           HD3      ARG  81  12.641   7.366  -3.451
  655    HE   ARG  81           HE       ARG  81  11.941   6.101  -5.892
  656   1HH1  ARG  81          1HH1      ARG  81  10.953   8.631  -3.711
  657   2HH1  ARG  81          2HH1      ARG  81  10.177   9.568  -4.945
  658   1HH2  ARG  81          1HH2      ARG  81  10.921   7.326  -7.522
  659   2HH2  ARG  81          2HH2      ARG  81  10.158   8.826  -7.110
  660    H    LYS  82           H        LYS  82  14.907   4.105   0.335
  661    HA   LYS  82           HA       LYS  82  17.760   4.701  -0.104
  662   1HB   LYS  82           HB2      LYS  82  16.088   5.625   2.234
  663   2HB   LYS  82           HB3      LYS  82  17.717   6.137   1.821
  664   1HG   LYS  82           HG2      LYS  82  16.845   7.185  -0.227
  665   2HG   LYS  82           HG3      LYS  82  15.213   6.715   0.252
  666   1HD   LYS  82           HD2      LYS  82  15.446   8.044   2.304
  667   2HD   LYS  82           HD3      LYS  82  17.059   8.540   1.787
  668   1HE   LYS  82           HE2      LYS  82  14.483   9.099   0.319
  669   2HE   LYS  82           HE3      LYS  82  15.385  10.258   1.295
  670   1HZ   LYS  82           HZ1      LYS  82  17.248  10.035  -0.229
  671   2HZ   LYS  82           HZ3      LYS  82  16.379   8.926  -1.166
  672   3HZ   LYS  82           HZ2      LYS  82  15.857  10.531  -1.054
  673    H    ARG  83           H        ARG  83  18.878   4.428   2.244
  674    HA   ARG  83           HA       ARG  83  18.148   1.733   3.190
  675   1HB   ARG  83           HB2      ARG  83  20.942   2.864   3.109
  676   2HB   ARG  83           HB3      ARG  83  20.469   1.207   3.453
  677   1HG   ARG  83           HG2      ARG  83  19.872   0.803   1.208
  678   2HG   ARG  83           HG3      ARG  83  19.936   2.521   0.806
  679   1HD   ARG  83           HD2      ARG  83  22.351   2.519   1.218
  680   2HD   ARG  83           HD3      ARG  83  22.282   0.798   1.597
  681    HE   ARG  83           HE       ARG  83  21.186   1.127  -0.934
  682   1HH1  ARG  83          1HH1      ARG  83  24.260   1.585   0.643
  683   2HH1  ARG  83          2HH1      ARG  83  25.185   1.288  -0.790
  684   1HH2  ARG  83          1HH2      ARG  83  22.396   0.734  -2.826
  685   2HH2  ARG  83          2HH2      ARG  83  24.126   0.805  -2.763
  686    H    GLY  84           H        GLY  84  18.202   1.351   5.380
  687   1HA   GLY  84           HA3      GLY  84  18.374   3.761   7.051
  688   2HA   GLY  84           HA2      GLY  84  19.340   2.361   7.494
  689    H    HIS  85           H        HIS  85  16.348   3.893   7.800
  690    HA   HIS  85           HA       HIS  85  15.127   1.443   8.886
  691   1HB   HIS  85           HB2      HIS  85  15.007   4.210  10.102
  692   2HB   HIS  85           HB3      HIS  85  14.170   2.785  10.710
  693    HD1  HIS  85           HD1      HIS  85  17.431   4.510  10.755
  694    HD2  HIS  85           HD2      HIS  85  15.890   0.820  11.880
  695    HE1  HIS  85           HE1      HIS  85  19.171   3.483  12.252
  696    HE2  HIS  85           HE2      HIS  85  18.176   1.291  12.993
  697    H    HIS  86           H        HIS  86  13.762   1.081   7.191
  698    HA   HIS  86           HA       HIS  86  11.823   3.201   6.548
  699   1HB   HIS  86           HB2      HIS  86  12.615   0.762   4.939
  700   2HB   HIS  86           HB3      HIS  86  11.402   1.943   4.463
  701    HD1  HIS  86           HD1      HIS  86  14.331   3.485   6.013
  702    HD2  HIS  86           HD2      HIS  86  13.161   2.338   2.196
  703    HE1  HIS  86           HE1      HIS  86  15.892   4.679   4.446
  704    HE2  HIS  86           HE2      HIS  86  15.096   4.053   2.139
  705    H    THR  87           H        THR  87   9.574   2.412   6.080
  706    HA   THR  87           HA       THR  87   8.812  -0.133   7.198
  707    HB   THR  87           HB       THR  87   8.000   2.397   8.635
  708    HG1  THR  87           HG1      THR  87   9.571   0.161   9.454
  709   1HG2  THR  87          2HG2      THR  87   7.191  -0.478   9.076
  710   2HG2  THR  87          1HG2      THR  87   6.821   0.859  10.168
  711   3HG2  THR  87          3HG2      THR  87   6.146   0.842   8.537
  712    H    LEU  88           H        LEU  88   6.672  -0.714   6.792
  713    HA   LEU  88           HA       LEU  88   5.167   1.113   5.042
  714   1HB   LEU  88           HB2      LEU  88   5.978  -0.716   3.714
  715   2HB   LEU  88           HB3      LEU  88   5.439  -1.887   4.899
  716    HG   LEU  88           HG       LEU  88   3.069  -1.073   4.409
  717   1HD1  LEU  88          1HD1      LEU  88   3.679   1.018   3.323
  718   2HD1  LEU  88          3HD1      LEU  88   4.469   0.121   2.026
  719   3HD1  LEU  88          2HD1      LEU  88   2.724  -0.003   2.249
  720   1HD2  LEU  88          3HD2      LEU  88   4.243  -3.176   3.530
  721   2HD2  LEU  88          2HD2      LEU  88   2.786  -2.624   2.701
  722   3HD2  LEU  88          1HD2      LEU  88   4.373  -2.293   2.011
  723    H    GLU  89           H        GLU  89   4.133   1.881   6.969
  724    HA   GLU  89           HA       GLU  89   2.596   0.067   8.578
  725   1HB   GLU  89           HB2      GLU  89   1.615   2.586   9.119
  726   2HB   GLU  89           HB3      GLU  89   2.924   1.783   9.976
  727   1HG   GLU  89           HG2      GLU  89   4.567   2.894   8.702
  728   2HG   GLU  89           HG3      GLU  89   3.373   3.470   7.544
  729    H    LEU  90           H        LEU  90   0.932  -0.914   7.681
  730    HA   LEU  90           HA       LEU  90  -0.866   0.616   5.939
  731   1HB   LEU  90           HB2      LEU  90  -0.575  -2.362   6.346
  732   2HB   LEU  90           HB3      LEU  90  -1.803  -1.624   5.338
  733    HG   LEU  90           HG       LEU  90   1.182  -1.512   4.889
  734   1HD1  LEU  90          3HD1      LEU  90   0.183  -3.665   4.341
  735   2HD1  LEU  90          2HD1      LEU  90  -1.028  -2.860   3.345
  736   3HD1  LEU  90          1HD1      LEU  90   0.672  -2.806   2.881
  737   1HD2  LEU  90          1HD2      LEU  90  -1.062  -0.293   3.283
  738   2HD2  LEU  90          3HD2      LEU  90   0.151   0.584   4.216
  739   3HD2  LEU  90          2HD2      LEU  90   0.636  -0.352   2.803
  740    H    VAL  91           H        VAL  91  -3.163   0.446   6.253
  741    HA   VAL  91           HA       VAL  91  -4.054  -0.531   8.850
  742    HB   VAL  91           HB       VAL  91  -3.359   1.763   9.310
  743   1HG1  VAL  91          1HG1      VAL  91  -5.241   2.487   7.068
  744   2HG1  VAL  91          3HG1      VAL  91  -4.592   3.650   8.226
  745   3HG1  VAL  91          2HG1      VAL  91  -3.499   2.774   7.152
  746   1HG2  VAL  91          2HG2      VAL  91  -6.352   1.409   9.262
  747   2HG2  VAL  91          1HG2      VAL  91  -5.249   0.932  10.553
  748   3HG2  VAL  91          3HG2      VAL  91  -5.495   2.640  10.189
  749    H    TYR  92           H        TYR  92  -6.323  -0.768   9.026
  750    HA   TYR  92           HA       TYR  92  -7.731  -0.887   6.449
  751   1HB   TYR  92           HB2      TYR  92  -7.448  -2.944   7.965
  752   2HB   TYR  92           HB3      TYR  92  -8.614  -2.171   9.031
  753    HD1  TYR  92           HD1      TYR  92 -10.611  -3.318   8.904
  754    HD2  TYR  92           HD2      TYR  92  -8.475  -2.524   5.311
  755    HE1  TYR  92           HE1      TYR  92 -12.447  -4.306   7.601
  756    HE2  TYR  92           HE2      TYR  92 -10.307  -3.507   3.998
  757    HH   TYR  92           HH       TYR  92 -13.354  -4.190   5.315
  758    H    THR  93           H        THR  93  -8.471   1.236   6.268
  759    HA   THR  93           HA       THR  93 -10.409   2.097   8.323
  760    HB   THR  93           HB       THR  93  -8.374   3.375   8.607
  761    HG1  THR  93           HG1      THR  93 -10.582   4.389   8.631
  762   1HG2  THR  93          1HG2      THR  93  -8.655   3.702   5.651
  763   2HG2  THR  93          3HG2      THR  93  -7.897   4.989   6.591
  764   3HG2  THR  93          2HG2      THR  93  -7.216   3.361   6.616
  765    H    ARG  94           H        ARG  94 -11.952   3.726   7.595
  766    HA   ARG  94           HA       ARG  94 -12.798   3.240   4.839
  767   1HB   ARG  94           HB2      ARG  94 -14.254   4.675   7.067
  768   2HB   ARG  94           HB3      ARG  94 -14.932   4.199   5.516
  769   1HG   ARG  94           HG2      ARG  94 -14.623   1.848   6.099
  770   2HG   ARG  94           HG3      ARG  94 -13.947   2.329   7.658
  771   1HD   ARG  94           HD2      ARG  94 -16.297   1.697   7.865
  772   2HD   ARG  94           HD3      ARG  94 -16.049   3.398   8.258
  773    HE   ARG  94           HE       ARG  94 -16.744   3.103   5.531
  774   1HH1  ARG  94          1HH1      ARG  94 -18.105   2.975   8.736
  775   2HH1  ARG  94          2HH1      ARG  94 -19.696   3.422   8.218
  776   1HH2  ARG  94          1HH2      ARG  94 -18.835   3.693   4.840
  777   2HH2  ARG  94          2HH2      ARG  94 -20.112   3.829   6.004
  778    HA   PRO  95           HA       PRO  95 -10.530   7.158   3.981
  779   1HB   PRO  95           HB2      PRO  95 -11.537   6.980   1.326
  780   2HB   PRO  95           HB3      PRO  95  -9.913   6.589   1.885
  781   1HG   PRO  95           HG2      PRO  95 -12.217   4.797   1.368
  782   2HG   PRO  95           HG3      PRO  95 -10.480   4.461   1.250
  783   1HD   PRO  95           HD2      PRO  95 -11.948   3.489   3.262
  784   2HD   PRO  95           HD3      PRO  95 -10.280   4.037   3.519
  785    H    PHE  96           H        PHE  96 -13.848   6.292   3.131
  786    HA   PHE  96           HA       PHE  96 -14.694   8.926   2.532
  787   1HB   PHE  96           HB2      PHE  96 -16.253   6.439   3.241
  788   2HB   PHE  96           HB3      PHE  96 -16.939   7.912   2.586
  789    HD1  PHE  96           HD1      PHE  96 -14.625   5.138   1.850
  790    HD2  PHE  96           HD2      PHE  96 -16.936   8.344   0.274
  791    HE1  PHE  96           HE1      PHE  96 -14.195   4.320  -0.429
  792    HE2  PHE  96           HE2      PHE  96 -16.512   7.530  -2.010
  793    HZ   PHE  96           HZ       PHE  96 -15.140   5.515  -2.364
  794    H    GLU  97           H        GLU  97 -14.748   6.937   5.448
  795    HA   GLU  97           HA       GLU  97 -16.100   9.104   6.898
  796   1HB   GLU  97           HB2      GLU  97 -15.567   6.240   7.691
  797   2HB   GLU  97           HB3      GLU  97 -16.396   7.421   8.696
  798   1HG   GLU  97           HG2      GLU  97 -17.325   6.428   6.009
  799   2HG   GLU  97           HG3      GLU  97 -17.963   5.933   7.576
  800    H    GLY  98           H        GLY  98 -13.052   8.438   6.144
  801   1HA   GLY  98           HA3      GLY  98 -12.033   9.732   8.538
  802   2HA   GLY  98           HA2      GLY  98 -11.124   9.399   7.069
  803    H    ILE  99           H        ILE  99  -9.913   8.944   9.443
  804    HA   ILE  99           HA       ILE  99  -9.936   6.010   9.596
  805    HB   ILE  99           HB       ILE  99  -7.520   7.651  10.233
  806   1HG1  ILE  99          2HG1      ILE  99  -8.230   6.563   7.502
  807   2HG1  ILE  99          3HG1      ILE  99  -8.355   8.261   7.949
  808   1HG2  ILE  99          3HG2      ILE  99  -8.197   4.807   9.774
  809   2HG2  ILE  99          2HG2      ILE  99  -6.635   5.357   9.162
  810   3HG2  ILE  99          1HG2      ILE  99  -7.024   5.530  10.874
  811   1HD1  ILE  99          2HD1      ILE  99  -5.820   6.635   7.929
  812   2HD1  ILE  99          1HD1      ILE  99  -6.314   7.799   6.699
  813   3HD1  ILE  99          3HD1      ILE  99  -5.956   8.345   8.338
  814    H    LYS 100           H        LYS 100  -9.376   5.024  11.558
  815    HA   LYS 100           HA       LYS 100  -9.584   6.675  13.974
  816   1HB   LYS 100           HB2      LYS 100 -10.939   4.404  14.685
  817   2HB   LYS 100           HB3      LYS 100 -11.691   5.925  14.246
  818   1HG   LYS 100           HG2      LYS 100 -11.023   3.977  12.098
  819   2HG   LYS 100           HG3      LYS 100 -12.428   3.678  13.122
  820   1HD   LYS 100           HD2      LYS 100 -11.957   6.260  11.642
  821   2HD   LYS 100           HD3      LYS 100 -12.902   4.920  10.992
  822   1HE   LYS 100           HE2      LYS 100 -13.476   6.464  13.518
  823   2HE   LYS 100           HE3      LYS 100 -14.363   6.575  11.997
  824   1HZ   LYS 100           HZ1      LYS 100 -15.016   4.262  12.250
  825   2HZ   LYS 100           HZ3      LYS 100 -14.167   4.156  13.711
  826   3HZ   LYS 100           HZ2      LYS 100 -15.514   5.171  13.586
  827    HA   PRO 101           HA       PRO 101  -6.425   4.013  15.536
  828   1HB   PRO 101           HB2      PRO 101  -6.958   3.907  18.170
  829   2HB   PRO 101           HB3      PRO 101  -6.435   5.397  17.382
  830   1HG   PRO 101           HG2      PRO 101  -9.193   4.544  18.161
  831   2HG   PRO 101           HG3      PRO 101  -8.419   6.127  18.349
  832   1HD   PRO 101           HD2      PRO 101 -10.148   5.525  16.330
  833   2HD   PRO 101           HD3      PRO 101  -8.861   6.735  16.187
  834    H    GLU 102           H        GLU 102  -9.721   3.153  15.914
  835    HA   GLU 102           HA       GLU 102  -9.271   0.543  17.030
  836   1HB   GLU 102           HB2      GLU 102 -11.672   0.197  16.617
  837   2HB   GLU 102           HB3      GLU 102 -11.349   1.692  17.488
  838   1HG   GLU 102           HG2      GLU 102 -11.590   2.958  15.449
  839   2HG   GLU 102           HG3      GLU 102 -11.844   1.474  14.538
  840    H    ASN 103           H        ASN 103  -8.793   1.809  13.999
  841    HA   ASN 103           HA       ASN 103  -9.748  -0.299  12.352
  842   1HB   ASN 103           HB2      ASN 103  -7.663   1.836  11.904
  843   2HB   ASN 103           HB3      ASN 103  -8.166   0.704  10.655
  844   1HD2  ASN 103          1HD2      ASN 103 -10.947   0.703  11.626
  845   2HD2  ASN 103          2HD2      ASN 103 -11.621   2.200  11.095
  846    H    GLU 104           H        GLU 104  -8.579  -1.942  11.281
  847    HA   GLU 104           HA       GLU 104  -6.763  -3.370  12.841
  848   1HB   GLU 104           HB2      GLU 104  -8.015  -3.606  10.226
  849   2HB   GLU 104           HB3      GLU 104  -6.392  -4.268  10.257
  850   1HG   GLU 104           HG2      GLU 104  -7.814  -6.048  10.792
  851   2HG   GLU 104           HG3      GLU 104  -7.094  -5.543  12.316
  852    H    ARG 105           H        ARG 105  -4.559  -4.059  12.052
  853    HA   ARG 105           HA       ARG 105  -3.117  -1.803  10.829
  854   1HB   ARG 105           HB2      ARG 105  -2.884  -1.821  13.320
  855   2HB   ARG 105           HB3      ARG 105  -2.151  -3.408  13.199
  856   1HG   ARG 105           HG2      ARG 105  -0.270  -2.116  13.322
  857   2HG   ARG 105           HG3      ARG 105  -0.508  -2.164  11.570
  858   1HD   ARG 105           HD2      ARG 105  -0.068   0.107  12.293
  859   2HD   ARG 105           HD3      ARG 105  -1.712  -0.040  11.665
  860    HE   ARG 105           HE       ARG 105  -1.830  -0.455  14.407
  861   1HH1  ARG 105          1HH1      ARG 105  -1.020   2.115  12.196
  862   2HH1  ARG 105          2HH1      ARG 105  -1.502   3.376  13.282
  863   1HH2  ARG 105          1HH2      ARG 105  -2.465   1.201  15.844
  864   2HH2  ARG 105          2HH2      ARG 105  -2.322   2.857  15.356
  865    H    TYR 106           H        TYR 106  -0.994  -2.373  10.015
  866    HA   TYR 106           HA       TYR 106  -0.034  -5.005   9.794
  867   1HB   TYR 106           HB2      TYR 106  -1.996  -5.175   8.245
  868   2HB   TYR 106           HB3      TYR 106  -1.252  -3.930   7.239
  869    HD1  TYR 106           HD1      TYR 106  -1.160  -7.425   8.271
  870    HD2  TYR 106           HD2      TYR 106   0.791  -4.434   5.961
  871    HE1  TYR 106           HE1      TYR 106   0.108  -9.171   7.090
  872    HE2  TYR 106           HE2      TYR 106   2.063  -6.168   4.776
  873    HH   TYR 106           HH       TYR 106   2.798  -8.494   5.148
  874    H    THR 107           H        THR 107   1.487  -3.411  10.687
  875    HA   THR 107           HA       THR 107   2.761  -1.627   8.784
  876    HB   THR 107           HB       THR 107   3.521  -2.150  11.659
  877    HG1  THR 107           HG1      THR 107   2.030  -0.700  12.230
  878   1HG2  THR 107          1HG2      THR 107   5.221  -1.029  10.264
  879   2HG2  THR 107          3HG2      THR 107   4.044   0.223   9.874
  880   3HG2  THR 107          2HG2      THR 107   4.592   0.018  11.536
  881    H    LEU 108           H        LEU 108   4.018  -2.679   7.358
  882    HA   LEU 108           HA       LEU 108   5.696  -4.889   8.182
  883   1HB   LEU 108           HB2      LEU 108   4.634  -5.096   6.051
  884   2HB   LEU 108           HB3      LEU 108   5.232  -3.537   5.532
  885    HG   LEU 108           HG       LEU 108   7.511  -4.401   5.449
  886   1HD1  LEU 108          2HD1      LEU 108   6.291  -7.012   6.331
  887   2HD1  LEU 108          1HD1      LEU 108   7.955  -6.785   5.794
  888   3HD1  LEU 108          3HD1      LEU 108   7.391  -6.002   7.270
  889   1HD2  LEU 108          1HD2      LEU 108   6.031  -4.624   3.486
  890   2HD2  LEU 108          3HD2      LEU 108   7.275  -5.871   3.564
  891   3HD2  LEU 108          2HD2      LEU 108   5.616  -6.252   4.022
  892    H    HIS 109           H        HIS 109   7.196  -3.947   9.578
  893    HA   HIS 109           HA       HIS 109   8.764  -1.684   8.800
  894   1HB   HIS 109           HB2      HIS 109   8.776  -3.580  11.086
  895   2HB   HIS 109           HB3      HIS 109  10.214  -2.618  10.786
  896    HD1  HIS 109           HD1      HIS 109  10.164  -0.214  11.531
  897    HD2  HIS 109           HD2      HIS 109   6.438  -2.042  11.705
  898    HE1  HIS 109           HE1      HIS 109   8.672   1.418  12.729
  899    HE2  HIS 109           HE2      HIS 109   6.400   0.327  12.746
  900    H    LEU 110           H        LEU 110  10.903  -1.629   8.181
  901    HA   LEU 110           HA       LEU 110  12.244  -4.104   7.459
  902   1HB   LEU 110           HB2      LEU 110  11.601  -1.948   5.445
  903   2HB   LEU 110           HB3      LEU 110  12.658  -3.314   5.148
  904    HG   LEU 110           HG       LEU 110   9.712  -3.536   5.795
  905   1HD1  LEU 110          3HD1      LEU 110  11.146  -3.713   3.147
  906   2HD1  LEU 110          2HD1      LEU 110   9.445  -4.095   3.419
  907   3HD1  LEU 110          1HD1      LEU 110  10.026  -2.446   3.650
  908   1HD2  LEU 110          3HD2      LEU 110  11.160  -5.476   6.406
  909   2HD2  LEU 110          2HD2      LEU 110   9.919  -5.836   5.206
  910   3HD2  LEU 110          1HD2      LEU 110  11.595  -5.616   4.703
  911    H    ASN 111           H        ASN 111  14.070  -3.759   8.616
  912    HA   ASN 111           HA       ASN 111  15.302  -1.159   8.761
  913   1HB   ASN 111           HB2      ASN 111  15.407  -2.707  10.677
  914   2HB   ASN 111           HB3      ASN 111  16.308  -3.859   9.699
  915   1HD2  ASN 111          1HD2      ASN 111  18.073  -3.834  11.063
  916   2HD2  ASN 111          2HD2      ASN 111  19.147  -2.485  11.167
  917    H    VAL 112           H        VAL 112  15.369  -1.056   6.379
  918    HA   VAL 112           HA       VAL 112  16.785  -2.639   4.660
  919    HB   VAL 112           HB       VAL 112  17.082   0.325   4.381
  920   1HG1  VAL 112          1HG1      VAL 112  17.930  -1.206   2.654
  921   2HG1  VAL 112          3HG1      VAL 112  16.300  -1.848   2.447
  922   3HG1  VAL 112          2HG1      VAL 112  16.642  -0.163   2.049
  923   1HG2  VAL 112          3HG2      VAL 112  14.488  -1.195   4.251
  924   2HG2  VAL 112          2HG2      VAL 112  14.862   0.246   5.196
  925   3HG2  VAL 112          1HG2      VAL 112  14.737   0.352   3.442
  926    H    LYS 113           H        LYS 113  18.806  -3.358   4.709
  927    HA   LYS 113           HA       LYS 113  20.821  -2.132   6.333
  928   1HB   LYS 113           HB2      LYS 113  21.031  -4.393   4.339
  929   2HB   LYS 113           HB3      LYS 113  22.268  -3.940   5.501
  930   1HG   LYS 113           HG2      LYS 113  19.503  -4.903   6.207
  931   2HG   LYS 113           HG3      LYS 113  20.959  -5.899   6.204
  932   1HD   LYS 113           HD2      LYS 113  20.572  -3.426   7.890
  933   2HD   LYS 113           HD3      LYS 113  20.325  -5.078   8.459
  934   1HE   LYS 113           HE2      LYS 113  22.912  -3.935   7.410
  935   2HE   LYS 113           HE3      LYS 113  22.526  -4.234   9.104
  936   1HZ   LYS 113           HZ1      LYS 113  22.340  -6.591   8.609
  937   2HZ   LYS 113           HZ3      LYS 113  22.710  -6.304   6.983
  938   3HZ   LYS 113           HZ2      LYS 113  23.870  -6.010   8.178

  No H/Q in entry =         938
  Start of MODEL    9
    1    H1   GLY  -2           HT3      GLY  -2  -6.898  -4.190  19.274
    2    H2   GLY  -2           HT2      GLY  -2  -6.823  -5.375  20.480
    3    H3   GLY  -2           HT1      GLY  -2  -7.077  -5.824  18.868
    4   1HA   GLY  -2           HA2      GLY  -2  -9.140  -5.952  20.104
    5   2HA   GLY  -2           HA3      GLY  -2  -9.218  -4.722  18.851
    6    H    SER  -1           H        SER  -1 -10.544  -3.207  19.637
    7    HA   SER  -1           HA       SER  -1  -9.705  -1.765  22.015
    8   1HB   SER  -1           HB2      SER  -1 -11.412  -0.112  21.335
    9   2HB   SER  -1           HB3      SER  -1 -10.296  -0.477  20.020
   10    HG   SER  -1           HG       SER  -1 -12.439  -0.489  19.282
   11    H    HIS   0           H        HIS   0 -12.692  -3.285  20.809
   12    HA   HIS   0           HA       HIS   0 -13.672  -3.389  23.580
   13   1HB   HIS   0           HB2      HIS   0 -15.911  -3.820  22.490
   14   2HB   HIS   0           HB3      HIS   0 -15.224  -2.226  22.194
   15    HD1  HIS   0           HD1      HIS   0 -14.460  -1.691  19.784
   16    HD2  HIS   0           HD2      HIS   0 -16.139  -5.464  20.238
   17    HE1  HIS   0           HE1      HIS   0 -14.898  -2.516  17.449
   18    HE2  HIS   0           HE2      HIS   0 -15.837  -4.836  17.747
   19    H    MET   1           H        MET   1 -13.137  -5.322  20.680
   20    HA   MET   1           HA       MET   1 -13.124  -7.723  22.349
   21   1HB   MET   1           HB2      MET   1 -14.718  -7.436  19.797
   22   2HB   MET   1           HB3      MET   1 -14.409  -8.966  20.608
   23   1HG   MET   1           HG2      MET   1 -15.572  -8.092  22.606
   24   2HG   MET   1           HG3      MET   1 -15.959  -6.630  21.700
   25   1HE   MET   1           HE1      MET   1 -16.497  -7.847  18.790
   26   2HE   MET   1           HE3      MET   1 -18.246  -8.065  18.842
   27   3HE   MET   1           HE2      MET   1 -17.518  -6.611  19.526
   28    H    ILE   2           H        ILE   2 -12.357  -9.658  20.939
   29    HA   ILE   2           HA       ILE   2  -9.847  -8.855  19.765
   30    HB   ILE   2           HB       ILE   2  -9.430 -11.286  19.531
   31   1HG1  ILE   2          2HG1      ILE   2 -12.127 -11.588  20.875
   32   2HG1  ILE   2          3HG1      ILE   2 -11.807 -11.943  19.181
   33   1HG2  ILE   2          3HG2      ILE   2  -8.794 -10.109  21.566
   34   2HG2  ILE   2          2HG2      ILE   2 -10.390 -10.411  22.253
   35   3HG2  ILE   2          1HG2      ILE   2  -9.300 -11.759  21.930
   36   1HD1  ILE   2          2HD1      ILE   2 -10.235 -13.687  19.845
   37   2HD1  ILE   2          1HD1      ILE   2 -10.569 -13.336  21.541
   38   3HD1  ILE   2          3HD1      ILE   2 -11.846 -13.969  20.504
   39    H    ALA   3           H        ALA   3 -12.931 -10.100  18.666
   40    HA   ALA   3           HA       ALA   3 -13.820 -10.440  16.600
   41   1HB   ALA   3           HB3      ALA   3 -11.733  -8.431  15.762
   42   2HB   ALA   3           HB1      ALA   3 -13.337  -8.051  16.389
   43   3HB   ALA   3           HB2      ALA   3 -13.169  -8.884  14.844
   44    HA   PRO   4           HA       PRO   4 -10.611 -13.474  15.328
   45   1HB   PRO   4           HB2      PRO   4 -12.267 -15.587  15.115
   46   2HB   PRO   4           HB3      PRO   4 -11.622 -15.054  16.672
   47   1HG   PRO   4           HG2      PRO   4 -14.308 -14.535  15.455
   48   2HG   PRO   4           HG3      PRO   4 -13.904 -14.977  17.124
   49   1HD   PRO   4           HD2      PRO   4 -14.439 -12.420  16.341
   50   2HD   PRO   4           HD3      PRO   4 -13.363 -12.819  17.696
   51    H    LEU   5           H        LEU   5 -13.023 -11.846  13.828
   52    HA   LEU   5           HA       LEU   5 -13.440 -13.384  11.476
   53   1HB   LEU   5           HB2      LEU   5 -14.989 -11.629  12.189
   54   2HB   LEU   5           HB3      LEU   5 -13.745 -10.418  11.947
   55    HG   LEU   5           HG       LEU   5 -13.748 -10.908   9.530
   56   1HD1  LEU   5          3HD1      LEU   5 -16.018 -12.770  10.215
   57   2HD1  LEU   5          2HD1      LEU   5 -15.532 -12.303   8.585
   58   3HD1  LEU   5          1HD1      LEU   5 -14.432 -13.235   9.601
   59   1HD2  LEU   5          3HD2      LEU   5 -15.159  -9.125  10.401
   60   2HD2  LEU   5          2HD2      LEU   5 -15.928  -9.923   9.029
   61   3HD2  LEU   5          1HD2      LEU   5 -16.466 -10.277  10.670
   62    H    SER   6           H        SER   6 -12.040 -13.788   9.914
   63    HA   SER   6           HA       SER   6 -10.270 -13.652   8.497
   64   1HB   SER   6           HB2      SER   6 -10.645 -10.675   8.907
   65   2HB   SER   6           HB3      SER   6  -9.682 -11.414   7.628
   66    HG   SER   6           HG       SER   6 -12.361 -12.179   7.929
   67    H    VAL   7           H        VAL   7  -8.020 -12.279   8.275
   68    HA   VAL   7           HA       VAL   7  -6.660 -12.836  10.794
   69    HB   VAL   7           HB       VAL   7  -5.430 -12.080   8.141
   70   1HG1  VAL   7          3HG1      VAL   7  -4.268 -13.392  10.595
   71   2HG1  VAL   7          2HG1      VAL   7  -3.414 -13.123   9.076
   72   3HG1  VAL   7          1HG1      VAL   7  -3.954 -11.748  10.041
   73   1HG2  VAL   7          3HG2      VAL   7  -5.968 -14.822   9.277
   74   2HG2  VAL   7          2HG2      VAL   7  -6.754 -14.100   7.873
   75   3HG2  VAL   7          1HG2      VAL   7  -5.033 -14.481   7.821
   76    H    LYS   8           H        LYS   8  -5.308 -11.349  11.845
   77    HA   LYS   8           HA       LYS   8  -5.761  -8.536  11.108
   78   1HB   LYS   8           HB2      LYS   8  -5.686  -7.965  13.473
   79   2HB   LYS   8           HB3      LYS   8  -6.959  -9.129  13.151
   80   1HG   LYS   8           HG2      LYS   8  -4.265 -10.012  14.109
   81   2HG   LYS   8           HG3      LYS   8  -5.503  -9.450  15.235
   82   1HD   LYS   8           HD2      LYS   8  -7.045 -11.160  14.370
   83   2HD   LYS   8           HD3      LYS   8  -5.776 -11.738  13.288
   84   1HE   LYS   8           HE2      LYS   8  -5.926 -13.129  15.283
   85   2HE   LYS   8           HE3      LYS   8  -4.377 -12.291  15.207
   86   1HZ   LYS   8           HZ3      LYS   8  -5.225 -10.660  16.776
   87   2HZ   LYS   8           HZ2      LYS   8  -6.706 -11.471  16.855
   88   3HZ   LYS   8           HZ1      LYS   8  -5.303 -12.218  17.430
   89    H    ASP   9           H        ASP   9  -3.543 -10.934  11.424
   90    HA   ASP   9           HA       ASP   9  -1.271  -9.999  12.567
   91   1HB   ASP   9           HB2      ASP   9  -1.459 -12.164  11.354
   92   2HB   ASP   9           HB3      ASP   9  -1.359 -11.286   9.831
   93    H    ASN  10           H        ASN  10  -0.237  -8.123  12.458
   94    HA   ASN  10           HA       ASN  10  -0.223  -6.678   9.910
   95   1HB   ASN  10           HB2      ASN  10  -0.053  -4.608  11.437
   96   2HB   ASN  10           HB3      ASN  10  -1.615  -5.377  11.235
   97   1HD2  ASN  10          1HD2      ASN  10  -0.777  -3.657  13.330
   98   2HD2  ASN  10          2HD2      ASN  10  -0.870  -4.559  14.795
   99    H    ASP  11           H        ASP  11   1.402  -6.216  12.992
  100    HA   ASP  11           HA       ASP  11   3.715  -5.134  12.162
  101   1HB   ASP  11           HB2      ASP  11   4.723  -5.964  14.223
  102   2HB   ASP  11           HB3      ASP  11   3.093  -5.368  14.497
  103    H    LYS  12           H        LYS  12   4.800  -5.767  10.477
  104    HA   LYS  12           HA       LYS  12   5.901  -8.505  10.425
  105   1HB   LYS  12           HB2      LYS  12   4.512  -6.997   8.367
  106   2HB   LYS  12           HB3      LYS  12   6.122  -7.465   7.837
  107   1HG   LYS  12           HG2      LYS  12   4.603  -9.582   9.156
  108   2HG   LYS  12           HG3      LYS  12   3.922  -9.021   7.628
  109   1HD   LYS  12           HD2      LYS  12   5.415 -10.856   7.184
  110   2HD   LYS  12           HD3      LYS  12   6.147  -9.369   6.577
  111   1HE   LYS  12           HE2      LYS  12   7.794 -10.755   7.722
  112   2HE   LYS  12           HE3      LYS  12   7.543  -9.231   8.574
  113   1HZ   LYS  12           HZ3      LYS  12   6.099 -10.381  10.132
  114   2HZ   LYS  12           HZ2      LYS  12   6.339 -11.842   9.316
  115   3HZ   LYS  12           HZ1      LYS  12   7.633 -11.093  10.105
  116    H    TRP  13           H        TRP  13   7.219  -7.008  11.937
  117    HA   TRP  13           HA       TRP  13   9.075  -5.223  10.706
  118   1HB   TRP  13           HB2      TRP  13   9.170  -6.348  13.506
  119   2HB   TRP  13           HB3      TRP  13   9.810  -4.815  12.930
  120    HD1  TRP  13           HD1      TRP  13   6.656  -4.774  11.311
  121    HE1  TRP  13           HE1      TRP  13   4.817  -3.617  12.676
  122    HE3  TRP  13           HE3      TRP  13   8.914  -4.782  15.910
  123    HZ2  TRP  13           HZ2      TRP  13   4.356  -2.812  15.324
  124    HZ3  TRP  13           HZ3      TRP  13   7.696  -3.793  17.808
  125    HH2  TRP  13           HH2      TRP  13   5.470  -2.828  17.522
  126    H    VAL  14           H        VAL  14  10.930  -5.706   9.769
  127    HA   VAL  14           HA       VAL  14  12.763  -7.625  10.758
  128    HB   VAL  14           HB       VAL  14  11.224  -9.279   9.965
  129   1HG1  VAL  14          2HG1      VAL  14  11.370  -7.883   7.302
  130   2HG1  VAL  14          1HG1      VAL  14  10.575  -9.431   7.592
  131   3HG1  VAL  14          3HG1      VAL  14   9.967  -7.970   8.369
  132   1HG2  VAL  14          1HG2      VAL  14  13.620  -9.724   9.664
  133   2HG2  VAL  14          3HG2      VAL  14  12.621 -10.550   8.468
  134   3HG2  VAL  14          2HG2      VAL  14  13.508  -9.093   8.021
  135    H    ASP  15           H        ASP  15  14.586  -7.959   9.400
  136    HA   ASP  15           HA       ASP  15  15.543  -5.583   8.242
  137   1HB   ASP  15           HB2      ASP  15  16.491  -8.379   8.525
  138   2HB   ASP  15           HB3      ASP  15  17.296  -7.384   7.311
  139    H    THR  16           H        THR  16  16.668  -5.739   5.952
  140    HA   THR  16           HA       THR  16  15.416  -7.237   3.913
  141    HB   THR  16           HB       THR  16  13.552  -5.631   4.619
  142    HG1  THR  16           HG1      THR  16  12.976  -6.308   2.698
  143   1HG2  THR  16          2HG2      THR  16  14.952  -3.623   4.828
  144   2HG2  THR  16          1HG2      THR  16  15.275  -3.678   3.095
  145   3HG2  THR  16          3HG2      THR  16  13.636  -3.389   3.678
  146    H    HIS  17           H        HIS  17  15.638  -5.750   1.715
  147    HA   HIS  17           HA       HIS  17  18.413  -4.757   1.755
  148   1HB   HIS  17           HB2      HIS  17  16.949  -6.509  -0.170
  149   2HB   HIS  17           HB3      HIS  17  18.216  -5.457  -0.788
  150    HD1  HIS  17           HD1      HIS  17  17.658  -8.640   0.943
  151    HD2  HIS  17           HD2      HIS  17  20.825  -6.020   0.336
  152    HE1  HIS  17           HE1      HIS  17  19.728  -9.941   1.530
  153    HE2  HIS  17           HE2      HIS  17  21.637  -8.362   1.070
  154    H    VAL  18           H        VAL  18  18.566  -3.647  -0.741
  155    HA   VAL  18           HA       VAL  18  16.887  -1.293  -0.391
  156    HB   VAL  18           HB       VAL  18  19.135  -1.713  -2.362
  157   1HG1  VAL  18          3HG1      VAL  18  17.715   0.780  -1.425
  158   2HG1  VAL  18          2HG1      VAL  18  19.143   0.753  -2.461
  159   3HG1  VAL  18          1HG1      VAL  18  17.626   0.058  -3.032
  160   1HG2  VAL  18          2HG2      VAL  18  19.173  -0.412   0.359
  161   2HG2  VAL  18          1HG2      VAL  18  19.952  -1.932  -0.082
  162   3HG2  VAL  18          3HG2      VAL  18  20.507  -0.416  -0.794
  163    H    GLY  19           H        GLY  19  15.216  -0.778  -1.603
  164   1HA   GLY  19           HA3      GLY  19  14.891  -1.249  -4.337
  165   2HA   GLY  19           HA2      GLY  19  13.602  -0.861  -3.215
  166    H    LYS  20           H        LYS  20  14.568  -3.475  -1.763
  167    HA   LYS  20           HA       LYS  20  13.931  -5.604  -3.485
  168   1HB   LYS  20           HB2      LYS  20  14.906  -5.459  -0.971
  169   2HB   LYS  20           HB3      LYS  20  13.248  -5.899  -0.619
  170   1HG   LYS  20           HG2      LYS  20  14.333  -7.936  -0.750
  171   2HG   LYS  20           HG3      LYS  20  13.585  -7.765  -2.342
  172   1HD   LYS  20           HD2      LYS  20  15.623  -7.143  -3.343
  173   2HD   LYS  20           HD3      LYS  20  16.373  -6.853  -1.779
  174   1HE   LYS  20           HE2      LYS  20  17.181  -8.935  -2.779
  175   2HE   LYS  20           HE3      LYS  20  16.299  -9.240  -1.283
  176   1HZ   LYS  20           HZ2      LYS  20  15.203  -9.545  -4.026
  177   2HZ   LYS  20           HZ1      LYS  20  15.679 -10.809  -3.008
  178   3HZ   LYS  20           HZ3      LYS  20  14.358  -9.837  -2.591
  179    H    THR  21           H        THR  21  12.120  -4.918  -4.643
  180    HA   THR  21           HA       THR  21   9.752  -3.899  -3.810
  181    HB   THR  21           HB       THR  21   9.852  -6.121  -5.841
  182    HG1  THR  21           HG1      THR  21  11.516  -4.636  -6.317
  183   1HG2  THR  21          1HG2      THR  21   7.634  -5.253  -5.249
  184   2HG2  THR  21          3HG2      THR  21   8.175  -3.618  -5.628
  185   3HG2  THR  21          2HG2      THR  21   8.068  -4.830  -6.905
  186    H    THR  22           H        THR  22   8.757  -4.497  -1.994
  187    HA   THR  22           HA       THR  22   8.295  -7.329  -1.450
  188    HB   THR  22           HB       THR  22   7.710  -4.886   0.245
  189    HG1  THR  22           HG1      THR  22   9.930  -5.286   0.089
  190   1HG2  THR  22          2HG2      THR  22   6.184  -6.745   0.746
  191   2HG2  THR  22          1HG2      THR  22   7.568  -7.815   0.974
  192   3HG2  THR  22          3HG2      THR  22   7.313  -6.457   2.071
  193    H    GLU  23           H        GLU  23   6.731  -7.933  -2.858
  194    HA   GLU  23           HA       GLU  23   4.318  -6.424  -3.199
  195   1HB   GLU  23           HB2      GLU  23   5.393  -7.769  -5.002
  196   2HB   GLU  23           HB3      GLU  23   4.976  -9.223  -4.106
  197   1HG   GLU  23           HG2      GLU  23   2.643  -8.799  -4.360
  198   2HG   GLU  23           HG3      GLU  23   2.964  -7.203  -5.042
  199    H    ILE  24           H        ILE  24   2.452  -6.681  -2.165
  200    HA   ILE  24           HA       ILE  24   2.027  -9.103  -0.574
  201    HB   ILE  24           HB       ILE  24   1.529  -6.334   0.484
  202   1HG1  ILE  24          2HG1      ILE  24   3.739  -8.273   1.184
  203   2HG1  ILE  24          3HG1      ILE  24   3.943  -6.786   0.267
  204   1HG2  ILE  24          1HG2      ILE  24   0.025  -8.048   1.352
  205   2HG2  ILE  24          3HG2      ILE  24   1.411  -9.033   1.821
  206   3HG2  ILE  24          2HG2      ILE  24   1.127  -7.480   2.606
  207   1HD1  ILE  24          2HD1      ILE  24   3.026  -6.956   3.124
  208   2HD1  ILE  24          1HD1      ILE  24   4.649  -6.531   2.582
  209   3HD1  ILE  24          3HD1      ILE  24   3.287  -5.479   2.198
  210    H    HIS  25           H        HIS  25   0.341  -9.899  -1.692
  211    HA   HIS  25           HA       HIS  25  -1.843  -8.222  -2.549
  212   1HB   HIS  25           HB2      HIS  25  -1.932 -11.222  -2.481
  213   2HB   HIS  25           HB3      HIS  25  -2.708 -10.121  -3.607
  214    HD1  HIS  25           HD1      HIS  25   0.023 -12.394  -3.437
  215    HD2  HIS  25           HD2      HIS  25  -0.617  -8.719  -5.268
  216    HE1  HIS  25           HE1      HIS  25   1.757 -12.235  -5.250
  217    HE2  HIS  25           HE2      HIS  25   1.285 -10.050  -6.409
  218    H    LEU  26           H        LEU  26  -3.011  -7.416  -0.915
  219    HA   LEU  26           HA       LEU  26  -3.665  -9.099   1.382
  220   1HB   LEU  26           HB2      LEU  26  -4.270  -6.187   0.936
  221   2HB   LEU  26           HB3      LEU  26  -4.416  -7.060   2.445
  222    HG   LEU  26           HG       LEU  26  -1.751  -6.811   1.088
  223   1HD1  LEU  26          2HD1      LEU  26  -2.628  -4.544   1.248
  224   2HD1  LEU  26          1HD1      LEU  26  -2.994  -4.797   2.955
  225   3HD1  LEU  26          3HD1      LEU  26  -1.319  -4.797   2.403
  226   1HD2  LEU  26          2HD2      LEU  26  -2.090  -8.384   2.990
  227   2HD2  LEU  26          1HD2      LEU  26  -0.890  -7.127   3.301
  228   3HD2  LEU  26          3HD2      LEU  26  -2.504  -6.997   4.001
  229    H    LYS  27           H        LYS  27  -5.767  -9.562   1.987
  230    HA   LYS  27           HA       LYS  27  -7.738  -9.278  -0.158
  231   1HB   LYS  27           HB2      LYS  27  -8.064 -10.999   2.284
  232   2HB   LYS  27           HB3      LYS  27  -8.862 -11.149   0.727
  233   1HG   LYS  27           HG2      LYS  27  -7.351 -12.865   0.625
  234   2HG   LYS  27           HG3      LYS  27  -6.450 -11.570  -0.165
  235   1HD   LYS  27           HD2      LYS  27  -5.278 -11.104   1.926
  236   2HD   LYS  27           HD3      LYS  27  -6.198 -12.374   2.734
  237   1HE   LYS  27           HE2      LYS  27  -5.230 -14.036   1.225
  238   2HE   LYS  27           HE3      LYS  27  -4.314 -12.768   0.413
  239   1HZ   LYS  27           HZ2      LYS  27  -4.031 -13.543   3.266
  240   2HZ   LYS  27           HZ1      LYS  27  -2.957 -13.948   2.023
  241   3HZ   LYS  27           HZ3      LYS  27  -3.149 -12.331   2.483
  242    H    GLY  28           H        GLY  28 -10.000  -8.878   0.490
  243   1HA   GLY  28           HA3      GLY  28 -10.189  -6.481   1.965
  244   2HA   GLY  28           HA2      GLY  28 -10.739  -7.814   2.965
  245    H    ASN  29           H        ASN  29 -12.182  -5.494   1.811
  246    HA   ASN  29           HA       ASN  29 -13.856  -6.322  -0.298
  247   1HB   ASN  29           HB2      ASN  29 -14.593  -7.970   1.419
  248   2HB   ASN  29           HB3      ASN  29 -15.082  -6.630   2.451
  249   1HD2  ASN  29          1HD2      ASN  29 -17.216  -7.273   2.474
  250   2HD2  ASN  29          2HD2      ASN  29 -18.251  -7.101   1.102
  251    HA   PRO  30           HA       PRO  30 -13.888  -1.795   0.522
  252   1HB   PRO  30           HB2      PRO  30 -14.882  -1.290  -2.029
  253   2HB   PRO  30           HB3      PRO  30 -13.178  -1.290  -1.571
  254   1HG   PRO  30           HG2      PRO  30 -14.793  -3.436  -2.869
  255   2HG   PRO  30           HG3      PRO  30 -13.110  -2.962  -3.164
  256   1HD   PRO  30           HD2      PRO  30 -13.707  -5.152  -1.750
  257   2HD   PRO  30           HD3      PRO  30 -12.330  -4.122  -1.309
  258    H    THR  31           H        THR  31 -16.405  -3.886  -0.779
  259    HA   THR  31           HA       THR  31 -18.544  -2.083  -0.719
  260    HB   THR  31           HB       THR  31 -20.021  -4.002  -0.703
  261    HG1  THR  31           HG1      THR  31 -19.425  -5.891   0.094
  262   1HG2  THR  31          2HG2      THR  31 -17.528  -4.549  -2.317
  263   2HG2  THR  31          1HG2      THR  31 -19.121  -5.244  -2.618
  264   3HG2  THR  31          3HG2      THR  31 -18.867  -3.508  -2.798
  265    H    THR  32           H        THR  32 -16.796  -3.490   1.854
  266    HA   THR  32           HA       THR  32 -18.855  -3.520   3.820
  267    HB   THR  32           HB       THR  32 -17.053  -3.697   5.471
  268    HG1  THR  32           HG1      THR  32 -14.866  -3.878   4.145
  269   1HG2  THR  32          3HG2      THR  32 -16.562  -5.371   3.006
  270   2HG2  THR  32          2HG2      THR  32 -15.998  -5.752   4.633
  271   3HG2  THR  32          1HG2      THR  32 -17.727  -5.718   4.284
  272    H    GLY  33           H        GLY  33 -16.208  -1.228   3.138
  273   1HA   GLY  33           HA3      GLY  33 -17.477   0.720   4.918
  274   2HA   GLY  33           HA2      GLY  33 -17.305   1.152   3.224
  275    H    TYR  34           H        TYR  34 -14.779  -0.820   4.336
  276    HA   TYR  34           HA       TYR  34 -13.107   1.531   4.912
  277   1HB   TYR  34           HB2      TYR  34 -12.764  -1.357   5.720
  278   2HB   TYR  34           HB3      TYR  34 -11.545  -0.117   5.983
  279    HD1  TYR  34           HD1      TYR  34 -15.021  -1.086   6.840
  280    HD2  TYR  34           HD2      TYR  34 -11.640   1.290   7.879
  281    HE1  TYR  34           HE1      TYR  34 -16.083  -0.520   8.984
  282    HE2  TYR  34           HE2      TYR  34 -12.698   1.856  10.024
  283    HH   TYR  34           HH       TYR  34 -14.954   1.962  10.997
  284    H    MET  35           H        MET  35 -10.659   0.838   4.479
  285    HA   MET  35           HA       MET  35 -10.329  -0.487   1.925
  286   1HB   MET  35           HB2      MET  35 -10.538   1.627   1.010
  287   2HB   MET  35           HB3      MET  35  -9.946   2.423   2.463
  288   1HG   MET  35           HG2      MET  35  -7.680   1.603   1.948
  289   2HG   MET  35           HG3      MET  35  -8.305   0.915   0.465
  290   1HE   MET  35           HE1      MET  35 -10.400   3.087  -0.495
  291   2HE   MET  35           HE3      MET  35  -9.401   4.089  -1.548
  292   3HE   MET  35           HE2      MET  35  -9.234   2.334  -1.583
  293    H    TRP  36           H        TRP  36  -8.177  -1.123   1.560
  294    HA   TRP  36           HA       TRP  36  -6.521  -1.080   3.982
  295   1HB   TRP  36           HB2      TRP  36  -7.114  -3.110   2.002
  296   2HB   TRP  36           HB3      TRP  36  -5.385  -2.878   2.203
  297    HD1  TRP  36           HD1      TRP  36  -7.972  -4.995   3.492
  298    HE1  TRP  36           HE1      TRP  36  -7.434  -5.873   5.854
  299    HE3  TRP  36           HE3      TRP  36  -4.219  -1.759   4.722
  300    HZ2  TRP  36           HZ2      TRP  36  -5.653  -5.269   7.955
  301    HZ3  TRP  36           HZ3      TRP  36  -3.149  -1.974   6.924
  302    HH2  TRP  36           HH2      TRP  36  -3.859  -3.693   8.504
  303    H    THR  37           H        THR  37  -5.730   1.020   3.561
  304    HA   THR  37           HA       THR  37  -3.684   1.077   1.443
  305    HB   THR  37           HB       THR  37  -5.540   2.498   0.741
  306    HG1  THR  37           HG1      THR  37  -3.540   4.285   1.656
  307   1HG2  THR  37          2HG2      THR  37  -6.486   2.990   2.949
  308   2HG2  THR  37          1HG2      THR  37  -5.078   3.979   3.342
  309   3HG2  THR  37          3HG2      THR  37  -6.174   4.476   2.052
  310    H    ARG  38           H        ARG  38  -1.892   2.652   1.930
  311    HA   ARG  38           HA       ARG  38  -0.757   2.172   4.416
  312   1HB   ARG  38           HB2      ARG  38  -0.146   3.900   2.122
  313   2HB   ARG  38           HB3      ARG  38   0.479   4.481   3.651
  314   1HG   ARG  38           HG2      ARG  38   2.015   2.893   3.819
  315   2HG   ARG  38           HG3      ARG  38   0.961   1.661   3.129
  316   1HD   ARG  38           HD2      ARG  38   2.128   3.849   1.452
  317   2HD   ARG  38           HD3      ARG  38   2.996   2.381   1.772
  318    HE   ARG  38           HE       ARG  38   1.035   2.676  -0.156
  319   1HH1  ARG  38          1HH1      ARG  38   1.911   0.460   2.388
  320   2HH1  ARG  38          2HH1      ARG  38   1.064  -0.878   1.691
  321   1HH2  ARG  38          1HH2      ARG  38  -0.090   0.905  -1.068
  322   2HH2  ARG  38          2HH2      ARG  38  -0.069  -0.625  -0.263
  323    H    VAL  39           H        VAL  39  -0.657   3.233   6.337
  324    HA   VAL  39           HA       VAL  39  -2.780   4.696   7.287
  325    HB   VAL  39           HB       VAL  39   0.054   4.887   8.321
  326   1HG1  VAL  39          3HG1      VAL  39  -2.601   5.303   9.692
  327   2HG1  VAL  39          2HG1      VAL  39  -1.024   5.329  10.481
  328   3HG1  VAL  39          1HG1      VAL  39  -1.430   6.555   9.280
  329   1HG2  VAL  39          1HG2      VAL  39  -0.908   2.543   7.991
  330   2HG2  VAL  39          3HG2      VAL  39  -0.291   2.950   9.593
  331   3HG2  VAL  39          2HG2      VAL  39  -2.030   2.954   9.289
  332    H    GLY  40           H        GLY  40  -3.280   6.836   7.532
  333   1HA   GLY  40           HA3      GLY  40  -1.484   8.977   7.094
  334   2HA   GLY  40           HA2      GLY  40  -3.235   9.103   7.163
  335    H    PHE  41           H        PHE  41  -2.599   6.852   4.870
  336    HA   PHE  41           HA       PHE  41  -2.521   8.859   2.719
  337   1HB   PHE  41           HB2      PHE  41  -1.449   6.043   2.706
  338   2HB   PHE  41           HB3      PHE  41  -1.505   7.088   1.301
  339    HD1  PHE  41           HD1      PHE  41   0.970   5.794   2.512
  340    HD2  PHE  41           HD2      PHE  41  -0.819   9.619   3.061
  341    HE1  PHE  41           HE1      PHE  41   3.159   6.727   3.132
  342    HE2  PHE  41           HE2      PHE  41   1.370  10.557   3.677
  343    HZ   PHE  41           HZ       PHE  41   3.362   9.111   3.714
  344    H    VAL  42           H        VAL  42  -4.918   8.310   3.861
  345    HA   VAL  42           HA       VAL  42  -6.285   6.384   2.154
  346    HB   VAL  42           HB       VAL  42  -6.893   6.435   4.519
  347   1HG1  VAL  42          1HG1      VAL  42  -6.402   8.798   4.952
  348   2HG1  VAL  42          3HG1      VAL  42  -7.830   9.257   4.023
  349   3HG1  VAL  42          2HG1      VAL  42  -8.008   8.342   5.520
  350   1HG2  VAL  42          3HG2      VAL  42  -9.081   7.449   2.708
  351   2HG2  VAL  42          2HG2      VAL  42  -8.596   5.768   2.931
  352   3HG2  VAL  42          1HG2      VAL  42  -9.331   6.657   4.264
  353    H    GLY  43           H        GLY  43  -7.400   6.958   0.356
  354   1HA   GLY  43           HA3      GLY  43  -8.734   9.411  -0.020
  355   2HA   GLY  43           HA2      GLY  43  -8.293   8.288  -1.303
  356    H    LYS  44           H        LYS  44  -5.462   8.608  -0.152
  357    HA   LYS  44           HA       LYS  44  -4.601  11.258  -0.661
  358   1HB   LYS  44           HB2      LYS  44  -2.340  10.185  -0.597
  359   2HB   LYS  44           HB3      LYS  44  -3.341   9.810   0.801
  360   1HG   LYS  44           HG2      LYS  44  -2.661   7.724   0.375
  361   2HG   LYS  44           HG3      LYS  44  -3.997   7.754  -0.771
  362   1HD   LYS  44           HD2      LYS  44  -1.622   8.862  -1.943
  363   2HD   LYS  44           HD3      LYS  44  -1.312   7.249  -1.306
  364   1HE   LYS  44           HE2      LYS  44  -3.468   8.044  -3.260
  365   2HE   LYS  44           HE3      LYS  44  -2.033   7.083  -3.607
  366   1HZ   LYS  44           HZ2      LYS  44  -4.094   6.232  -1.657
  367   2HZ   LYS  44           HZ1      LYS  44  -4.151   5.810  -3.294
  368   3HZ   LYS  44           HZ3      LYS  44  -2.856   5.301  -2.335
  369    H    ASP  45           H        ASP  45  -2.345  10.970  -2.219
  370    HA   ASP  45           HA       ASP  45  -3.453  10.469  -4.889
  371   1HB   ASP  45           HB2      ASP  45  -1.391  12.410  -3.864
  372   2HB   ASP  45           HB3      ASP  45  -1.524  12.019  -5.570
  373    H    VAL  46           H        VAL  46  -0.566  10.175  -2.874
  374    HA   VAL  46           HA       VAL  46   0.176   7.738  -4.280
  375    HB   VAL  46           HB       VAL  46   1.777  10.244  -4.337
  376   1HG1  VAL  46          3HG1      VAL  46   2.993   7.495  -4.092
  377   2HG1  VAL  46          2HG1      VAL  46   3.857   8.910  -4.691
  378   3HG1  VAL  46          1HG1      VAL  46   3.257   8.880  -3.034
  379   1HG2  VAL  46          1HG2      VAL  46   0.601   9.377  -6.303
  380   2HG2  VAL  46          3HG2      VAL  46   2.349   9.413  -6.544
  381   3HG2  VAL  46          2HG2      VAL  46   1.539   7.885  -6.191
  382    H    LEU  47           H        LEU  47   0.386   6.286  -2.801
  383    HA   LEU  47           HA       LEU  47   0.631   6.713  -0.057
  384   1HB   LEU  47           HB2      LEU  47   1.571   4.250  -1.516
  385   2HB   LEU  47           HB3      LEU  47   0.939   4.350   0.116
  386    HG   LEU  47           HG       LEU  47  -0.709   4.962  -2.338
  387   1HD1  LEU  47          3HD1      LEU  47   0.021   2.657  -2.448
  388   2HD1  LEU  47          2HD1      LEU  47  -0.537   2.384  -0.798
  389   3HD1  LEU  47          1HD1      LEU  47  -1.700   2.752  -2.072
  390   1HD2  LEU  47          3HD2      LEU  47  -1.477   5.925  -0.192
  391   2HD2  LEU  47          2HD2      LEU  47  -2.592   4.720  -0.834
  392   3HD2  LEU  47          1HD2      LEU  47  -1.513   4.304   0.496
  393    H    SER  48           H        SER  48   3.081   5.379  -2.248
  394    HA   SER  48           HA       SER  48   5.284   5.485  -0.611
  395   1HB   SER  48           HB2      SER  48   6.613   5.468  -2.641
  396   2HB   SER  48           HB3      SER  48   5.196   4.454  -2.872
  397    HG   SER  48           HG       SER  48   5.200   5.673  -4.651
  398    H    ASP  49           H        ASP  49   7.272   6.988  -1.147
  399    HA   ASP  49           HA       ASP  49   6.599   9.741  -1.668
  400   1HB   ASP  49           HB2      ASP  49   7.303   8.822   1.112
  401   2HB   ASP  49           HB3      ASP  49   7.593  10.475   0.578
  402    H    GLU  50           H        GLU  50   9.176   9.093   0.525
  403    HA   GLU  50           HA       GLU  50  11.124   9.175  -1.677
  404   1HB   GLU  50           HB2      GLU  50  12.495  10.691  -0.384
  405   2HB   GLU  50           HB3      GLU  50  10.879  11.367  -0.547
  406   1HG   GLU  50           HG2      GLU  50  10.323  10.644   1.701
  407   2HG   GLU  50           HG3      GLU  50  11.925   9.928   1.878
  408    H    ILE  51           H        ILE  51  10.293   8.103   1.539
  409    HA   ILE  51           HA       ILE  51  12.750   6.750   2.081
  410    HB   ILE  51           HB       ILE  51  10.051   6.209   3.314
  411   1HG1  ILE  51          2HG1      ILE  51  10.647   8.625   3.363
  412   2HG1  ILE  51          3HG1      ILE  51  10.553   7.895   4.958
  413   1HG2  ILE  51          2HG2      ILE  51  12.861   5.783   4.319
  414   2HG2  ILE  51          1HG2      ILE  51  11.394   5.522   5.262
  415   3HG2  ILE  51          3HG2      ILE  51  11.713   4.534   3.837
  416   1HD1  ILE  51          1HD1      ILE  51  13.107   8.391   3.446
  417   2HD1  ILE  51          3HD1      ILE  51  12.451   9.441   4.704
  418   3HD1  ILE  51          2HD1      ILE  51  12.956   7.799   5.102
  419    H    LEU  52           H        LEU  52   9.522   5.306   1.840
  420    HA   LEU  52           HA       LEU  52  10.739   2.982   0.505
  421   1HB   LEU  52           HB2      LEU  52   8.094   3.210   1.946
  422   2HB   LEU  52           HB3      LEU  52   8.727   1.753   1.209
  423    HG   LEU  52           HG       LEU  52  10.002   3.193   3.529
  424   1HD1  LEU  52          3HD1      LEU  52   8.338   0.682   3.474
  425   2HD1  LEU  52          2HD1      LEU  52   9.191   1.321   4.879
  426   3HD1  LEU  52          1HD1      LEU  52   7.861   2.233   4.166
  427   1HD2  LEU  52          2HD2      LEU  52  10.612   0.545   2.234
  428   2HD2  LEU  52          1HD2      LEU  52  11.629   1.986   2.217
  429   3HD2  LEU  52          3HD2      LEU  52  11.334   1.132   3.732
  430    H    GLU  53           H        GLU  53  10.472   2.917  -1.649
  431    HA   GLU  53           HA       GLU  53   8.508   4.434  -3.031
  432   1HB   GLU  53           HB2      GLU  53  10.675   2.589  -3.709
  433   2HB   GLU  53           HB3      GLU  53   9.295   2.446  -4.788
  434   1HG   GLU  53           HG2      GLU  53  10.183   5.181  -4.208
  435   2HG   GLU  53           HG3      GLU  53  11.312   4.180  -5.119
  436    H    VAL  54           H        VAL  54   6.673   3.654  -1.700
  437    HA   VAL  54           HA       VAL  54   5.803   0.942  -2.037
  438    HB   VAL  54           HB       VAL  54   3.897   3.003  -1.075
  439   1HG1  VAL  54          2HG1      VAL  54   4.641   0.187  -0.330
  440   2HG1  VAL  54          1HG1      VAL  54   3.487   1.158   0.583
  441   3HG1  VAL  54          3HG1      VAL  54   3.160   0.754  -1.102
  442   1HG2  VAL  54          1HG2      VAL  54   6.323   2.130   0.489
  443   2HG2  VAL  54          3HG2      VAL  54   5.935   3.768  -0.034
  444   3HG2  VAL  54          2HG2      VAL  54   4.925   2.965   1.166
  445    H    VAL  55           H        VAL  55   5.532   0.655  -4.241
  446    HA   VAL  55           HA       VAL  55   3.526   2.261  -5.601
  447    HB   VAL  55           HB       VAL  55   5.057  -0.106  -6.655
  448   1HG1  VAL  55          1HG1      VAL  55   2.987   0.465  -7.857
  449   2HG1  VAL  55          3HG1      VAL  55   3.600   2.100  -8.105
  450   3HG1  VAL  55          2HG1      VAL  55   4.426   0.729  -8.845
  451   1HG2  VAL  55          3HG2      VAL  55   6.621   1.637  -5.976
  452   2HG2  VAL  55          2HG2      VAL  55   6.550   1.523  -7.735
  453   3HG2  VAL  55          1HG2      VAL  55   5.711   2.831  -6.901
  454    H    CYS  56           H        CYS  56   1.644   1.662  -4.560
  455    HA   CYS  56           HA       CYS  56   0.895  -1.168  -4.843
  456   1HB   CYS  56           HB2      CYS  56   0.928  -0.691  -2.531
  457   2HB   CYS  56           HB3      CYS  56   0.131   0.858  -2.761
  458    HG   CYS  56           HG       CYS  56  -2.009  -0.253  -1.804
  459    H    LYS  57           H        LYS  57  -1.088  -1.707  -5.608
  460    HA   LYS  57           HA       LYS  57  -2.707   0.477  -6.713
  461   1HB   LYS  57           HB2      LYS  57  -2.024  -2.149  -8.025
  462   2HB   LYS  57           HB3      LYS  57  -3.202  -1.006  -8.646
  463   1HG   LYS  57           HG2      LYS  57  -1.555   0.594  -9.136
  464   2HG   LYS  57           HG3      LYS  57  -0.342  -0.238  -8.161
  465   1HD   LYS  57           HD2      LYS  57  -1.589  -1.493 -10.592
  466   2HD   LYS  57           HD3      LYS  57  -0.150  -0.475 -10.688
  467   1HE   LYS  57           HE2      LYS  57  -0.438  -3.004  -9.070
  468   2HE   LYS  57           HE3      LYS  57   0.457  -2.831 -10.579
  469   1HZ   LYS  57           HZ2      LYS  57   1.931  -1.262  -9.481
  470   2HZ   LYS  57           HZ1      LYS  57   1.073  -1.431  -8.034
  471   3HZ   LYS  57           HZ3      LYS  57   1.927  -2.746  -8.670
  472    H    TYR  58           H        TYR  58  -4.707   0.448  -6.078
  473    HA   TYR  58           HA       TYR  58  -5.729  -1.791  -4.550
  474   1HB   TYR  58           HB2      TYR  58  -6.023   0.619  -3.837
  475   2HB   TYR  58           HB3      TYR  58  -7.110   0.826  -5.207
  476    HD1  TYR  58           HD1      TYR  58  -8.717  -1.613  -5.142
  477    HD2  TYR  58           HD2      TYR  58  -7.300   0.801  -1.911
  478    HE1  TYR  58           HE1      TYR  58 -10.594  -2.382  -3.774
  479    HE2  TYR  58           HE2      TYR  58  -9.209   0.040  -0.546
  480    HH   TYR  58           HH       TYR  58 -11.459  -0.882  -0.850
  481    H    THR  59           H        THR  59  -6.386  -3.442  -5.783
  482    HA   THR  59           HA       THR  59  -7.955  -2.880  -8.207
  483    HB   THR  59           HB       THR  59  -6.660  -5.485  -7.383
  484    HG1  THR  59           HG1      THR  59  -4.876  -4.641  -8.137
  485   1HG2  THR  59          2HG2      THR  59  -8.530  -5.748  -8.936
  486   2HG2  THR  59          1HG2      THR  59  -7.811  -4.560 -10.023
  487   3HG2  THR  59          3HG2      THR  59  -6.999  -6.100  -9.738
  488    HA   PRO  60           HA       PRO  60 -11.372  -4.782  -6.008
  489   1HB   PRO  60           HB2      PRO  60 -13.266  -3.716  -7.674
  490   2HB   PRO  60           HB3      PRO  60 -12.508  -2.829  -6.353
  491   1HG   PRO  60           HG2      PRO  60 -12.254  -2.375  -9.180
  492   2HG   PRO  60           HG3      PRO  60 -11.522  -1.461  -7.853
  493   1HD   PRO  60           HD2      PRO  60 -10.352  -3.583  -9.537
  494   2HD   PRO  60           HD3      PRO  60  -9.560  -2.279  -8.630
  495    H    THR  61           H        THR  61 -13.720  -5.363  -7.552
  496    HA   THR  61           HA       THR  61 -12.953  -7.908  -8.658
  497    HB   THR  61           HB       THR  61 -15.720  -7.010  -9.124
  498    HG1  THR  61           HG1      THR  61 -16.277  -6.814  -7.012
  499   1HG2  THR  61          2HG2      THR  61 -14.475  -9.396  -7.757
  500   2HG2  THR  61          1HG2      THR  61 -16.202  -9.190  -8.042
  501   3HG2  THR  61          3HG2      THR  61 -15.094  -9.328  -9.406
  502    HA   PRO  62           HA       PRO  62 -12.478  -6.677 -12.882
  503   1HB   PRO  62           HB2      PRO  62 -13.646  -9.306 -13.583
  504   2HB   PRO  62           HB3      PRO  62 -12.070  -8.628 -13.999
  505   1HG   PRO  62           HG2      PRO  62 -12.288 -10.576 -12.187
  506   2HG   PRO  62           HG3      PRO  62 -11.120  -9.257 -11.977
  507   1HD   PRO  62           HD2      PRO  62 -13.789  -9.645 -10.678
  508   2HD   PRO  62           HD3      PRO  62 -12.260  -9.080  -9.969
  509    H    SER  63           H        SER  63 -14.054  -5.085 -13.087
  510    HA   SER  63           HA       SER  63 -16.730  -5.986 -13.903
  511   1HB   SER  63           HB2      SER  63 -15.848  -3.277 -12.876
  512   2HB   SER  63           HB3      SER  63 -17.497  -3.732 -13.299
  513    HG   SER  63           HG       SER  63 -16.001  -5.145 -11.364
  514    H    SER  64           H        SER  64 -17.619  -3.722 -15.181
  515    HA   SER  64           HA       SER  64 -15.840  -3.577 -17.525
  516   1HB   SER  64           HB2      SER  64 -17.883  -4.831 -18.014
  517   2HB   SER  64           HB3      SER  64 -18.865  -3.481 -17.445
  518    HG   SER  64           HG       SER  64 -16.995  -2.928 -19.426
  519    H    THR  65           H        THR  65 -18.311  -1.796 -15.688
  520    HA   THR  65           HA       THR  65 -17.338   0.697 -16.862
  521    HB   THR  65           HB       THR  65 -19.803   0.249 -15.180
  522    HG1  THR  65           HG1      THR  65 -20.754  -0.217 -17.010
  523   1HG2  THR  65          1HG2      THR  65 -18.897   2.660 -16.759
  524   2HG2  THR  65          3HG2      THR  65 -20.449   2.494 -15.935
  525   3HG2  THR  65          2HG2      THR  65 -18.954   2.533 -15.000
  526    HA   PRO  66           HA       PRO  66 -16.995   1.541 -12.106
  527   1HB   PRO  66           HB2      PRO  66 -17.015  -1.124 -10.881
  528   2HB   PRO  66           HB3      PRO  66 -17.965   0.304 -10.464
  529   1HG   PRO  66           HG2      PRO  66 -19.082  -1.857 -11.615
  530   2HG   PRO  66           HG3      PRO  66 -19.644  -0.211 -11.962
  531   1HD   PRO  66           HD2      PRO  66 -17.831  -1.972 -13.579
  532   2HD   PRO  66           HD3      PRO  66 -19.178  -0.954 -14.127
  533    H    MET  67           H        MET  67 -15.070   1.678 -10.945
  534    HA   MET  67           HA       MET  67 -13.017  -0.327 -11.236
  535   1HB   MET  67           HB2      MET  67 -12.909   1.044 -13.353
  536   2HB   MET  67           HB3      MET  67 -12.511   2.436 -12.356
  537   1HG   MET  67           HG2      MET  67 -10.511   1.280 -11.556
  538   2HG   MET  67           HG3      MET  67 -10.901  -0.095 -12.585
  539   1HE   MET  67           HE1      MET  67  -9.850   3.680 -12.478
  540   2HE   MET  67           HE3      MET  67  -9.803   4.090 -14.192
  541   3HE   MET  67           HE2      MET  67 -11.344   3.733 -13.413
  542    H    VAL  68           H        VAL  68 -14.624   1.326  -9.265
  543    HA   VAL  68           HA       VAL  68 -12.357   2.094  -7.568
  544    HB   VAL  68           HB       VAL  68 -14.852   3.718  -8.056
  545   1HG1  VAL  68          3HG1      VAL  68 -12.731   4.086  -5.938
  546   2HG1  VAL  68          2HG1      VAL  68 -13.980   5.266  -6.333
  547   3HG1  VAL  68          1HG1      VAL  68 -14.429   3.695  -5.669
  548   1HG2  VAL  68          3HG2      VAL  68 -11.924   4.356  -8.396
  549   2HG2  VAL  68          2HG2      VAL  68 -13.092   4.070  -9.686
  550   3HG2  VAL  68          1HG2      VAL  68 -13.253   5.487  -8.649
  551    H    GLY  69           H        GLY  69 -12.459   0.525  -6.058
  552   1HA   GLY  69           HA3      GLY  69 -14.394   0.539  -4.052
  553   2HA   GLY  69           HA2      GLY  69 -13.261  -0.773  -4.342
  554    H    VAL  70           H        VAL  70 -13.878  -2.473  -5.791
  555    HA   VAL  70           HA       VAL  70 -16.794  -2.740  -6.030
  556    HB   VAL  70           HB       VAL  70 -15.002  -4.129  -7.973
  557   1HG1  VAL  70          1HG1      VAL  70 -17.805  -3.029  -8.145
  558   2HG1  VAL  70          3HG1      VAL  70 -16.966  -3.905  -9.427
  559   3HG1  VAL  70          2HG1      VAL  70 -17.357  -4.719  -7.911
  560   1HG2  VAL  70          1HG2      VAL  70 -15.847  -1.241  -8.150
  561   2HG2  VAL  70          3HG2      VAL  70 -14.202  -1.885  -8.171
  562   3HG2  VAL  70          2HG2      VAL  70 -15.288  -2.189  -9.528
  563    H    GLY  71           H        GLY  71 -13.804  -4.131  -5.132
  564   1HA   GLY  71           HA3      GLY  71 -15.159  -6.670  -4.467
  565   2HA   GLY  71           HA2      GLY  71 -14.093  -5.860  -3.336
  566    H    GLY  72           H        GLY  72 -11.837  -5.775  -3.804
  567   1HA   GLY  72           HA3      GLY  72 -10.283  -6.562  -5.771
  568   2HA   GLY  72           HA2      GLY  72 -10.959  -8.118  -5.324
  569    H    ILE  73           H        ILE  73  -8.247  -6.482  -5.053
  570    HA   ILE  73           HA       ILE  73  -7.784  -7.091  -2.227
  571    HB   ILE  73           HB       ILE  73  -5.585  -8.042  -2.760
  572   1HG1  ILE  73          2HG1      ILE  73  -6.391  -8.522  -5.581
  573   2HG1  ILE  73          3HG1      ILE  73  -5.707  -6.952  -5.157
  574   1HG2  ILE  73          2HG2      ILE  73  -7.572  -9.456  -2.343
  575   2HG2  ILE  73          1HG2      ILE  73  -7.768  -9.606  -4.090
  576   3HG2  ILE  73          3HG2      ILE  73  -6.312 -10.228  -3.307
  577   1HD1  ILE  73          1HD1      ILE  73  -3.748  -8.107  -4.201
  578   2HD1  ILE  73          3HD1      ILE  73  -4.422  -9.641  -4.752
  579   3HD1  ILE  73          2HD1      ILE  73  -3.960  -8.410  -5.928
  580    H    TYR  74           H        TYR  74  -5.120  -6.544  -2.104
  581    HA   TYR  74           HA       TYR  74  -4.763  -3.850  -3.191
  582   1HB   TYR  74           HB2      TYR  74  -4.014  -4.338  -0.336
  583   2HB   TYR  74           HB3      TYR  74  -4.489  -2.837  -1.128
  584    HD1  TYR  74           HD1      TYR  74  -5.782  -6.015   0.266
  585    HD2  TYR  74           HD2      TYR  74  -6.759  -2.117  -1.118
  586    HE1  TYR  74           HE1      TYR  74  -8.049  -6.277   1.163
  587    HE2  TYR  74           HE2      TYR  74  -9.034  -2.377  -0.214
  588    HH   TYR  74           HH       TYR  74 -10.589  -4.179   0.376
  589    H    VAL  75           H        VAL  75  -3.049  -4.410  -4.507
  590    HA   VAL  75           HA       VAL  75  -0.914  -6.058  -3.413
  591    HB   VAL  75           HB       VAL  75  -1.651  -6.537  -5.699
  592   1HG1  VAL  75          3HG1      VAL  75  -2.264  -4.228  -6.330
  593   2HG1  VAL  75          2HG1      VAL  75  -0.546  -3.834  -6.432
  594   3HG1  VAL  75          1HG1      VAL  75  -1.244  -5.027  -7.527
  595   1HG2  VAL  75          3HG2      VAL  75   0.633  -7.068  -5.056
  596   2HG2  VAL  75          2HG2      VAL  75   0.558  -6.597  -6.754
  597   3HG2  VAL  75          1HG2      VAL  75   1.161  -5.459  -5.549
  598    H    VAL  76           H        VAL  76   0.596  -5.151  -2.280
  599    HA   VAL  76           HA       VAL  76   1.342  -2.357  -2.813
  600    HB   VAL  76           HB       VAL  76   1.959  -3.968  -0.345
  601   1HG1  VAL  76          1HG1      VAL  76   2.018  -1.007  -0.893
  602   2HG1  VAL  76          3HG1      VAL  76   2.332  -1.767   0.668
  603   3HG1  VAL  76          2HG1      VAL  76   3.416  -2.064  -0.691
  604   1HG2  VAL  76          2HG2      VAL  76  -0.455  -3.816  -0.618
  605   2HG2  VAL  76          1HG2      VAL  76   0.090  -2.811   0.726
  606   3HG2  VAL  76          3HG2      VAL  76  -0.332  -2.068  -0.817
  607    H    LEU  77           H        LEU  77   3.271  -1.898  -3.675
  608    HA   LEU  77           HA       LEU  77   5.403  -3.923  -3.498
  609   1HB   LEU  77           HB2      LEU  77   4.918  -1.795  -5.582
  610   2HB   LEU  77           HB3      LEU  77   6.360  -2.786  -5.513
  611    HG   LEU  77           HG       LEU  77   3.532  -3.737  -6.016
  612   1HD1  LEU  77          1HD1      LEU  77   5.974  -3.669  -7.783
  613   2HD1  LEU  77          3HD1      LEU  77   4.412  -4.368  -8.211
  614   3HD1  LEU  77          2HD1      LEU  77   4.554  -2.633  -7.927
  615   1HD2  LEU  77          1HD2      LEU  77   5.163  -5.236  -4.643
  616   2HD2  LEU  77          3HD2      LEU  77   4.243  -5.924  -5.982
  617   3HD2  LEU  77          2HD2      LEU  77   5.937  -5.491  -6.209
  618    H    VAL  78           H        VAL  78   6.298  -3.227  -1.572
  619    HA   VAL  78           HA       VAL  78   7.029  -0.407  -1.350
  620    HB   VAL  78           HB       VAL  78   7.951  -2.145   0.812
  621   1HG1  VAL  78          2HG1      VAL  78   7.847   0.349   0.847
  622   2HG1  VAL  78          1HG1      VAL  78   6.085   0.239   0.816
  623   3HG1  VAL  78          3HG1      VAL  78   6.990  -0.411   2.186
  624   1HG2  VAL  78          1HG2      VAL  78   4.994  -1.957   0.251
  625   2HG2  VAL  78          3HG2      VAL  78   5.971  -3.424   0.230
  626   3HG2  VAL  78          2HG2      VAL  78   5.712  -2.557   1.744
  627    H    LYS  79           H        LYS  79   8.769   0.121  -2.456
  628    HA   LYS  79           HA       LYS  79  11.114  -1.649  -2.408
  629   1HB   LYS  79           HB2      LYS  79  10.099   0.401  -4.336
  630   2HB   LYS  79           HB3      LYS  79  11.821   0.058  -4.284
  631   1HG   LYS  79           HG2      LYS  79  11.365  -2.300  -4.735
  632   2HG   LYS  79           HG3      LYS  79   9.628  -1.950  -4.806
  633   1HD   LYS  79           HD2      LYS  79  11.717  -0.717  -6.607
  634   2HD   LYS  79           HD3      LYS  79  10.699  -2.090  -7.040
  635   1HE   LYS  79           HE2      LYS  79   8.703  -0.705  -6.732
  636   2HE   LYS  79           HE3      LYS  79   9.725   0.669  -6.308
  637   1HZ   LYS  79           HZ2      LYS  79  10.704   0.572  -8.518
  638   2HZ   LYS  79           HZ1      LYS  79   9.714  -0.737  -8.924
  639   3HZ   LYS  79           HZ3      LYS  79   9.028   0.778  -8.611
  640    HA   PRO  80           HA       PRO  80  12.410   1.460   0.706
  641   1HB   PRO  80           HB2      PRO  80  14.843   0.095   1.045
  642   2HB   PRO  80           HB3      PRO  80  13.410  -0.033   2.065
  643   1HG   PRO  80           HG2      PRO  80  14.352  -1.819  -0.113
  644   2HG   PRO  80           HG3      PRO  80  13.462  -2.218   1.366
  645   1HD   PRO  80           HD2      PRO  80  12.263  -2.174  -1.041
  646   2HD   PRO  80           HD3      PRO  80  11.415  -1.666   0.436
  647    H    ARG  81           H        ARG  81  12.826   3.228  -0.494
  648    HA   ARG  81           HA       ARG  81  14.718   3.367  -2.593
  649   1HB   ARG  81           HB2      ARG  81  12.891   5.175  -1.237
  650   2HB   ARG  81           HB3      ARG  81  14.409   5.961  -1.647
  651   1HG   ARG  81           HG2      ARG  81  14.133   5.460  -3.957
  652   2HG   ARG  81           HG3      ARG  81  12.745   4.423  -3.622
  653   1HD   ARG  81           HD2      ARG  81  11.429   6.287  -2.927
  654   2HD   ARG  81           HD3      ARG  81  12.824   7.367  -2.993
  655    HE   ARG  81           HE       ARG  81  12.243   6.130  -5.512
  656   1HH1  ARG  81          1HH1      ARG  81  11.423   8.771  -3.391
  657   2HH1  ARG  81          2HH1      ARG  81  10.841   9.786  -4.669
  658   1HH2  ARG  81          1HH2      ARG  81  11.480   7.459  -7.200
  659   2HH2  ARG  81          2HH2      ARG  81  10.873   9.039  -6.834
  660    H    LYS  82           H        LYS  82  14.868   4.015   0.848
  661    HA   LYS  82           HA       LYS  82  17.742   4.603   0.575
  662   1HB   LYS  82           HB2      LYS  82  15.972   5.470   2.859
  663   2HB   LYS  82           HB3      LYS  82  17.609   6.004   2.509
  664   1HG   LYS  82           HG2      LYS  82  16.814   7.111   0.479
  665   2HG   LYS  82           HG3      LYS  82  15.170   6.576   0.838
  666   1HD   LYS  82           HD2      LYS  82  15.258   7.830   2.961
  667   2HD   LYS  82           HD3      LYS  82  16.862   8.422   2.519
  668   1HE   LYS  82           HE2      LYS  82  14.312   8.899   0.976
  669   2HE   LYS  82           HE3      LYS  82  15.126  10.070   2.013
  670   1HZ   LYS  82           HZ3      LYS  82  17.047   9.976   0.547
  671   2HZ   LYS  82           HZ2      LYS  82  16.260   8.859  -0.450
  672   3HZ   LYS  82           HZ1      LYS  82  15.661  10.434  -0.309
  673    H    ARG  83           H        ARG  83  18.808   4.209   2.888
  674    HA   ARG  83           HA       ARG  83  18.005   1.499   3.728
  675   1HB   ARG  83           HB2      ARG  83  20.792   2.659   3.758
  676   2HB   ARG  83           HB3      ARG  83  20.337   1.005   4.138
  677   1HG   ARG  83           HG2      ARG  83  19.789   0.538   1.886
  678   2HG   ARG  83           HG3      ARG  83  19.872   2.243   1.442
  679   1HD   ARG  83           HD2      ARG  83  21.853   1.011   0.694
  680   2HD   ARG  83           HD3      ARG  83  22.259   2.266   1.865
  681    HE   ARG  83           HE       ARG  83  21.849  -0.248   3.129
  682   1HH1  ARG  83          1HH1      ARG  83  24.152   1.593   1.274
  683   2HH1  ARG  83          2HH1      ARG  83  25.528   0.756   1.911
  684   1HH2  ARG  83          1HH2      ARG  83  23.655  -1.356   3.974
  685   2HH2  ARG  83          2HH2      ARG  83  25.245  -0.920   3.445
  686    H    GLY  84           H        GLY  84  18.094   0.984   5.922
  687   1HA   GLY  84           HA3      GLY  84  18.023   3.324   7.688
  688   2HA   GLY  84           HA2      GLY  84  19.138   2.027   8.087
  689    H    HIS  85           H        HIS  85  16.841   3.076   9.578
  690    HA   HIS  85           HA       HIS  85  15.554   0.516  10.108
  691   1HB   HIS  85           HB2      HIS  85  16.571   2.016  11.906
  692   2HB   HIS  85           HB3      HIS  85  15.194   3.083  11.646
  693    HD1  HIS  85           HD1      HIS  85  13.072   2.514  12.847
  694    HD2  HIS  85           HD2      HIS  85  15.821  -0.602  12.911
  695    HE1  HIS  85           HE1      HIS  85  12.104   0.796  14.410
  696    HE2  HIS  85           HE2      HIS  85  13.822  -1.046  14.493
  697    H    HIS  86           H        HIS  86  14.892   2.126   7.740
  698    HA   HIS  86           HA       HIS  86  12.579   3.578   7.836
  699   1HB   HIS  86           HB2      HIS  86  13.248   1.500   5.741
  700   2HB   HIS  86           HB3      HIS  86  12.163   2.875   5.539
  701    HD1  HIS  86           HD1      HIS  86  13.651   5.239   6.376
  702    HD2  HIS  86           HD2      HIS  86  15.566   2.070   4.492
  703    HE1  HIS  86           HE1      HIS  86  15.772   6.203   5.430
  704    HE2  HIS  86           HE2      HIS  86  16.953   4.249   4.366
  705    H    THR  87           H        THR  87  10.338   3.024   7.379
  706    HA   THR  87           HA       THR  87   9.474   0.312   7.858
  707    HB   THR  87           HB       THR  87   8.929   2.476   9.892
  708    HG1  THR  87           HG1      THR  87  10.223   1.320  11.144
  709   1HG2  THR  87          1HG2      THR  87   7.669  -0.257   9.628
  710   2HG2  THR  87          3HG2      THR  87   7.509   0.800  11.029
  711   3HG2  THR  87          2HG2      THR  87   6.852   1.298   9.470
  712    H    LEU  88           H        LEU  88   7.330  -0.065   7.329
  713    HA   LEU  88           HA       LEU  88   5.972   2.153   5.951
  714   1HB   LEU  88           HB2      LEU  88   6.643   0.015   4.693
  715   2HB   LEU  88           HB3      LEU  88   5.382  -0.770   5.613
  716    HG   LEU  88           HG       LEU  88   3.745   0.856   4.667
  717   1HD1  LEU  88          1HD1      LEU  88   5.316   2.634   4.115
  718   2HD1  LEU  88          3HD1      LEU  88   6.069   1.601   2.901
  719   3HD1  LEU  88          2HD1      LEU  88   4.401   2.131   2.695
  720   1HD2  LEU  88          3HD2      LEU  88   5.292  -0.959   2.840
  721   2HD2  LEU  88          2HD2      LEU  88   3.794  -1.300   3.704
  722   3HD2  LEU  88          1HD2      LEU  88   3.796  -0.159   2.359
  723    H    GLU  89           H        GLU  89   3.534   1.992   6.008
  724    HA   GLU  89           HA       GLU  89   2.445   0.633   8.319
  725   1HB   GLU  89           HB2      GLU  89   2.674   3.618   8.126
  726   2HB   GLU  89           HB3      GLU  89   1.393   2.864   9.066
  727   1HG   GLU  89           HG2      GLU  89   3.154   1.604  10.291
  728   2HG   GLU  89           HG3      GLU  89   4.353   2.605   9.473
  729    H    LEU  90           H        LEU  90   0.616  -0.236   7.716
  730    HA   LEU  90           HA       LEU  90  -1.075   1.144   5.761
  731   1HB   LEU  90           HB2      LEU  90  -0.512  -1.762   6.227
  732   2HB   LEU  90           HB3      LEU  90  -1.993  -1.256   5.435
  733    HG   LEU  90           HG       LEU  90  -0.683  -0.137   3.705
  734   1HD1  LEU  90          2HD1      LEU  90   1.602  -1.000   5.397
  735   2HD1  LEU  90          1HD1      LEU  90   1.807  -0.837   3.652
  736   3HD1  LEU  90          3HD1      LEU  90   1.298   0.553   4.612
  737   1HD2  LEU  90          2HD2      LEU  90  -1.381  -2.445   3.359
  738   2HD2  LEU  90          1HD2      LEU  90   0.178  -2.137   2.596
  739   3HD2  LEU  90          3HD2      LEU  90   0.103  -3.013   4.124
  740    H    VAL  91           H        VAL  91  -3.421   0.700   5.996
  741    HA   VAL  91           HA       VAL  91  -4.345  -0.144   8.598
  742    HB   VAL  91           HB       VAL  91  -3.592   2.181   9.015
  743   1HG1  VAL  91          2HG1      VAL  91  -5.706   2.886   6.977
  744   2HG1  VAL  91          1HG1      VAL  91  -4.889   4.040   8.033
  745   3HG1  VAL  91          3HG1      VAL  91  -3.966   3.140   6.830
  746   1HG2  VAL  91          2HG2      VAL  91  -6.571   1.747   9.176
  747   2HG2  VAL  91          1HG2      VAL  91  -5.372   1.254  10.371
  748   3HG2  VAL  91          3HG2      VAL  91  -5.669   2.967  10.074
  749    H    TYR  92           H        TYR  92  -6.624  -0.276   8.769
  750    HA   TYR  92           HA       TYR  92  -8.009  -0.395   6.187
  751   1HB   TYR  92           HB2      TYR  92  -7.851  -2.341   7.961
  752   2HB   TYR  92           HB3      TYR  92  -9.149  -1.455   8.753
  753    HD1  TYR  92           HD1      TYR  92 -10.983  -2.876   8.500
  754    HD2  TYR  92           HD2      TYR  92  -8.604  -1.932   5.100
  755    HE1  TYR  92           HE1      TYR  92 -12.622  -3.995   7.049
  756    HE2  TYR  92           HE2      TYR  92 -10.240  -3.044   3.640
  757    HH   TYR  92           HH       TYR  92 -11.986  -4.773   3.813
  758    H    THR  93           H        THR  93  -8.449   1.830   5.981
  759    HA   THR  93           HA       THR  93 -10.163   3.032   8.059
  760    HB   THR  93           HB       THR  93  -8.190   4.328   7.757
  761    HG1  THR  93           HG1      THR  93  -9.476   6.094   6.274
  762   1HG2  THR  93          3HG2      THR  93  -7.525   3.408   5.576
  763   2HG2  THR  93          2HG2      THR  93  -8.803   4.342   4.801
  764   3HG2  THR  93          1HG2      THR  93  -7.461   5.171   5.591
  765    H    ARG  94           H        ARG  94 -11.660   4.776   7.174
  766    HA   ARG  94           HA       ARG  94 -13.101   3.684   4.855
  767   1HB   ARG  94           HB2      ARG  94 -14.097   5.537   7.029
  768   2HB   ARG  94           HB3      ARG  94 -15.065   4.873   5.721
  769   1HG   ARG  94           HG2      ARG  94 -14.690   2.619   6.590
  770   2HG   ARG  94           HG3      ARG  94 -13.739   3.297   7.913
  771   1HD   ARG  94           HD2      ARG  94 -16.007   2.816   8.644
  772   2HD   ARG  94           HD3      ARG  94 -15.693   4.550   8.679
  773    HE   ARG  94           HE       ARG  94 -16.835   3.976   6.215
  774   1HH1  ARG  94          1HH1      ARG  94 -17.718   3.826   9.582
  775   2HH1  ARG  94          2HH1      ARG  94 -19.405   4.080   9.283
  776   1HH2  ARG  94          1HH2      ARG  94 -19.054   4.310   5.812
  777   2HH2  ARG  94          2HH2      ARG  94 -20.165   4.354   7.141
  778    HA   PRO  95           HA       PRO  95 -11.094   7.360   2.921
  779   1HB   PRO  95           HB2      PRO  95 -12.601   6.066   0.686
  780   2HB   PRO  95           HB3      PRO  95 -10.973   6.753   0.693
  781   1HG   PRO  95           HG2      PRO  95 -11.305   4.121   0.783
  782   2HG   PRO  95           HG3      PRO  95 -10.056   4.902   1.774
  783   1HD   PRO  95           HD2      PRO  95 -12.705   3.795   2.585
  784   2HD   PRO  95           HD3      PRO  95 -11.168   3.817   3.470
  785    H    PHE  96           H        PHE  96 -14.412   6.221   2.812
  786    HA   PHE  96           HA       PHE  96 -15.519   8.610   1.751
  787   1HB   PHE  96           HB2      PHE  96 -16.763   6.290   3.230
  788   2HB   PHE  96           HB3      PHE  96 -17.660   7.562   2.423
  789    HD1  PHE  96           HD1      PHE  96 -15.288   4.793   1.860
  790    HD2  PHE  96           HD2      PHE  96 -18.091   7.479   0.115
  791    HE1  PHE  96           HE1      PHE  96 -15.189   3.521  -0.243
  792    HE2  PHE  96           HE2      PHE  96 -18.001   6.210  -1.991
  793    HZ   PHE  96           HZ       PHE  96 -16.548   4.229  -2.172
  794    H    GLU  97           H        GLU  97 -14.926   7.352   4.982
  795    HA   GLU  97           HA       GLU  97 -16.081   9.807   6.125
  796   1HB   GLU  97           HB2      GLU  97 -15.504   7.183   7.513
  797   2HB   GLU  97           HB3      GLU  97 -16.289   8.584   8.227
  798   1HG   GLU  97           HG2      GLU  97 -17.363   6.928   5.955
  799   2HG   GLU  97           HG3      GLU  97 -17.898   6.861   7.633
  800    H    GLY  98           H        GLY  98 -13.688   7.511   7.385
  801   1HA   GLY  98           HA3      GLY  98 -12.140   9.526   8.629
  802   2HA   GLY  98           HA2      GLY  98 -11.387   9.069   7.106
  803    H    ILE  99           H        ILE  99  -9.885   8.668   9.183
  804    HA   ILE  99           HA       ILE  99  -9.839   5.757   9.411
  805    HB   ILE  99           HB       ILE  99  -7.660   7.587  10.345
  806   1HG1  ILE  99          2HG1      ILE  99  -7.819   6.512   7.536
  807   2HG1  ILE  99          3HG1      ILE  99  -8.452   8.104   7.947
  808   1HG2  ILE  99          3HG2      ILE  99  -7.936   4.718   9.567
  809   2HG2  ILE  99          2HG2      ILE  99  -6.370   5.515   9.397
  810   3HG2  ILE  99          1HG2      ILE  99  -7.150   5.429  10.977
  811   1HD1  ILE  99          2HD1      ILE  99  -5.606   7.185   8.311
  812   2HD1  ILE  99          1HD1      ILE  99  -6.203   8.230   7.022
  813   3HD1  ILE  99          3HD1      ILE  99  -6.236   8.787   8.695
  814    H    LYS 100           H        LYS 100  -9.627   4.689  11.387
  815    HA   LYS 100           HA       LYS 100 -10.032   6.295  13.812
  816   1HB   LYS 100           HB2      LYS 100 -11.563   3.745  13.494
  817   2HB   LYS 100           HB3      LYS 100 -11.931   5.154  14.482
  818   1HG   LYS 100           HG2      LYS 100 -12.510   6.413  12.465
  819   2HG   LYS 100           HG3      LYS 100 -12.178   4.981  11.489
  820   1HD   LYS 100           HD2      LYS 100 -14.178   4.106  11.939
  821   2HD   LYS 100           HD3      LYS 100 -13.991   4.396  13.671
  822   1HE   LYS 100           HE2      LYS 100 -14.656   6.733  13.337
  823   2HE   LYS 100           HE3      LYS 100 -14.886   6.415  11.616
  824   1HZ   LYS 100           HZ3      LYS 100 -16.603   4.808  12.182
  825   2HZ   LYS 100           HZ2      LYS 100 -16.385   5.119  13.831
  826   3HZ   LYS 100           HZ1      LYS 100 -16.979   6.333  12.813
  827    HA   PRO 101           HA       PRO 101  -7.026   3.724  15.741
  828   1HB   PRO 101           HB2      PRO 101  -8.823   3.442  18.077
  829   2HB   PRO 101           HB3      PRO 101  -7.196   4.119  17.984
  830   1HG   PRO 101           HG2      PRO 101  -9.322   5.702  18.292
  831   2HG   PRO 101           HG3      PRO 101  -7.957   6.192  17.274
  832   1HD   PRO 101           HD2      PRO 101 -10.627   5.099  16.472
  833   2HD   PRO 101           HD3      PRO 101  -9.681   6.412  15.739
  834    H    GLU 102           H        GLU 102 -10.329   2.563  16.411
  835    HA   GLU 102           HA       GLU 102  -9.670  -0.098  16.928
  836   1HB   GLU 102           HB2      GLU 102 -12.058  -0.572  16.415
  837   2HB   GLU 102           HB3      GLU 102 -11.814   0.744  17.559
  838   1HG   GLU 102           HG2      GLU 102 -12.141   2.359  15.779
  839   2HG   GLU 102           HG3      GLU 102 -12.372   1.048  14.626
  840    H    ASN 103           H        ASN 103  -9.527   1.572  14.002
  841    HA   ASN 103           HA       ASN 103 -10.275  -0.435  12.172
  842   1HB   ASN 103           HB2      ASN 103  -8.438   1.942  11.935
  843   2HB   ASN 103           HB3      ASN 103  -8.795   0.883  10.577
  844   1HD2  ASN 103          1HD2      ASN 103 -11.242   1.431  12.943
  845   2HD2  ASN 103          2HD2      ASN 103 -12.227   2.480  11.990
  846    H    GLU 104           H        GLU 104  -9.022  -1.859  10.933
  847    HA   GLU 104           HA       GLU 104  -7.086  -3.324  12.289
  848   1HB   GLU 104           HB2      GLU 104  -8.562  -3.702  10.042
  849   2HB   GLU 104           HB3      GLU 104  -6.977  -3.418   9.339
  850   1HG   GLU 104           HG2      GLU 104  -6.042  -5.265  10.436
  851   2HG   GLU 104           HG3      GLU 104  -7.419  -5.421  11.525
  852    H    ARG 105           H        ARG 105  -4.832  -3.733  11.533
  853    HA   ARG 105           HA       ARG 105  -3.512  -1.339  10.457
  854   1HB   ARG 105           HB2      ARG 105  -3.377  -1.157  12.890
  855   2HB   ARG 105           HB3      ARG 105  -2.734  -2.786  13.000
  856   1HG   ARG 105           HG2      ARG 105  -0.763  -1.698  13.134
  857   2HG   ARG 105           HG3      ARG 105  -0.903  -1.696  11.375
  858   1HD   ARG 105           HD2      ARG 105  -0.382   0.521  11.970
  859   2HD   ARG 105           HD3      ARG 105  -2.106   0.514  11.590
  860    HE   ARG 105           HE       ARG 105  -1.702   0.066  14.352
  861   1HH1  ARG 105          1HH1      ARG 105  -1.575   2.582  11.943
  862   2HH1  ARG 105          2HH1      ARG 105  -1.920   3.854  13.067
  863   1HH2  ARG 105          1HH2      ARG 105  -2.159   1.735  15.838
  864   2HH2  ARG 105          2HH2      ARG 105  -2.252   3.373  15.281
  865    H    TYR 106           H        TYR 106  -1.297  -1.750   9.749
  866    HA   TYR 106           HA       TYR 106  -0.249  -4.390   9.662
  867   1HB   TYR 106           HB2      TYR 106  -1.931  -4.613   7.899
  868   2HB   TYR 106           HB3      TYR 106  -1.219  -3.243   7.042
  869    HD1  TYR 106           HD1      TYR 106  -0.885  -6.774   7.889
  870    HD2  TYR 106           HD2      TYR 106   0.971  -3.481   5.934
  871    HE1  TYR 106           HE1      TYR 106   0.657  -8.320   6.761
  872    HE2  TYR 106           HE2      TYR 106   2.520  -5.018   4.801
  873    HH   TYR 106           HH       TYR 106   3.439  -7.280   5.130
  874    H    THR 107           H        THR 107   1.427  -3.273  10.664
  875    HA   THR 107           HA       THR 107   2.838  -1.229   9.150
  876    HB   THR 107           HB       THR 107   3.596  -2.457  11.809
  877    HG1  THR 107           HG1      THR 107   2.603  -0.479  12.628
  878   1HG2  THR 107          1HG2      THR 107   5.408  -1.271  10.635
  879   2HG2  THR 107          3HG2      THR 107   4.387   0.164  10.534
  880   3HG2  THR 107          2HG2      THR 107   4.915  -0.433  12.106
  881    H    LEU 108           H        LEU 108   4.692  -1.552   8.034
  882    HA   LEU 108           HA       LEU 108   5.841  -4.266   8.143
  883   1HB   LEU 108           HB2      LEU 108   4.639  -3.758   6.027
  884   2HB   LEU 108           HB3      LEU 108   5.754  -2.448   5.742
  885    HG   LEU 108           HG       LEU 108   7.618  -4.065   5.647
  886   1HD1  LEU 108          2HD1      LEU 108   6.656  -5.799   7.068
  887   2HD1  LEU 108          1HD1      LEU 108   5.432  -6.131   5.842
  888   3HD1  LEU 108          3HD1      LEU 108   7.132  -6.449   5.498
  889   1HD2  LEU 108          2HD2      LEU 108   6.475  -3.334   3.607
  890   2HD2  LEU 108          1HD2      LEU 108   7.058  -4.993   3.474
  891   3HD2  LEU 108          3HD2      LEU 108   5.347  -4.682   3.763
  892    H    HIS 109           H        HIS 109   7.279  -3.503   9.788
  893    HA   HIS 109           HA       HIS 109   9.106  -1.382   9.353
  894   1HB   HIS 109           HB2      HIS 109   8.930  -3.635  11.285
  895   2HB   HIS 109           HB3      HIS 109  10.437  -2.755  11.152
  896    HD1  HIS 109           HD1      HIS 109  10.554  -0.510  12.306
  897    HD2  HIS 109           HD2      HIS 109   6.708  -2.088  12.198
  898    HE1  HIS 109           HE1      HIS 109   9.179   0.974  13.799
  899    HE2  HIS 109           HE2      HIS 109   6.876  -0.047  13.784
  900    H    LEU 110           H        LEU 110  11.245  -1.424   8.717
  901    HA   LEU 110           HA       LEU 110  12.292  -3.875   7.552
  902   1HB   LEU 110           HB2      LEU 110  11.876  -1.314   6.019
  903   2HB   LEU 110           HB3      LEU 110  12.888  -2.629   5.457
  904    HG   LEU 110           HG       LEU 110   9.914  -2.814   5.974
  905   1HD1  LEU 110          3HD1      LEU 110  10.424  -1.408   4.049
  906   2HD1  LEU 110          2HD1      LEU 110  11.448  -2.680   3.382
  907   3HD1  LEU 110          1HD1      LEU 110   9.711  -2.940   3.544
  908   1HD2  LEU 110          3HD2      LEU 110  11.098  -4.929   6.335
  909   2HD2  LEU 110          2HD2      LEU 110  10.065  -4.991   4.907
  910   3HD2  LEU 110          1HD2      LEU 110  11.808  -4.799   4.726
  911    H    ASN 111           H        ASN 111  14.157  -4.057   8.631
  912    HA   ASN 111           HA       ASN 111  15.723  -1.726   9.326
  913   1HB   ASN 111           HB2      ASN 111  15.530  -3.708  10.841
  914   2HB   ASN 111           HB3      ASN 111  16.419  -4.656   9.653
  915   1HD2  ASN 111          1HD2      ASN 111  18.078  -5.076  11.101
  916   2HD2  ASN 111          2HD2      ASN 111  19.229  -3.872  11.557
  917    H    VAL 112           H        VAL 112  15.440  -1.658   6.723
  918    HA   VAL 112           HA       VAL 112  16.870  -2.971   4.885
  919    HB   VAL 112           HB       VAL 112  17.154   0.013   4.898
  920   1HG1  VAL 112          3HG1      VAL 112  18.041  -1.310   3.026
  921   2HG1  VAL 112          2HG1      VAL 112  16.424  -1.951   2.734
  922   3HG1  VAL 112          1HG1      VAL 112  16.739  -0.229   2.525
  923   1HG2  VAL 112          2HG2      VAL 112  14.583  -1.513   4.538
  924   2HG2  VAL 112          1HG2      VAL 112  14.925  -0.239   5.707
  925   3HG2  VAL 112          3HG2      VAL 112  14.825   0.143   3.989
  926    H    LYS 113           H        LYS 113  18.868  -3.777   4.957
  927    HA   LYS 113           HA       LYS 113  20.947  -2.788   6.581
  928   1HB   LYS 113           HB2      LYS 113  20.927  -4.701   4.252
  929   2HB   LYS 113           HB3      LYS 113  22.387  -4.322   5.153
  930   1HG   LYS 113           HG2      LYS 113  19.894  -5.432   6.414
  931   2HG   LYS 113           HG3      LYS 113  21.238  -6.423   5.843
  932   1HD   LYS 113           HD2      LYS 113  22.744  -5.132   7.354
  933   2HD   LYS 113           HD3      LYS 113  21.318  -4.316   7.999
  934   1HE   LYS 113           HE2      LYS 113  21.973  -6.153   9.444
  935   2HE   LYS 113           HE3      LYS 113  20.407  -6.475   8.704
  936   1HZ   LYS 113           HZ1      LYS 113  21.501  -7.898   7.088
  937   2HZ   LYS 113           HZ3      LYS 113  23.005  -7.591   7.800
  938   3HZ   LYS 113           HZ2      LYS 113  21.817  -8.430   8.662

  No H/Q in entry =         938
  Start of MODEL   10
    1    H1   GLY  -2           HT3      GLY  -2 -15.253 -18.199  -0.980
    2    H2   GLY  -2           HT2      GLY  -2 -14.265 -19.488  -0.507
    3    H3   GLY  -2           HT1      GLY  -2 -15.944 -19.610  -0.351
    4   1HA   GLY  -2           HA2      GLY  -2 -14.192 -17.735   1.142
    5   2HA   GLY  -2           HA3      GLY  -2 -14.910 -19.200   1.794
    6    H    SER  -1           H        SER  -1 -15.176 -16.220   2.380
    7    HA   SER  -1           HA       SER  -1 -18.028 -15.820   1.908
    8   1HB   SER  -1           HB2      SER  -1 -16.814 -15.891   4.682
    9   2HB   SER  -1           HB3      SER  -1 -18.465 -15.399   4.304
   10    HG   SER  -1           HG       SER  -1 -18.938 -17.432   4.444
   11    H    HIS   0           H        HIS   0 -18.722 -13.641   2.862
   12    HA   HIS   0           HA       HIS   0 -16.692 -11.684   2.107
   13   1HB   HIS   0           HB2      HIS   0 -19.658 -11.350   2.605
   14   2HB   HIS   0           HB3      HIS   0 -18.574 -10.085   2.036
   15    HD1  HIS   0           HD1      HIS   0 -20.671 -12.846   0.873
   16    HD2  HIS   0           HD2      HIS   0 -17.520 -10.587  -0.621
   17    HE1  HIS   0           HE1      HIS   0 -20.676 -13.247  -1.610
   18    HE2  HIS   0           HE2      HIS   0 -18.706 -11.938  -2.481
   19    H    MET   1           H        MET   1 -17.912 -13.082   4.889
   20    HA   MET   1           HA       MET   1 -17.561 -10.712   6.554
   21   1HB   MET   1           HB2      MET   1 -18.391 -13.528   7.282
   22   2HB   MET   1           HB3      MET   1 -18.343 -12.165   8.392
   23   1HG   MET   1           HG2      MET   1 -20.045 -11.022   7.069
   24   2HG   MET   1           HG3      MET   1 -20.092 -12.386   5.953
   25   1HE   MET   1           HE1      MET   1 -19.801 -14.855   7.939
   26   2HE   MET   1           HE3      MET   1 -21.495 -15.246   8.236
   27   3HE   MET   1           HE2      MET   1 -20.961 -14.810   6.612
   28    H    ILE   2           H        ILE   2 -15.723 -13.242   5.348
   29    HA   ILE   2           HA       ILE   2 -13.537 -13.806   5.640
   30    HB   ILE   2           HB       ILE   2 -13.484 -11.810   7.906
   31   1HG1  ILE   2          2HG1      ILE   2 -12.608 -11.479   5.026
   32   2HG1  ILE   2          3HG1      ILE   2 -14.098 -10.825   5.701
   33   1HG2  ILE   2          1HG2      ILE   2 -11.685 -13.442   8.035
   34   2HG2  ILE   2          3HG2      ILE   2 -11.249 -13.116   6.358
   35   3HG2  ILE   2          2HG2      ILE   2 -11.055 -11.859   7.580
   36   1HD1  ILE   2          2HD1      ILE   2 -12.788  -9.452   7.241
   37   2HD1  ILE   2          1HD1      ILE   2 -11.303 -10.097   6.542
   38   3HD1  ILE   2          3HD1      ILE   2 -12.390  -9.119   5.556
   39    H    ALA   3           H        ALA   3 -15.533 -13.578   8.533
   40    HA   ALA   3           HA       ALA   3 -15.805 -14.947  10.326
   41   1HB   ALA   3           HB3      ALA   3 -16.351 -16.571   8.580
   42   2HB   ALA   3           HB2      ALA   3 -14.652 -17.031   8.476
   43   3HB   ALA   3           HB1      ALA   3 -15.559 -17.341   9.956
   44    HA   PRO   4           HA       PRO   4 -11.520 -14.181  11.833
   45   1HB   PRO   4           HB2      PRO   4 -13.099 -14.299  14.358
   46   2HB   PRO   4           HB3      PRO   4 -11.868 -13.136  13.853
   47   1HG   PRO   4           HG2      PRO   4 -14.446 -12.482  13.813
   48   2HG   PRO   4           HG3      PRO   4 -13.354 -11.947  12.522
   49   1HD   PRO   4           HD2      PRO   4 -15.396 -14.127  12.499
   50   2HD   PRO   4           HD3      PRO   4 -14.932 -13.000  11.208
   51    H    LEU   5           H        LEU   5 -10.383 -16.025  11.693
   52    HA   LEU   5           HA       LEU   5 -10.905 -18.109  13.682
   53   1HB   LEU   5           HB2      LEU   5 -11.972 -18.863  11.612
   54   2HB   LEU   5           HB3      LEU   5 -10.471 -18.624  10.738
   55    HG   LEU   5           HG       LEU   5  -9.423 -20.383  12.170
   56   1HD1  LEU   5          2HD1      LEU   5 -10.919 -20.211  14.088
   57   2HD1  LEU   5          1HD1      LEU   5 -12.254 -20.816  13.109
   58   3HD1  LEU   5          3HD1      LEU   5 -10.876 -21.858  13.460
   59   1HD2  LEU   5          1HD2      LEU   5 -11.865 -21.219  10.612
   60   2HD2  LEU   5          3HD2      LEU   5 -10.262 -20.908   9.947
   61   3HD2  LEU   5          2HD2      LEU   5 -10.512 -22.262  11.048
   62    H    SER   6           H        SER   6  -8.713 -16.980  11.123
   63    HA   SER   6           HA       SER   6  -6.437 -18.132  12.541
   64   1HB   SER   6           HB2      SER   6  -6.549 -18.481  10.118
   65   2HB   SER   6           HB3      SER   6  -6.588 -16.737   9.857
   66    HG   SER   6           HG       SER   6  -4.466 -18.372  10.679
   67    H    VAL   7           H        VAL   7  -4.450 -16.773  12.738
   68    HA   VAL   7           HA       VAL   7  -4.998 -14.461  14.259
   69    HB   VAL   7           HB       VAL   7  -3.008 -15.843  14.643
   70   1HG1  VAL   7          3HG1      VAL   7  -2.476 -16.405  12.338
   71   2HG1  VAL   7          2HG1      VAL   7  -2.038 -14.727  12.014
   72   3HG1  VAL   7          1HG1      VAL   7  -1.078 -15.687  13.139
   73   1HG2  VAL   7          3HG2      VAL   7  -3.005 -13.543  15.438
   74   2HG2  VAL   7          2HG2      VAL   7  -1.385 -14.031  14.941
   75   3HG2  VAL   7          1HG2      VAL   7  -2.354 -12.995  13.894
   76    H    LYS   8           H        LYS   8  -4.547 -12.274  13.841
   77    HA   LYS   8           HA       LYS   8  -4.711 -11.554  11.011
   78   1HB   LYS   8           HB2      LYS   8  -5.451 -10.185  13.568
   79   2HB   LYS   8           HB3      LYS   8  -5.158  -9.243  12.121
   80   1HG   LYS   8           HG2      LYS   8  -7.532  -9.712  12.421
   81   2HG   LYS   8           HG3      LYS   8  -6.910 -10.458  10.947
   82   1HD   LYS   8           HD2      LYS   8  -6.697 -12.600  12.148
   83   2HD   LYS   8           HD3      LYS   8  -7.390 -11.843  13.585
   84   1HE   LYS   8           HE2      LYS   8  -8.751 -12.144  10.910
   85   2HE   LYS   8           HE3      LYS   8  -9.076 -13.108  12.350
   86   1HZ   LYS   8           HZ1      LYS   8  -9.488 -10.177  12.107
   87   2HZ   LYS   8           HZ3      LYS   8 -10.707 -11.351  12.075
   88   3HZ   LYS   8           HZ2      LYS   8  -9.805 -11.106  13.485
   89    H    ASP   9           H        ASP   9  -2.275 -12.432  12.137
   90    HA   ASP   9           HA       ASP   9  -0.393 -10.791  13.064
   91   1HB   ASP   9           HB2      ASP   9   0.024 -13.091  12.199
   92   2HB   ASP   9           HB3      ASP   9   0.027 -12.438  10.564
   93    H    ASN  10           H        ASN  10   0.241  -8.789  12.677
   94    HA   ASN  10           HA       ASN  10   0.017  -7.739   9.945
   95   1HB   ASN  10           HB2      ASN  10  -0.179  -5.488  11.332
   96   2HB   ASN  10           HB3      ASN  10  -1.588  -6.474  10.956
   97   1HD2  ASN  10          1HD2      ASN  10  -0.665  -4.606  13.208
   98   2HD2  ASN  10          2HD2      ASN  10  -1.085  -5.468  14.644
   99    H    ASP  11           H        ASP  11   1.304  -6.112  12.731
  100    HA   ASP  11           HA       ASP  11   3.488  -4.980  11.623
  101   1HB   ASP  11           HB2      ASP  11   3.525  -6.068  14.431
  102   2HB   ASP  11           HB3      ASP  11   4.331  -4.633  13.812
  103    H    LYS  12           H        LYS  12   4.709  -6.144  10.245
  104    HA   LYS  12           HA       LYS  12   6.032  -8.560  11.232
  105   1HB   LYS  12           HB2      LYS  12   5.034  -8.961   9.128
  106   2HB   LYS  12           HB3      LYS  12   5.594  -7.427   8.477
  107   1HG   LYS  12           HG2      LYS  12   7.840  -8.210   8.381
  108   2HG   LYS  12           HG3      LYS  12   7.417  -9.694   9.238
  109   1HD   LYS  12           HD2      LYS  12   6.085 -10.452   7.392
  110   2HD   LYS  12           HD3      LYS  12   6.273  -8.906   6.562
  111   1HE   LYS  12           HE2      LYS  12   8.669  -9.301   6.349
  112   2HE   LYS  12           HE3      LYS  12   8.500 -10.835   7.202
  113   1HZ   LYS  12           HZ2      LYS  12   7.078 -11.627   5.412
  114   2HZ   LYS  12           HZ1      LYS  12   7.253 -10.158   4.592
  115   3HZ   LYS  12           HZ3      LYS  12   8.593 -11.167   4.817
  116    H    TRP  13           H        TRP  13   7.636  -7.770  12.509
  117    HA   TRP  13           HA       TRP  13   9.380  -5.655  11.627
  118   1HB   TRP  13           HB2      TRP  13   9.821  -7.344  14.068
  119   2HB   TRP  13           HB3      TRP  13  10.187  -5.644  13.811
  120    HD1  TRP  13           HD1      TRP  13   7.120  -7.933  14.343
  121    HE1  TRP  13           HE1      TRP  13   5.237  -6.540  15.403
  122    HE3  TRP  13           HE3      TRP  13   9.387  -3.347  14.328
  123    HZ2  TRP  13           HZ2      TRP  13   4.754  -3.853  16.126
  124    HZ3  TRP  13           HZ3      TRP  13   8.150  -1.422  15.233
  125    HH2  TRP  13           HH2      TRP  13   5.889  -1.672  16.118
  126    H    VAL  14           H        VAL  14  10.760  -6.207  10.017
  127    HA   VAL  14           HA       VAL  14  12.685  -8.336  10.612
  128    HB   VAL  14           HB       VAL  14  12.480  -9.338   8.362
  129   1HG1  VAL  14          1HG1      VAL  14  11.414 -10.397  10.290
  130   2HG1  VAL  14          3HG1      VAL  14   9.948  -9.460   9.996
  131   3HG1  VAL  14          2HG1      VAL  14  10.482 -10.658   8.816
  132   1HG2  VAL  14          3HG2      VAL  14  11.417  -7.413   7.262
  133   2HG2  VAL  14          2HG2      VAL  14  10.534  -8.914   6.992
  134   3HG2  VAL  14          1HG2      VAL  14   9.935  -7.737   8.161
  135    H    ASP  15           H        ASP  15  14.059  -8.513   8.356
  136    HA   ASP  15           HA       ASP  15  15.083  -5.787   7.938
  137   1HB   ASP  15           HB2      ASP  15  16.345  -8.465   8.214
  138   2HB   ASP  15           HB3      ASP  15  17.127  -7.313   7.134
  139    H    THR  16           H        THR  16  16.467  -5.806   5.739
  140    HA   THR  16           HA       THR  16  15.554  -7.357   3.573
  141    HB   THR  16           HB       THR  16  13.480  -5.938   4.159
  142    HG1  THR  16           HG1      THR  16  13.432  -5.425   1.670
  143   1HG2  THR  16          1HG2      THR  16  14.706  -3.801   4.395
  144   2HG2  THR  16          3HG2      THR  16  15.072  -3.854   2.671
  145   3HG2  THR  16          2HG2      THR  16  13.400  -3.715   3.214
  146    H    HIS  17           H        HIS  17  15.803  -5.801   1.425
  147    HA   HIS  17           HA       HIS  17  18.381  -4.411   1.750
  148   1HB   HIS  17           HB2      HIS  17  17.500  -6.086  -0.612
  149   2HB   HIS  17           HB3      HIS  17  19.030  -5.228  -0.467
  150    HD1  HIS  17           HD1      HIS  17  17.308  -8.347   0.530
  151    HD2  HIS  17           HD2      HIS  17  20.873  -6.384   1.364
  152    HE1  HIS  17           HE1      HIS  17  18.760 -10.049   1.678
  153    HE2  HIS  17           HE2      HIS  17  20.944  -8.864   2.093
  154    H    VAL  18           H        VAL  18  18.762  -3.129  -0.498
  155    HA   VAL  18           HA       VAL  18  16.794  -1.082  -0.471
  156    HB   VAL  18           HB       VAL  18  19.136  -0.567  -0.900
  157   1HG1  VAL  18          2HG1      VAL  18  19.754  -2.564  -2.146
  158   2HG1  VAL  18          1HG1      VAL  18  18.746  -2.048  -3.499
  159   3HG1  VAL  18          3HG1      VAL  18  20.173  -1.110  -3.053
  160   1HG2  VAL  18          3HG2      VAL  18  17.422   0.970  -1.720
  161   2HG2  VAL  18          2HG2      VAL  18  18.830   0.961  -2.782
  162   3HG2  VAL  18          1HG2      VAL  18  17.366   0.097  -3.252
  163    H    GLY  19           H        GLY  19  15.169  -0.607  -1.787
  164   1HA   GLY  19           HA3      GLY  19  14.800  -1.396  -4.437
  165   2HA   GLY  19           HA2      GLY  19  13.537  -0.843  -3.360
  166    H    LYS  20           H        LYS  20  14.433  -3.321  -1.628
  167    HA   LYS  20           HA       LYS  20  13.765  -5.621  -3.052
  168   1HB   LYS  20           HB2      LYS  20  14.612  -5.183  -0.553
  169   2HB   LYS  20           HB3      LYS  20  12.914  -5.437  -0.211
  170   1HG   LYS  20           HG2      LYS  20  13.879  -7.537   0.027
  171   2HG   LYS  20           HG3      LYS  20  13.133  -7.576  -1.575
  172   1HD   LYS  20           HD2      LYS  20  15.189  -7.288  -2.657
  173   2HD   LYS  20           HD3      LYS  20  15.970  -6.746  -1.174
  174   1HE   LYS  20           HE2      LYS  20  15.765  -8.999  -0.240
  175   2HE   LYS  20           HE3      LYS  20  14.959  -9.539  -1.713
  176   1HZ   LYS  20           HZ3      LYS  20  17.744  -8.518  -1.544
  177   2HZ   LYS  20           HZ2      LYS  20  17.297 -10.141  -1.710
  178   3HZ   LYS  20           HZ1      LYS  20  16.970  -9.044  -2.955
  179    H    THR  21           H        THR  21  12.034  -5.060  -4.421
  180    HA   THR  21           HA       THR  21   9.595  -3.971  -3.651
  181    HB   THR  21           HB       THR  21   9.801  -6.039  -5.826
  182    HG1  THR  21           HG1      THR  21  10.902  -4.652  -7.053
  183   1HG2  THR  21          2HG2      THR  21   7.588  -5.109  -5.340
  184   2HG2  THR  21          1HG2      THR  21   8.220  -3.477  -5.554
  185   3HG2  THR  21          3HG2      THR  21   8.160  -4.587  -6.924
  186    H    THR  22           H        THR  22   8.535  -4.748  -1.930
  187    HA   THR  22           HA       THR  22   8.040  -7.637  -1.767
  188    HB   THR  22           HB       THR  22   7.695  -5.469   0.317
  189    HG1  THR  22           HG1      THR  22   9.354  -7.127   1.252
  190   1HG2  THR  22          3HG2      THR  22   5.999  -7.213   0.599
  191   2HG2  THR  22          2HG2      THR  22   7.257  -8.449   0.561
  192   3HG2  THR  22          1HG2      THR  22   7.203  -7.287   1.887
  193    H    GLU  23           H        GLU  23   6.346  -8.081  -3.021
  194    HA   GLU  23           HA       GLU  23   4.037  -6.388  -3.157
  195   1HB   GLU  23           HB2      GLU  23   4.911  -7.698  -5.084
  196   2HB   GLU  23           HB3      GLU  23   4.457  -9.172  -4.239
  197   1HG   GLU  23           HG2      GLU  23   2.156  -8.651  -4.368
  198   2HG   GLU  23           HG3      GLU  23   2.496  -7.003  -4.898
  199    H    ILE  24           H        ILE  24   2.153  -6.625  -2.112
  200    HA   ILE  24           HA       ILE  24   1.728  -9.059  -0.534
  201    HB   ILE  24           HB       ILE  24   1.270  -6.280   0.515
  202   1HG1  ILE  24          2HG1      ILE  24   3.434  -8.282   1.181
  203   2HG1  ILE  24          3HG1      ILE  24   3.664  -6.766   0.318
  204   1HG2  ILE  24          2HG2      ILE  24  -0.279  -7.972   1.375
  205   2HG2  ILE  24          1HG2      ILE  24   1.089  -8.966   1.876
  206   3HG2  ILE  24          3HG2      ILE  24   0.814  -7.396   2.634
  207   1HD1  ILE  24          3HD1      ILE  24   2.919  -5.559   2.342
  208   2HD1  ILE  24          2HD1      ILE  24   2.859  -7.104   3.191
  209   3HD1  ILE  24          1HD1      ILE  24   4.393  -6.497   2.572
  210    H    HIS  25           H        HIS  25   0.021  -9.883  -1.556
  211    HA   HIS  25           HA       HIS  25  -2.171  -8.213  -2.434
  212   1HB   HIS  25           HB2      HIS  25  -2.210 -11.214  -2.407
  213   2HB   HIS  25           HB3      HIS  25  -3.012 -10.114  -3.509
  214    HD1  HIS  25           HD1      HIS  25  -0.304 -12.376  -3.458
  215    HD2  HIS  25           HD2      HIS  25  -0.898  -8.607  -5.097
  216    HE1  HIS  25           HE1      HIS  25   1.424 -12.152  -5.269
  217    HE2  HIS  25           HE2      HIS  25   0.949  -9.923  -6.339
  218    H    LEU  26           H        LEU  26  -3.236  -7.417  -0.690
  219    HA   LEU  26           HA       LEU  26  -3.966  -9.187   1.508
  220   1HB   LEU  26           HB2      LEU  26  -4.587  -6.265   1.141
  221   2HB   LEU  26           HB3      LEU  26  -4.758  -7.188   2.618
  222    HG   LEU  26           HG       LEU  26  -2.080  -6.798   1.301
  223   1HD1  LEU  26          2HD1      LEU  26  -3.017  -4.587   1.717
  224   2HD1  LEU  26          1HD1      LEU  26  -3.375  -5.042   3.383
  225   3HD1  LEU  26          3HD1      LEU  26  -1.702  -4.935   2.838
  226   1HD2  LEU  26          3HD2      LEU  26  -2.393  -8.584   3.019
  227   2HD2  LEU  26          2HD2      LEU  26  -1.203  -7.358   3.452
  228   3HD2  LEU  26          1HD2      LEU  26  -2.811  -7.321   4.178
  229    H    LYS  27           H        LYS  27  -6.093  -9.659   2.065
  230    HA   LYS  27           HA       LYS  27  -7.956  -9.491  -0.166
  231   1HB   LYS  27           HB2      LYS  27  -8.434 -10.925   2.433
  232   2HB   LYS  27           HB3      LYS  27  -9.216 -11.197   0.886
  233   1HG   LYS  27           HG2      LYS  27  -7.779 -12.975   0.972
  234   2HG   LYS  27           HG3      LYS  27  -6.809 -11.797   0.083
  235   1HD   LYS  27           HD2      LYS  27  -5.642 -11.192   2.133
  236   2HD   LYS  27           HD3      LYS  27  -6.639 -12.320   3.052
  237   1HE   LYS  27           HE2      LYS  27  -5.741 -14.179   1.740
  238   2HE   LYS  27           HE3      LYS  27  -4.745 -13.050   0.823
  239   1HZ   LYS  27           HZ3      LYS  27  -3.600 -12.460   2.871
  240   2HZ   LYS  27           HZ2      LYS  27  -4.551 -13.554   3.743
  241   3HZ   LYS  27           HZ1      LYS  27  -3.474 -14.120   2.568
  242    H    GLY  28           H        GLY  28 -10.210  -8.965   0.242
  243   1HA   GLY  28           HA3      GLY  28 -10.374  -6.492   1.738
  244   2HA   GLY  28           HA2      GLY  28 -11.398  -7.779   2.346
  245    H    ASN  29           H        ASN  29 -12.250  -5.246   1.264
  246    HA   ASN  29           HA       ASN  29 -13.136  -5.507  -1.405
  247   1HB   ASN  29           HB2      ASN  29 -14.539  -7.282  -0.376
  248   2HB   ASN  29           HB3      ASN  29 -15.248  -6.068   0.685
  249   1HD2  ASN  29          1HD2      ASN  29 -16.611  -4.491  -0.195
  250   2HD2  ASN  29          2HD2      ASN  29 -17.362  -4.702  -1.737
  251    HA   PRO  30           HA       PRO  30 -13.509  -1.157  -0.547
  252   1HB   PRO  30           HB2      PRO  30 -15.078  -1.082  -3.052
  253   2HB   PRO  30           HB3      PRO  30 -13.596  -0.221  -2.629
  254   1HG   PRO  30           HG2      PRO  30 -13.565  -2.250  -4.363
  255   2HG   PRO  30           HG3      PRO  30 -12.242  -2.011  -3.206
  256   1HD   PRO  30           HD2      PRO  30 -14.521  -3.952  -3.105
  257   2HD   PRO  30           HD3      PRO  30 -12.811  -4.201  -2.699
  258    H    THR  31           H        THR  31 -16.411  -2.599  -2.055
  259    HA   THR  31           HA       THR  31 -18.142  -0.819  -0.578
  260    HB   THR  31           HB       THR  31 -19.979  -1.961  -1.761
  261    HG1  THR  31           HG1      THR  31 -17.854  -3.579  -2.746
  262   1HG2  THR  31          2HG2      THR  31 -18.852  -0.075  -2.834
  263   2HG2  THR  31          1HG2      THR  31 -17.677  -1.176  -3.551
  264   3HG2  THR  31          3HG2      THR  31 -19.372  -1.260  -4.031
  265    H    THR  32           H        THR  32 -16.820  -2.195   1.305
  266    HA   THR  32           HA       THR  32 -18.903  -3.961   2.384
  267    HB   THR  32           HB       THR  32 -15.939  -4.530   2.360
  268    HG1  THR  32           HG1      THR  32 -16.792  -6.545   1.469
  269   1HG2  THR  32          2HG2      THR  32 -18.114  -5.896   3.949
  270   2HG2  THR  32          1HG2      THR  32 -16.465  -6.492   3.764
  271   3HG2  THR  32          3HG2      THR  32 -16.764  -4.970   4.602
  272    H    GLY  33           H        GLY  33 -15.760  -2.579   3.393
  273   1HA   GLY  33           HA3      GLY  33 -15.920  -2.344   6.014
  274   2HA   GLY  33           HA2      GLY  33 -17.133  -1.161   5.552
  275    H    TYR  34           H        TYR  34 -13.850  -1.726   6.108
  276    HA   TYR  34           HA       TYR  34 -13.239   1.044   5.480
  277   1HB   TYR  34           HB2      TYR  34 -11.550  -1.069   6.830
  278   2HB   TYR  34           HB3      TYR  34 -11.139   0.635   6.696
  279    HD1  TYR  34           HD1      TYR  34 -14.034  -1.425   7.890
  280    HD2  TYR  34           HD2      TYR  34 -11.466   1.897   8.595
  281    HE1  TYR  34           HE1      TYR  34 -15.190  -0.989  10.016
  282    HE2  TYR  34           HE2      TYR  34 -12.619   2.341  10.720
  283    HH   TYR  34           HH       TYR  34 -14.800   1.890  11.764
  284    H    MET  35           H        MET  35 -10.535   0.923   4.985
  285    HA   MET  35           HA       MET  35 -10.263  -0.615   2.512
  286   1HB   MET  35           HB2      MET  35 -10.706   1.420   1.545
  287   2HB   MET  35           HB3      MET  35 -10.104   2.323   2.925
  288   1HG   MET  35           HG2      MET  35  -7.837   1.956   2.263
  289   2HG   MET  35           HG3      MET  35  -8.345   0.860   0.993
  290   1HE   MET  35           HE1      MET  35  -6.676   2.294  -0.430
  291   2HE   MET  35           HE3      MET  35  -7.056   3.878  -1.105
  292   3HE   MET  35           HE2      MET  35  -6.456   3.744   0.548
  293    H    TRP  36           H        TRP  36  -8.143  -1.144   1.959
  294    HA   TRP  36           HA       TRP  36  -6.264  -1.006   4.200
  295   1HB   TRP  36           HB2      TRP  36  -6.783  -2.946   2.032
  296   2HB   TRP  36           HB3      TRP  36  -5.103  -2.724   2.491
  297    HD1  TRP  36           HD1      TRP  36  -8.071  -4.687   3.396
  298    HE1  TRP  36           HE1      TRP  36  -7.757  -5.830   5.681
  299    HE3  TRP  36           HE3      TRP  36  -3.966  -2.124   5.021
  300    HZ2  TRP  36           HZ2      TRP  36  -5.997  -5.664   7.884
  301    HZ3  TRP  36           HZ3      TRP  36  -3.026  -2.673   7.223
  302    HH2  TRP  36           HH2      TRP  36  -4.023  -4.406   8.626
  303    H    THR  37           H        THR  37  -4.901   0.636   4.080
  304    HA   THR  37           HA       THR  37  -3.333   1.035   1.674
  305    HB   THR  37           HB       THR  37  -5.353   2.420   1.294
  306    HG1  THR  37           HG1      THR  37  -4.099   4.441   1.028
  307   1HG2  THR  37          2HG2      THR  37  -5.851   2.896   3.656
  308   2HG2  THR  37          1HG2      THR  37  -4.412   3.911   3.754
  309   3HG2  THR  37          3HG2      THR  37  -5.751   4.375   2.703
  310    H    ARG  38           H        ARG  38  -2.014   3.354   2.250
  311    HA   ARG  38           HA       ARG  38  -0.613   2.641   4.694
  312   1HB   ARG  38           HB2      ARG  38   0.044   4.205   2.266
  313   2HB   ARG  38           HB3      ARG  38   0.799   4.732   3.756
  314   1HG   ARG  38           HG2      ARG  38   1.857   2.660   4.073
  315   2HG   ARG  38           HG3      ARG  38   0.936   1.921   2.760
  316   1HD   ARG  38           HD2      ARG  38   3.331   2.628   2.275
  317   2HD   ARG  38           HD3      ARG  38   2.114   3.095   1.120
  318    HE   ARG  38           HE       ARG  38   2.263   5.334   2.000
  319   1HH1  ARG  38          1HH1      ARG  38   4.697   3.108   3.119
  320   2HH1  ARG  38          2HH1      ARG  38   5.850   4.347   3.489
  321   1HH2  ARG  38          1HH2      ARG  38   3.792   6.976   2.465
  322   2HH2  ARG  38          2HH2      ARG  38   5.334   6.541   3.122
  323    H    VAL  39           H        VAL  39  -0.075   4.184   6.330
  324    HA   VAL  39           HA       VAL  39  -2.289   5.729   7.175
  325    HB   VAL  39           HB       VAL  39   0.541   5.807   8.227
  326   1HG1  VAL  39          2HG1      VAL  39  -2.067   6.638   9.495
  327   2HG1  VAL  39          1HG1      VAL  39  -0.499   6.605  10.303
  328   3HG1  VAL  39          3HG1      VAL  39  -0.776   7.713   8.960
  329   1HG2  VAL  39          1HG2      VAL  39  -0.629   3.548   8.157
  330   2HG2  VAL  39          3HG2      VAL  39  -0.017   4.086   9.721
  331   3HG2  VAL  39          2HG2      VAL  39  -1.738   4.213   9.356
  332    H    GLY  40           H        GLY  40  -2.775   7.828   6.964
  333   1HA   GLY  40           HA3      GLY  40  -0.785   9.828   6.412
  334   2HA   GLY  40           HA2      GLY  40  -2.517  10.087   6.546
  335    H    PHE  41           H        PHE  41  -2.671   7.767   4.460
  336    HA   PHE  41           HA       PHE  41  -2.433   9.564   2.155
  337   1HB   PHE  41           HB2      PHE  41  -1.547   6.674   2.159
  338   2HB   PHE  41           HB3      PHE  41  -1.488   7.781   0.792
  339    HD1  PHE  41           HD1      PHE  41   0.300   6.420   3.482
  340    HD2  PHE  41           HD2      PHE  41  -0.113   9.966   1.179
  341    HE1  PHE  41           HE1      PHE  41   2.538   7.143   4.207
  342    HE2  PHE  41           HE2      PHE  41   2.126  10.700   1.891
  343    HZ   PHE  41           HZ       PHE  41   3.454   9.287   3.411
  344    H    VAL  42           H        VAL  42  -4.285   7.538   3.995
  345    HA   VAL  42           HA       VAL  42  -5.888   6.046   2.400
  346    HB   VAL  42           HB       VAL  42  -6.298   6.148   4.769
  347   1HG1  VAL  42          2HG1      VAL  42  -5.768   8.503   5.129
  348   2HG1  VAL  42          1HG1      VAL  42  -7.264   8.970   4.321
  349   3HG1  VAL  42          3HG1      VAL  42  -7.325   8.084   5.844
  350   1HG2  VAL  42          1HG2      VAL  42  -8.685   7.124   3.206
  351   2HG2  VAL  42          3HG2      VAL  42  -8.177   5.448   3.416
  352   3HG2  VAL  42          2HG2      VAL  42  -8.754   6.376   4.801
  353    H    GLY  43           H        GLY  43  -7.109   6.368   0.660
  354   1HA   GLY  43           HA3      GLY  43  -8.489   8.918   0.300
  355   2HA   GLY  43           HA2      GLY  43  -8.776   7.445  -0.613
  356    H    LYS  44           H        LYS  44  -5.663   9.012  -0.033
  357    HA   LYS  44           HA       LYS  44  -5.465  10.423  -2.435
  358   1HB   LYS  44           HB2      LYS  44  -3.273   9.206  -0.750
  359   2HB   LYS  44           HB3      LYS  44  -3.036  10.414  -1.998
  360   1HG   LYS  44           HG2      LYS  44  -4.440  11.981  -0.719
  361   2HG   LYS  44           HG3      LYS  44  -4.592  10.767   0.554
  362   1HD   LYS  44           HD2      LYS  44  -2.872  12.322   1.181
  363   2HD   LYS  44           HD3      LYS  44  -2.117  10.778   0.781
  364   1HE   LYS  44           HE2      LYS  44  -1.546  11.630  -1.439
  365   2HE   LYS  44           HE3      LYS  44  -2.306  13.172  -1.044
  366   1HZ   LYS  44           HZ1      LYS  44  -0.684  13.473   0.725
  367   2HZ   LYS  44           HZ3      LYS  44   0.047  11.998   0.337
  368   3HZ   LYS  44           HZ2      LYS  44   0.087  13.277  -0.768
  369    H    ASP  45           H        ASP  45  -3.718   9.919  -4.106
  370    HA   ASP  45           HA       ASP  45  -4.371   7.402  -5.327
  371   1HB   ASP  45           HB2      ASP  45  -2.783   9.817  -6.130
  372   2HB   ASP  45           HB3      ASP  45  -2.675   8.335  -7.066
  373    H    VAL  46           H        VAL  46  -1.281   8.995  -4.577
  374    HA   VAL  46           HA       VAL  46  -0.006   6.356  -4.408
  375    HB   VAL  46           HB       VAL  46   0.995   8.078  -5.911
  376   1HG1  VAL  46          3HG1      VAL  46   0.502  10.050  -4.560
  377   2HG1  VAL  46          2HG1      VAL  46   1.636   9.492  -3.328
  378   3HG1  VAL  46          1HG1      VAL  46   2.224   9.942  -4.930
  379   1HG2  VAL  46          1HG2      VAL  46   2.345   6.249  -5.043
  380   2HG2  VAL  46          3HG2      VAL  46   3.306   7.721  -5.171
  381   3HG2  VAL  46          2HG2      VAL  46   2.714   7.188  -3.597
  382    H    LEU  47           H        LEU  47   1.114   5.695  -2.620
  383    HA   LEU  47           HA       LEU  47   0.505   7.147  -0.150
  384   1HB   LEU  47           HB2      LEU  47   1.600   4.374  -0.247
  385   2HB   LEU  47           HB3      LEU  47   0.610   5.122   0.985
  386    HG   LEU  47           HG       LEU  47  -0.357   4.314  -1.760
  387   1HD1  LEU  47          3HD1      LEU  47  -0.752   3.012   0.929
  388   2HD1  LEU  47          2HD1      LEU  47  -1.595   2.559  -0.553
  389   3HD1  LEU  47          1HD1      LEU  47   0.154   2.360  -0.436
  390   1HD2  LEU  47          3HD2      LEU  47  -1.846   5.363   0.639
  391   2HD2  LEU  47          2HD2      LEU  47  -1.598   6.202  -0.894
  392   3HD2  LEU  47          1HD2      LEU  47  -2.590   4.744  -0.835
  393    H    SER  48           H        SER  48   3.128   5.380  -1.732
  394    HA   SER  48           HA       SER  48   5.222   5.852  -0.040
  395   1HB   SER  48           HB2      SER  48   6.655   5.454  -1.921
  396   2HB   SER  48           HB3      SER  48   5.216   4.466  -2.135
  397    HG   SER  48           HG       SER  48   5.836   6.917  -3.412
  398    H    ASP  49           H        ASP  49   7.219   7.260  -0.791
  399    HA   ASP  49           HA       ASP  49   6.532   9.890  -1.752
  400   1HB   ASP  49           HB2      ASP  49   7.203   9.411   1.142
  401   2HB   ASP  49           HB3      ASP  49   7.519  10.962   0.367
  402    H    GLU  50           H        GLU  50   9.101   9.286   0.543
  403    HA   GLU  50           HA       GLU  50  11.056   9.313  -1.654
  404   1HB   GLU  50           HB2      GLU  50  12.488  10.744  -0.298
  405   2HB   GLU  50           HB3      GLU  50  10.922  11.503  -0.562
  406   1HG   GLU  50           HG2      GLU  50  10.205  10.849   1.661
  407   2HG   GLU  50           HG3      GLU  50  11.756  10.055   1.939
  408    H    ILE  51           H        ILE  51  10.270   8.294   1.610
  409    HA   ILE  51           HA       ILE  51  12.685   6.878   2.106
  410    HB   ILE  51           HB       ILE  51   9.974   6.432   3.356
  411   1HG1  ILE  51          2HG1      ILE  51  10.754   8.800   3.451
  412   2HG1  ILE  51          3HG1      ILE  51  10.591   8.039   5.027
  413   1HG2  ILE  51          2HG2      ILE  51  12.756   5.768   4.301
  414   2HG2  ILE  51          1HG2      ILE  51  11.298   5.626   5.284
  415   3HG2  ILE  51          3HG2      ILE  51  11.490   4.630   3.842
  416   1HD1  ILE  51          3HD1      ILE  51  13.175   8.413   3.532
  417   2HD1  ILE  51          2HD1      ILE  51  12.603   9.416   4.867
  418   3HD1  ILE  51          1HD1      ILE  51  12.993   7.718   5.143
  419    H    LEU  52           H        LEU  52   9.494   5.369   2.044
  420    HA   LEU  52           HA       LEU  52  10.661   3.079   0.633
  421   1HB   LEU  52           HB2      LEU  52   8.412   3.453   2.531
  422   2HB   LEU  52           HB3      LEU  52   8.225   2.201   1.319
  423    HG   LEU  52           HG       LEU  52  10.634   2.335   3.107
  424   1HD1  LEU  52          2HD1      LEU  52   8.052   0.861   3.597
  425   2HD1  LEU  52          1HD1      LEU  52   9.536   0.675   4.532
  426   3HD1  LEU  52          3HD1      LEU  52   8.677   2.215   4.540
  427   1HD2  LEU  52          2HD2      LEU  52  10.637   0.970   0.987
  428   2HD2  LEU  52          1HD2      LEU  52  10.979   0.082   2.473
  429   3HD2  LEU  52          3HD2      LEU  52   9.384  -0.024   1.728
  430    H    GLU  53           H        GLU  53  10.373   3.009  -1.508
  431    HA   GLU  53           HA       GLU  53   8.372   4.500  -2.869
  432   1HB   GLU  53           HB2      GLU  53  10.589   2.733  -3.575
  433   2HB   GLU  53           HB3      GLU  53   9.206   2.543  -4.641
  434   1HG   GLU  53           HG2      GLU  53  10.011   5.304  -4.055
  435   2HG   GLU  53           HG3      GLU  53  11.153   4.345  -4.993
  436    H    VAL  54           H        VAL  54   6.690   3.557  -1.366
  437    HA   VAL  54           HA       VAL  54   5.820   0.885  -1.738
  438    HB   VAL  54           HB       VAL  54   4.163   3.175  -0.700
  439   1HG1  VAL  54          2HG1      VAL  54   2.963   1.109  -1.228
  440   2HG1  VAL  54          1HG1      VAL  54   4.057   0.209  -0.177
  441   3HG1  VAL  54          3HG1      VAL  54   2.980   1.426   0.507
  442   1HG2  VAL  54          1HG2      VAL  54   6.282   1.537   0.647
  443   2HG2  VAL  54          3HG2      VAL  54   6.078   3.287   0.635
  444   3HG2  VAL  54          2HG2      VAL  54   4.969   2.276   1.560
  445    H    VAL  55           H        VAL  55   5.733   0.794  -4.067
  446    HA   VAL  55           HA       VAL  55   3.768   2.332  -5.471
  447    HB   VAL  55           HB       VAL  55   5.035  -0.248  -6.362
  448   1HG1  VAL  55          2HG1      VAL  55   3.002   0.649  -7.553
  449   2HG1  VAL  55          1HG1      VAL  55   3.993   2.026  -8.029
  450   3HG1  VAL  55          3HG1      VAL  55   4.430   0.401  -8.561
  451   1HG2  VAL  55          3HG2      VAL  55   6.785   1.340  -5.754
  452   2HG2  VAL  55          2HG2      VAL  55   6.716   1.135  -7.504
  453   3HG2  VAL  55          1HG2      VAL  55   6.026   2.576  -6.756
  454    H    CYS  56           H        CYS  56   2.045   1.927  -4.053
  455    HA   CYS  56           HA       CYS  56   0.917  -0.758  -3.998
  456   1HB   CYS  56           HB2      CYS  56   0.947   0.292  -1.858
  457   2HB   CYS  56           HB3      CYS  56   0.247   1.773  -2.500
  458    HG   CYS  56           HG       CYS  56  -2.228   1.138  -2.184
  459    H    LYS  57           H        LYS  57  -0.968  -1.323  -4.914
  460    HA   LYS  57           HA       LYS  57  -2.456   0.733  -6.381
  461   1HB   LYS  57           HB2      LYS  57  -2.022  -2.028  -7.475
  462   2HB   LYS  57           HB3      LYS  57  -2.637  -0.614  -8.312
  463   1HG   LYS  57           HG2      LYS  57  -0.431   0.428  -8.188
  464   2HG   LYS  57           HG3      LYS  57   0.191  -0.997  -7.352
  465   1HD   LYS  57           HD2      LYS  57  -0.350  -2.377  -9.302
  466   2HD   LYS  57           HD3      LYS  57  -0.966  -0.949 -10.139
  467   1HE   LYS  57           HE2      LYS  57   1.297  -1.473 -10.868
  468   2HE   LYS  57           HE3      LYS  57   1.248   0.077 -10.027
  469   1HZ   LYS  57           HZ3      LYS  57   2.122  -2.503  -8.843
  470   2HZ   LYS  57           HZ2      LYS  57   3.144  -1.247  -9.334
  471   3HZ   LYS  57           HZ1      LYS  57   2.079  -1.014  -8.040
  472    H    TYR  58           H        TYR  58  -4.308   0.816  -5.328
  473    HA   TYR  58           HA       TYR  58  -5.425  -1.427  -3.964
  474   1HB   TYR  58           HB2      TYR  58  -5.800   0.913  -3.191
  475   2HB   TYR  58           HB3      TYR  58  -6.742   1.219  -4.649
  476    HD1  TYR  58           HD1      TYR  58  -7.207   0.976  -1.371
  477    HD2  TYR  58           HD2      TYR  58  -8.471  -1.105  -4.878
  478    HE1  TYR  58           HE1      TYR  58  -9.248   0.214  -0.217
  479    HE2  TYR  58           HE2      TYR  58 -10.478  -1.887  -3.727
  480    HH   TYR  58           HH       TYR  58 -11.265  -2.233  -1.424
  481    H    THR  59           H        THR  59  -6.198  -3.081  -5.064
  482    HA   THR  59           HA       THR  59  -7.503  -2.660  -7.633
  483    HB   THR  59           HB       THR  59  -7.569  -5.353  -7.232
  484    HG1  THR  59           HG1      THR  59  -6.417  -5.565  -5.422
  485   1HG2  THR  59          1HG2      THR  59  -6.680  -4.213  -9.204
  486   2HG2  THR  59          3HG2      THR  59  -5.240  -3.758  -8.294
  487   3HG2  THR  59          2HG2      THR  59  -5.565  -5.457  -8.638
  488    HA   PRO  60           HA       PRO  60 -11.354  -3.169  -5.370
  489   1HB   PRO  60           HB2      PRO  60 -12.849  -1.640  -6.973
  490   2HB   PRO  60           HB3      PRO  60 -11.677  -0.946  -5.852
  491   1HG   PRO  60           HG2      PRO  60 -11.557  -1.188  -8.790
  492   2HG   PRO  60           HG3      PRO  60 -10.731  -0.045  -7.718
  493   1HD   PRO  60           HD2      PRO  60  -9.687  -2.446  -8.888
  494   2HD   PRO  60           HD3      PRO  60  -8.867  -1.292  -7.821
  495    H    THR  61           H        THR  61 -11.928  -2.911  -8.811
  496    HA   THR  61           HA       THR  61 -13.121  -5.594  -8.822
  497    HB   THR  61           HB       THR  61 -14.369  -3.569 -10.592
  498    HG1  THR  61           HG1      THR  61 -15.708  -3.390  -8.339
  499   1HG2  THR  61          3HG2      THR  61 -15.390  -5.830  -8.874
  500   2HG2  THR  61          2HG2      THR  61 -16.423  -4.787  -9.853
  501   3HG2  THR  61          1HG2      THR  61 -15.217  -5.814 -10.629
  502    HA   PRO  62           HA       PRO  62 -10.520  -6.390 -12.319
  503   1HB   PRO  62           HB2      PRO  62 -12.837  -7.915 -13.391
  504   2HB   PRO  62           HB3      PRO  62 -11.172  -8.440 -13.118
  505   1HG   PRO  62           HG2      PRO  62 -13.124  -9.220 -11.485
  506   2HG   PRO  62           HG3      PRO  62 -11.521  -8.803 -10.851
  507   1HD   PRO  62           HD2      PRO  62 -14.051  -7.210 -10.807
  508   2HD   PRO  62           HD3      PRO  62 -12.797  -7.371  -9.562
  509    H    SER  63           H        SER  63 -10.116  -5.309 -14.147
  510    HA   SER  63           HA       SER  63 -12.272  -3.737 -15.337
  511   1HB   SER  63           HB2      SER  63  -9.271  -3.593 -15.713
  512   2HB   SER  63           HB3      SER  63 -10.440  -2.507 -16.464
  513    HG   SER  63           HG       SER  63 -10.866  -2.633 -13.815
  514    H    SER  64           H        SER  64 -11.650  -3.345 -17.854
  515    HA   SER  64           HA       SER  64 -12.074  -5.945 -19.071
  516   1HB   SER  64           HB2      SER  64 -13.492  -4.044 -19.735
  517   2HB   SER  64           HB3      SER  64 -12.065  -3.179 -20.309
  518    HG   SER  64           HG       SER  64 -12.729  -4.131 -22.109
  519    H    THR  65           H        THR  65  -9.396  -4.615 -18.073
  520    HA   THR  65           HA       THR  65  -7.688  -4.356 -20.277
  521    HB   THR  65           HB       THR  65  -5.839  -4.750 -18.692
  522    HG1  THR  65           HG1      THR  65  -7.654  -6.156 -17.387
  523   1HG2  THR  65          1HG2      THR  65  -6.864  -2.533 -18.801
  524   2HG2  THR  65          3HG2      THR  65  -8.044  -3.010 -17.579
  525   3HG2  THR  65          2HG2      THR  65  -6.334  -2.900 -17.158
  526    HA   PRO  66           HA       PRO  66  -6.965  -8.522 -21.574
  527   1HB   PRO  66           HB2      PRO  66  -4.489  -8.382 -22.586
  528   2HB   PRO  66           HB3      PRO  66  -5.832  -7.505 -23.333
  529   1HG   PRO  66           HG2      PRO  66  -3.769  -6.500 -21.388
  530   2HG   PRO  66           HG3      PRO  66  -4.278  -5.778 -22.929
  531   1HD   PRO  66           HD2      PRO  66  -5.249  -4.939 -20.553
  532   2HD   PRO  66           HD3      PRO  66  -6.246  -4.953 -22.023
  533    H    MET  67           H        MET  67  -5.909  -7.486 -18.811
  534    HA   MET  67           HA       MET  67  -4.304  -9.884 -18.253
  535   1HB   MET  67           HB2      MET  67  -3.887  -7.131 -17.074
  536   2HB   MET  67           HB3      MET  67  -3.018  -8.582 -16.595
  537   1HG   MET  67           HG2      MET  67  -2.952  -7.300 -19.318
  538   2HG   MET  67           HG3      MET  67  -1.692  -7.198 -18.089
  539   1HE   MET  67           HE1      MET  67   0.113  -8.018 -19.860
  540   2HE   MET  67           HE3      MET  67  -0.062  -9.484 -20.824
  541   3HE   MET  67           HE2      MET  67  -1.145  -8.118 -21.093
  542    H    VAL  68           H        VAL  68  -6.231 -10.913 -17.579
  543    HA   VAL  68           HA       VAL  68  -8.011  -9.918 -15.660
  544    HB   VAL  68           HB       VAL  68  -8.587 -11.831 -17.041
  545   1HG1  VAL  68          3HG1      VAL  68  -6.394 -12.875 -17.194
  546   2HG1  VAL  68          2HG1      VAL  68  -6.475 -13.324 -15.490
  547   3HG1  VAL  68          1HG1      VAL  68  -7.600 -14.038 -16.645
  548   1HG2  VAL  68          1HG2      VAL  68  -9.740 -11.580 -14.908
  549   2HG2  VAL  68          3HG2      VAL  68  -9.555 -13.283 -15.327
  550   3HG2  VAL  68          2HG2      VAL  68  -8.502 -12.554 -14.115
  551    H    GLY  69           H        GLY  69  -8.042  -9.925 -13.482
  552   1HA   GLY  69           HA3      GLY  69  -5.761 -11.177 -12.085
  553   2HA   GLY  69           HA2      GLY  69  -7.348 -10.931 -11.370
  554    H    VAL  70           H        VAL  70  -7.792  -8.283 -12.199
  555    HA   VAL  70           HA       VAL  70  -5.959  -6.896 -10.395
  556    HB   VAL  70           HB       VAL  70  -6.630  -5.845 -13.151
  557   1HG1  VAL  70          1HG1      VAL  70  -6.502  -4.080 -11.463
  558   2HG1  VAL  70          3HG1      VAL  70  -4.910  -4.660 -10.974
  559   3HG1  VAL  70          2HG1      VAL  70  -5.147  -3.990 -12.588
  560   1HG2  VAL  70          2HG2      VAL  70  -4.006  -6.813 -12.022
  561   2HG2  VAL  70          1HG2      VAL  70  -4.971  -7.620 -13.258
  562   3HG2  VAL  70          3HG2      VAL  70  -4.229  -6.057 -13.599
  563    H    GLY  71           H        GLY  71  -7.798  -6.967  -8.980
  564   1HA   GLY  71           HA3      GLY  71 -10.157  -5.475  -9.797
  565   2HA   GLY  71           HA2      GLY  71  -9.182  -4.775  -8.516
  566    H    GLY  72           H        GLY  72  -9.292  -5.594  -6.479
  567   1HA   GLY  72           HA3      GLY  72 -10.753  -8.070  -6.044
  568   2HA   GLY  72           HA2      GLY  72 -11.462  -6.611  -5.381
  569    H    ILE  73           H        ILE  73  -8.257  -6.084  -5.181
  570    HA   ILE  73           HA       ILE  73  -8.178  -6.811  -2.383
  571    HB   ILE  73           HB       ILE  73  -5.884  -7.801  -2.652
  572   1HG1  ILE  73          2HG1      ILE  73  -6.655  -8.411  -5.478
  573   2HG1  ILE  73          3HG1      ILE  73  -5.737  -6.959  -5.081
  574   1HG2  ILE  73          3HG2      ILE  73  -7.896  -9.131  -2.168
  575   2HG2  ILE  73          2HG2      ILE  73  -8.074  -9.421  -3.899
  576   3HG2  ILE  73          1HG2      ILE  73  -6.647 -10.018  -3.044
  577   1HD1  ILE  73          2HD1      ILE  73  -4.022  -8.361  -4.025
  578   2HD1  ILE  73          1HD1      ILE  73  -4.926  -9.797  -4.509
  579   3HD1  ILE  73          3HD1      ILE  73  -4.243  -8.730  -5.738
  580    H    TYR  74           H        TYR  74  -5.455  -6.397  -1.987
  581    HA   TYR  74           HA       TYR  74  -4.957  -3.683  -2.984
  582   1HB   TYR  74           HB2      TYR  74  -4.233  -4.391  -0.168
  583   2HB   TYR  74           HB3      TYR  74  -4.618  -2.818  -0.861
  584    HD1  TYR  74           HD1      TYR  74  -6.097  -5.996   0.339
  585    HD2  TYR  74           HD2      TYR  74  -6.838  -1.972  -0.821
  586    HE1  TYR  74           HE1      TYR  74  -8.377  -6.168   1.222
  587    HE2  TYR  74           HE2      TYR  74  -9.125  -2.143   0.071
  588    HH   TYR  74           HH       TYR  74 -10.786  -3.886   0.561
  589    H    VAL  75           H        VAL  75  -3.246  -4.160  -4.313
  590    HA   VAL  75           HA       VAL  75  -1.165  -5.952  -3.312
  591    HB   VAL  75           HB       VAL  75  -1.800  -6.531  -5.515
  592   1HG1  VAL  75          2HG1      VAL  75  -1.503  -3.614  -6.179
  593   2HG1  VAL  75          1HG1      VAL  75  -1.658  -4.881  -7.394
  594   3HG1  VAL  75          3HG1      VAL  75  -2.968  -4.597  -6.246
  595   1HG2  VAL  75          2HG2      VAL  75   0.612  -6.570  -5.100
  596   2HG2  VAL  75          1HG2      VAL  75   0.249  -6.233  -6.793
  597   3HG2  VAL  75          3HG2      VAL  75   0.744  -4.925  -5.719
  598    H    VAL  76           H        VAL  76   0.298  -5.014  -2.107
  599    HA   VAL  76           HA       VAL  76   1.155  -2.270  -2.722
  600    HB   VAL  76           HB       VAL  76   1.616  -3.868  -0.204
  601   1HG1  VAL  76          3HG1      VAL  76   2.059  -0.960  -0.863
  602   2HG1  VAL  76          2HG1      VAL  76   2.158  -1.647   0.758
  603   3HG1  VAL  76          1HG1      VAL  76   3.290  -2.167  -0.491
  604   1HG2  VAL  76          2HG2      VAL  76  -0.768  -3.426  -0.591
  605   2HG2  VAL  76          1HG2      VAL  76  -0.147  -2.530   0.796
  606   3HG2  VAL  76          3HG2      VAL  76  -0.417  -1.705  -0.738
  607    H    LEU  77           H        LEU  77   3.097  -1.895  -3.574
  608    HA   LEU  77           HA       LEU  77   5.162  -3.989  -3.390
  609   1HB   LEU  77           HB2      LEU  77   4.742  -1.808  -5.431
  610   2HB   LEU  77           HB3      LEU  77   6.198  -2.777  -5.349
  611    HG   LEU  77           HG       LEU  77   3.409  -3.827  -5.865
  612   1HD1  LEU  77          3HD1      LEU  77   5.760  -3.479  -7.720
  613   2HD1  LEU  77          2HD1      LEU  77   4.231  -4.258  -8.128
  614   3HD1  LEU  77          1HD1      LEU  77   4.268  -2.538  -7.742
  615   1HD2  LEU  77          3HD2      LEU  77   5.174  -5.284  -4.646
  616   2HD2  LEU  77          2HD2      LEU  77   4.293  -5.957  -6.021
  617   3HD2  LEU  77          1HD2      LEU  77   5.941  -5.368  -6.233
  618    H    VAL  78           H        VAL  78   6.271  -3.450  -1.563
  619    HA   VAL  78           HA       VAL  78   6.951  -0.648  -1.118
  620    HB   VAL  78           HB       VAL  78   8.114  -2.422   0.826
  621   1HG1  VAL  78          2HG1      VAL  78   5.926  -0.335   0.983
  622   2HG1  VAL  78          1HG1      VAL  78   6.760  -1.048   2.366
  623   3HG1  VAL  78          3HG1      VAL  78   7.658  -0.062   1.213
  624   1HG2  VAL  78          2HG2      VAL  78   5.149  -2.731   0.384
  625   2HG2  VAL  78          1HG2      VAL  78   6.371  -3.987   0.186
  626   3HG2  VAL  78          3HG2      VAL  78   6.045  -3.320   1.785
  627    H    LYS  79           H        LYS  79   8.639   0.069  -2.210
  628    HA   LYS  79           HA       LYS  79  11.029  -1.640  -2.430
  629   1HB   LYS  79           HB2      LYS  79   9.795   0.372  -4.255
  630   2HB   LYS  79           HB3      LYS  79  11.541   0.179  -4.287
  631   1HG   LYS  79           HG2      LYS  79  11.227  -2.233  -4.725
  632   2HG   LYS  79           HG3      LYS  79   9.477  -1.959  -4.809
  633   1HD   LYS  79           HD2      LYS  79  11.527  -0.612  -6.571
  634   2HD   LYS  79           HD3      LYS  79  10.572  -2.021  -7.033
  635   1HE   LYS  79           HE2      LYS  79   8.517  -0.728  -6.732
  636   2HE   LYS  79           HE3      LYS  79   9.470   0.681  -6.269
  637   1HZ   LYS  79           HZ1      LYS  79  10.480   0.674  -8.466
  638   2HZ   LYS  79           HZ3      LYS  79   9.559  -0.674  -8.910
  639   3HZ   LYS  79           HZ2      LYS  79   8.797   0.799  -8.581
  640    HA   PRO  80           HA       PRO  80  12.385   1.449   0.689
  641   1HB   PRO  80           HB2      PRO  80  14.868   0.133   0.854
  642   2HB   PRO  80           HB3      PRO  80  13.504  -0.029   1.961
  643   1HG   PRO  80           HG2      PRO  80  14.338  -1.781  -0.286
  644   2HG   PRO  80           HG3      PRO  80  13.535  -2.206   1.237
  645   1HD   PRO  80           HD2      PRO  80  12.212  -2.157  -1.101
  646   2HD   PRO  80           HD3      PRO  80  11.438  -1.674   0.423
  647    H    ARG  81           H        ARG  81  12.656   3.238  -0.543
  648    HA   ARG  81           HA       ARG  81  14.451   3.499  -2.703
  649   1HB   ARG  81           HB2      ARG  81  12.551   5.123  -1.319
  650   2HB   ARG  81           HB3      ARG  81  14.044   6.035  -1.489
  651   1HG   ARG  81           HG2      ARG  81  13.999   5.755  -3.872
  652   2HG   ARG  81           HG3      ARG  81  12.612   4.668  -3.753
  653   1HD   ARG  81           HD2      ARG  81  11.249   6.476  -2.863
  654   2HD   ARG  81           HD3      ARG  81  12.633   7.570  -2.930
  655    HE   ARG  81           HE       ARG  81  11.974   6.381  -5.464
  656   1HH1  ARG  81          1HH1      ARG  81  11.320   9.014  -3.277
  657   2HH1  ARG  81          2HH1      ARG  81  10.733  10.069  -4.519
  658   1HH2  ARG  81          1HH2      ARG  81  11.202   7.762  -7.105
  659   2HH2  ARG  81          2HH2      ARG  81  10.666   9.357  -6.695
  660    H    LYS  82           H        LYS  82  14.787   3.904   0.741
  661    HA   LYS  82           HA       LYS  82  17.607   4.670   0.354
  662   1HB   LYS  82           HB2      LYS  82  15.897   5.303   2.764
  663   2HB   LYS  82           HB3      LYS  82  17.516   5.899   2.425
  664   1HG   LYS  82           HG2      LYS  82  16.672   7.155   0.518
  665   2HG   LYS  82           HG3      LYS  82  15.048   6.534   0.821
  666   1HD   LYS  82           HD2      LYS  82  15.092   7.605   3.046
  667   2HD   LYS  82           HD3      LYS  82  16.671   8.291   2.657
  668   1HE   LYS  82           HE2      LYS  82  14.113   8.796   1.138
  669   2HE   LYS  82           HE3      LYS  82  14.857   9.903   2.292
  670   1HZ   LYS  82           HZ3      LYS  82  16.089   8.973  -0.245
  671   2HZ   LYS  82           HZ2      LYS  82  15.400  10.495   0.014
  672   3HZ   LYS  82           HZ1      LYS  82  16.794  10.044   0.859
  673    H    ARG  83           H        ARG  83  18.860   4.127   2.521
  674    HA   ARG  83           HA       ARG  83  18.141   1.368   3.267
  675   1HB   ARG  83           HB2      ARG  83  20.905   2.528   2.878
  676   2HB   ARG  83           HB3      ARG  83  20.560   0.900   3.442
  677   1HG   ARG  83           HG2      ARG  83  19.475   0.383   1.320
  678   2HG   ARG  83           HG3      ARG  83  19.804   2.022   0.753
  679   1HD   ARG  83           HD2      ARG  83  21.873  -0.031   1.524
  680   2HD   ARG  83           HD3      ARG  83  21.436   0.425  -0.121
  681    HE   ARG  83           HE       ARG  83  22.187   2.742   1.237
  682   1HH1  ARG  83          1HH1      ARG  83  23.618  -0.240   0.139
  683   2HH1  ARG  83          2HH1      ARG  83  25.196   0.443  -0.064
  684   1HH2  ARG  83          1HH2      ARG  83  24.262   3.648   0.974
  685   2HH2  ARG  83          2HH2      ARG  83  25.563   2.653   0.412
  686    H    GLY  84           H        GLY  84  17.849   1.008   5.360
  687   1HA   GLY  84           HA3      GLY  84  18.490   3.135   7.254
  688   2HA   GLY  84           HA2      GLY  84  19.239   1.571   7.542
  689    H    HIS  85           H        HIS  85  16.538   3.493   8.105
  690    HA   HIS  85           HA       HIS  85  15.055   1.162   9.128
  691   1HB   HIS  85           HB2      HIS  85  15.881   2.702  10.873
  692   2HB   HIS  85           HB3      HIS  85  14.976   4.012  10.124
  693    HD1  HIS  85           HD1      HIS  85  12.566   4.259  10.773
  694    HD2  HIS  85           HD2      HIS  85  14.202   0.655  12.036
  695    HE1  HIS  85           HE1      HIS  85  10.829   3.217  12.264
  696    HE2  HIS  85           HE2      HIS  85  11.877   1.079  13.086
  697    H    HIS  86           H        HIS  86  13.377   0.674   7.935
  698    HA   HIS  86           HA       HIS  86  11.645   2.824   6.933
  699   1HB   HIS  86           HB2      HIS  86  12.423   0.397   5.300
  700   2HB   HIS  86           HB3      HIS  86  11.383   1.722   4.790
  701    HD1  HIS  86           HD1      HIS  86  14.899   1.687   6.264
  702    HD2  HIS  86           HD2      HIS  86  12.780   3.179   3.018
  703    HE1  HIS  86           HE1      HIS  86  16.552   3.050   4.950
  704    HE2  HIS  86           HE2      HIS  86  15.277   3.834   2.925
  705    H    THR  87           H        THR  87   9.438   2.143   6.519
  706    HA   THR  87           HA       THR  87   8.608  -0.490   7.348
  707    HB   THR  87           HB       THR  87   7.695   1.860   9.013
  708    HG1  THR  87           HG1      THR  87   9.131   1.226  10.502
  709   1HG2  THR  87          2HG2      THR  87   6.049   0.042   8.702
  710   2HG2  THR  87          1HG2      THR  87   7.228  -1.106   9.339
  711   3HG2  THR  87          3HG2      THR  87   6.599   0.179  10.372
  712    H    LEU  88           H        LEU  88   6.462  -0.965   6.823
  713    HA   LEU  88           HA       LEU  88   5.182   1.016   5.065
  714   1HB   LEU  88           HB2      LEU  88   5.797  -0.959   3.866
  715   2HB   LEU  88           HB3      LEU  88   5.092  -1.991   5.090
  716    HG   LEU  88           HG       LEU  88   2.845  -1.034   4.475
  717   1HD1  LEU  88          3HD1      LEU  88   3.623   1.013   3.412
  718   2HD1  LEU  88          2HD1      LEU  88   4.405   0.068   2.145
  719   3HD1  LEU  88          1HD1      LEU  88   2.648   0.055   2.299
  720   1HD2  LEU  88          2HD2      LEU  88   3.586  -3.226   3.704
  721   2HD2  LEU  88          1HD2      LEU  88   2.610  -2.414   2.482
  722   3HD2  LEU  88          3HD2      LEU  88   4.362  -2.476   2.312
  723    H    GLU  89           H        GLU  89   4.009   2.088   6.658
  724    HA   GLU  89           HA       GLU  89   2.361   0.753   8.537
  725   1HB   GLU  89           HB2      GLU  89   2.532   3.596   7.575
  726   2HB   GLU  89           HB3      GLU  89   1.347   3.081   8.768
  727   1HG   GLU  89           HG2      GLU  89   3.068   2.380  10.255
  728   2HG   GLU  89           HG3      GLU  89   4.313   2.732   9.059
  729    H    LEU  90           H        LEU  90   0.900  -0.622   7.611
  730    HA   LEU  90           HA       LEU  90  -1.059   0.603   5.785
  731   1HB   LEU  90           HB2      LEU  90  -0.200  -2.264   6.108
  732   2HB   LEU  90           HB3      LEU  90  -1.669  -1.818   5.265
  733    HG   LEU  90           HG       LEU  90   1.145  -1.053   4.485
  734   1HD1  LEU  90          3HD1      LEU  90  -0.884  -2.909   3.258
  735   2HD1  LEU  90          2HD1      LEU  90   0.613  -2.405   2.474
  736   3HD1  LEU  90          1HD1      LEU  90   0.672  -3.346   3.963
  737   1HD2  LEU  90          2HD2      LEU  90  -1.495  -0.326   3.224
  738   2HD2  LEU  90          1HD2      LEU  90  -0.330   0.778   3.957
  739   3HD2  LEU  90          3HD2      LEU  90   0.084  -0.083   2.473
  740    H    VAL  91           H        VAL  91  -3.030   0.939   6.518
  741    HA   VAL  91           HA       VAL  91  -3.942  -0.574   8.880
  742    HB   VAL  91           HB       VAL  91  -5.330   1.788   9.033
  743   1HG1  VAL  91          3HG1      VAL  91  -2.830   0.865  10.419
  744   2HG1  VAL  91          2HG1      VAL  91  -3.706   2.315  10.907
  745   3HG1  VAL  91          1HG1      VAL  91  -4.502   0.742  10.968
  746   1HG2  VAL  91          2HG2      VAL  91  -3.923   2.803   7.297
  747   2HG2  VAL  91          1HG2      VAL  91  -3.727   3.607   8.856
  748   3HG2  VAL  91          3HG2      VAL  91  -2.490   2.485   8.282
  749    H    TYR  92           H        TYR  92  -6.373  -0.282   9.174
  750    HA   TYR  92           HA       TYR  92  -7.718  -0.576   6.570
  751   1HB   TYR  92           HB2      TYR  92  -7.611  -2.489   8.358
  752   2HB   TYR  92           HB3      TYR  92  -8.851  -1.550   9.180
  753    HD1  TYR  92           HD1      TYR  92 -10.643  -3.077   9.020
  754    HD2  TYR  92           HD2      TYR  92  -8.542  -1.924   5.503
  755    HE1  TYR  92           HE1      TYR  92 -12.372  -4.152   7.640
  756    HE2  TYR  92           HE2      TYR  92 -10.267  -2.994   4.115
  757    HH   TYR  92           HH       TYR  92 -13.259  -4.001   5.353
  758    H    THR  93           H        THR  93  -8.090   1.665   6.312
  759    HA   THR  93           HA       THR  93  -9.924   2.888   8.278
  760    HB   THR  93           HB       THR  93  -7.862   4.095   8.276
  761    HG1  THR  93           HG1      THR  93 -10.117   5.196   7.775
  762   1HG2  THR  93          2HG2      THR  93  -8.167   4.175   5.272
  763   2HG2  THR  93          1HG2      THR  93  -6.966   5.095   6.184
  764   3HG2  THR  93          3HG2      THR  93  -6.918   3.331   6.190
  765    H    ARG  94           H        ARG  94 -11.492   4.398   7.485
  766    HA   ARG  94           HA       ARG  94 -12.502   3.686   4.826
  767   1HB   ARG  94           HB2      ARG  94 -13.815   4.934   7.238
  768   2HB   ARG  94           HB3      ARG  94 -14.601   4.850   5.668
  769   1HG   ARG  94           HG2      ARG  94 -14.508   2.432   5.717
  770   2HG   ARG  94           HG3      ARG  94 -13.640   2.480   7.251
  771   1HD   ARG  94           HD2      ARG  94 -16.004   2.002   7.599
  772   2HD   ARG  94           HD3      ARG  94 -15.558   3.551   8.312
  773    HE   ARG  94           HE       ARG  94 -16.522   3.966   5.702
  774   1HH1  ARG  94          1HH1      ARG  94 -17.635   3.054   8.876
  775   2HH1  ARG  94          2HH1      ARG  94 -19.232   3.678   8.637
  776   1HH2  ARG  94          1HH2      ARG  94 -18.623   4.791   5.378
  777   2HH2  ARG  94          2HH2      ARG  94 -19.794   4.665   6.648
  778    HA   PRO  95           HA       PRO  95 -10.522   7.631   3.557
  779   1HB   PRO  95           HB2      PRO  95 -12.179   6.819   1.205
  780   2HB   PRO  95           HB3      PRO  95 -10.530   7.451   1.252
  781   1HG   PRO  95           HG2      PRO  95 -11.034   4.836   0.898
  782   2HG   PRO  95           HG3      PRO  95  -9.621   5.407   1.802
  783   1HD   PRO  95           HD2      PRO  95 -12.071   4.097   2.783
  784   2HD   PRO  95           HD3      PRO  95 -10.467   4.200   3.528
  785    H    PHE  96           H        PHE  96 -13.905   6.679   3.088
  786    HA   PHE  96           HA       PHE  96 -14.960   9.191   2.525
  787   1HB   PHE  96           HB2      PHE  96 -16.240   6.808   3.869
  788   2HB   PHE  96           HB3      PHE  96 -17.101   8.168   3.174
  789    HD1  PHE  96           HD1      PHE  96 -14.973   5.275   2.393
  790    HD2  PHE  96           HD2      PHE  96 -17.503   8.326   0.846
  791    HE1  PHE  96           HE1      PHE  96 -14.993   4.144   0.208
  792    HE2  PHE  96           HE2      PHE  96 -17.531   7.199  -1.342
  793    HZ   PHE  96           HZ       PHE  96 -16.274   5.105  -1.663
  794    H    GLU  97           H        GLU  97 -14.422   7.544   5.612
  795    HA   GLU  97           HA       GLU  97 -15.401   9.920   7.029
  796   1HB   GLU  97           HB2      GLU  97 -14.764   7.162   8.092
  797   2HB   GLU  97           HB3      GLU  97 -15.430   8.491   9.029
  798   1HG   GLU  97           HG2      GLU  97 -16.765   7.136   6.696
  799   2HG   GLU  97           HG3      GLU  97 -17.147   6.887   8.400
  800    H    GLY  98           H        GLY  98 -12.910   7.533   7.884
  801   1HA   GLY  98           HA3      GLY  98 -11.292   9.523   9.150
  802   2HA   GLY  98           HA2      GLY  98 -10.617   9.036   7.601
  803    H    ILE  99           H        ILE  99  -9.062   8.609   9.658
  804    HA   ILE  99           HA       ILE  99  -9.111   5.693   9.909
  805    HB   ILE  99           HB       ILE  99  -6.795   7.464  10.613
  806   1HG1  ILE  99          2HG1      ILE  99  -7.318   6.271   7.889
  807   2HG1  ILE  99          3HG1      ILE  99  -7.656   7.954   8.285
  808   1HG2  ILE  99          2HG2      ILE  99  -7.190   4.569   9.948
  809   2HG2  ILE  99          1HG2      ILE  99  -5.608   5.331   9.777
  810   3HG2  ILE  99          3HG2      ILE  99  -6.402   5.290  11.351
  811   1HD1  ILE  99          3HD1      ILE  99  -5.264   8.248   8.829
  812   2HD1  ILE  99          2HD1      ILE  99  -4.976   6.585   8.315
  813   3HD1  ILE  99          1HD1      ILE  99  -5.544   7.783   7.151
  814    H    LYS 100           H        LYS 100  -8.953   4.650  11.856
  815    HA   LYS 100           HA       LYS 100  -8.990   6.282  14.298
  816   1HB   LYS 100           HB2      LYS 100 -10.787   3.916  14.199
  817   2HB   LYS 100           HB3      LYS 100 -10.971   5.429  15.073
  818   1HG   LYS 100           HG2      LYS 100 -11.559   6.564  12.988
  819   2HG   LYS 100           HG3      LYS 100 -11.404   5.034  12.121
  820   1HD   LYS 100           HD2      LYS 100 -13.463   4.422  12.706
  821   2HD   LYS 100           HD3      LYS 100 -13.124   4.732  14.411
  822   1HE   LYS 100           HE2      LYS 100 -13.594   7.113  14.058
  823   2HE   LYS 100           HE3      LYS 100 -13.964   6.784  12.365
  824   1HZ   LYS 100           HZ1      LYS 100 -15.428   5.675  14.700
  825   2HZ   LYS 100           HZ3      LYS 100 -15.972   6.925  13.697
  826   3HZ   LYS 100           HZ2      LYS 100 -15.784   5.363  13.076
  827    HA   PRO 101           HA       PRO 101  -6.332   3.256  16.098
  828   1HB   PRO 101           HB2      PRO 101  -8.082   2.849  18.427
  829   2HB   PRO 101           HB3      PRO 101  -6.466   3.549  18.351
  830   1HG   PRO 101           HG2      PRO 101  -8.635   5.052  18.836
  831   2HG   PRO 101           HG3      PRO 101  -7.267   5.657  17.892
  832   1HD   PRO 101           HD2      PRO 101  -9.905   4.612  16.940
  833   2HD   PRO 101           HD3      PRO 101  -8.993   6.029  16.379
  834    H    GLU 102           H        GLU 102  -9.746   2.380  16.357
  835    HA   GLU 102           HA       GLU 102  -9.418  -0.368  16.772
  836   1HB   GLU 102           HB2      GLU 102 -11.748  -0.560  15.932
  837   2HB   GLU 102           HB3      GLU 102 -11.543   0.668  17.176
  838   1HG   GLU 102           HG2      GLU 102 -11.467   2.389  15.467
  839   2HG   GLU 102           HG3      GLU 102 -11.663   1.163  14.218
  840    H    ASN 103           H        ASN 103  -8.868   1.522  14.002
  841    HA   ASN 103           HA       ASN 103  -9.469  -0.230  11.918
  842   1HB   ASN 103           HB2      ASN 103  -7.285   1.842  12.156
  843   2HB   ASN 103           HB3      ASN 103  -7.687   1.012  10.657
  844   1HD2  ASN 103          1HD2      ASN 103 -10.196   1.802  12.905
  845   2HD2  ASN 103          2HD2      ASN 103 -10.891   3.092  11.993
  846    H    GLU 104           H        GLU 104  -8.494  -1.987  11.063
  847    HA   GLU 104           HA       GLU 104  -6.742  -3.532  12.535
  848   1HB   GLU 104           HB2      GLU 104  -7.974  -3.623   9.930
  849   2HB   GLU 104           HB3      GLU 104  -6.334  -4.235   9.862
  850   1HG   GLU 104           HG2      GLU 104  -7.623  -6.112  10.314
  851   2HG   GLU 104           HG3      GLU 104  -6.977  -5.651  11.885
  852    H    ARG 105           H        ARG 105  -4.537  -4.162  12.020
  853    HA   ARG 105           HA       ARG 105  -2.973  -1.896  10.971
  854   1HB   ARG 105           HB2      ARG 105  -2.803  -2.177  13.429
  855   2HB   ARG 105           HB3      ARG 105  -2.199  -3.804  13.182
  856   1HG   ARG 105           HG2      ARG 105  -0.161  -2.900  13.283
  857   2HG   ARG 105           HG3      ARG 105  -0.498  -2.294  11.655
  858   1HD   ARG 105           HD2      ARG 105   0.263  -0.497  13.104
  859   2HD   ARG 105           HD3      ARG 105  -1.404  -0.238  12.584
  860    HE   ARG 105           HE       ARG 105  -1.527  -1.570  15.005
  861   1HH1  ARG 105          1HH1      ARG 105  -0.326   1.476  13.811
  862   2HH1  ARG 105          2HH1      ARG 105  -0.585   2.312  15.306
  863   1HH2  ARG 105          1HH2      ARG 105  -1.871  -0.477  16.977
  864   2HH2  ARG 105          2HH2      ARG 105  -1.463   1.201  17.106
  865    H    TYR 106           H        TYR 106  -0.910  -2.416  10.061
  866    HA   TYR 106           HA       TYR 106   0.011  -5.026   9.583
  867   1HB   TYR 106           HB2      TYR 106  -1.982  -5.009   8.053
  868   2HB   TYR 106           HB3      TYR 106  -1.210  -3.707   7.149
  869    HD1  TYR 106           HD1      TYR 106  -1.050  -7.269   8.035
  870    HD2  TYR 106           HD2      TYR 106   0.640  -4.162   5.677
  871    HE1  TYR 106           HE1      TYR 106   0.156  -8.946   6.706
  872    HE2  TYR 106           HE2      TYR 106   1.852  -5.828   4.340
  873    HH   TYR 106           HH       TYR 106   1.166  -9.152   4.478
  874    H    THR 107           H        THR 107   1.581  -3.522  10.585
  875    HA   THR 107           HA       THR 107   2.875  -1.669   8.748
  876    HB   THR 107           HB       THR 107   4.165  -2.076  11.343
  877    HG1  THR 107           HG1      THR 107   2.458  -1.238  12.561
  878   1HG2  THR 107          2HG2      THR 107   4.421  -0.166   9.659
  879   2HG2  THR 107          1HG2      THR 107   2.874   0.417  10.268
  880   3HG2  THR 107          3HG2      THR 107   4.253   0.275  11.358
  881    H    LEU 108           H        LEU 108   4.000  -2.866   7.266
  882    HA   LEU 108           HA       LEU 108   5.615  -5.108   8.063
  883   1HB   LEU 108           HB2      LEU 108   4.656  -5.243   5.900
  884   2HB   LEU 108           HB3      LEU 108   5.242  -3.657   5.457
  885    HG   LEU 108           HG       LEU 108   7.523  -4.474   5.349
  886   1HD1  LEU 108          3HD1      LEU 108   6.380  -7.135   6.183
  887   2HD1  LEU 108          2HD1      LEU 108   8.042  -6.840   5.674
  888   3HD1  LEU 108          1HD1      LEU 108   7.430  -6.102   7.154
  889   1HD2  LEU 108          2HD2      LEU 108   6.054  -4.714   3.378
  890   2HD2  LEU 108          1HD2      LEU 108   7.334  -5.926   3.443
  891   3HD2  LEU 108          3HD2      LEU 108   5.685  -6.361   3.892
  892    H    HIS 109           H        HIS 109   7.147  -4.394   9.491
  893    HA   HIS 109           HA       HIS 109   8.812  -2.130   8.921
  894   1HB   HIS 109           HB2      HIS 109   8.758  -4.208  11.066
  895   2HB   HIS 109           HB3      HIS 109  10.137  -3.131  10.907
  896    HD1  HIS 109           HD1      HIS 109   9.875  -0.782  11.795
  897    HD2  HIS 109           HD2      HIS 109   6.300  -2.900  11.733
  898    HE1  HIS 109           HE1      HIS 109   8.227   0.647  13.045
  899    HE2  HIS 109           HE2      HIS 109   6.047  -0.612  12.913
  900    H    LEU 110           H        LEU 110  10.920  -2.108   8.285
  901    HA   LEU 110           HA       LEU 110  12.221  -4.582   7.493
  902   1HB   LEU 110           HB2      LEU 110  11.613  -2.349   5.555
  903   2HB   LEU 110           HB3      LEU 110  12.665  -3.708   5.213
  904    HG   LEU 110           HG       LEU 110   9.715  -3.937   5.833
  905   1HD1  LEU 110          2HD1      LEU 110  11.163  -4.028   3.191
  906   2HD1  LEU 110          1HD1      LEU 110   9.458  -4.407   3.438
  907   3HD1  LEU 110          3HD1      LEU 110  10.050  -2.771   3.732
  908   1HD2  LEU 110          1HD2      LEU 110  11.069  -5.916   6.402
  909   2HD2  LEU 110          3HD2      LEU 110   9.936  -6.218   5.084
  910   3HD2  LEU 110          2HD2      LEU 110  11.647  -5.971   4.738
  911    H    ASN 111           H        ASN 111  14.135  -4.376   8.493
  912    HA   ASN 111           HA       ASN 111  15.387  -1.786   8.805
  913   1HB   ASN 111           HB2      ASN 111  15.519  -3.425  10.634
  914   2HB   ASN 111           HB3      ASN 111  16.359  -4.550   9.575
  915   1HD2  ASN 111          1HD2      ASN 111  18.167  -4.641  10.875
  916   2HD2  ASN 111          2HD2      ASN 111  19.279  -3.327  11.014
  917    H    VAL 112           H        VAL 112  15.297  -1.683   6.375
  918    HA   VAL 112           HA       VAL 112  16.657  -3.140   4.551
  919    HB   VAL 112           HB       VAL 112  16.971  -0.161   4.452
  920   1HG1  VAL 112          1HG1      VAL 112  17.834  -1.551   2.623
  921   2HG1  VAL 112          3HG1      VAL 112  16.216  -2.212   2.378
  922   3HG1  VAL 112          2HG1      VAL 112  16.521  -0.497   2.091
  923   1HG2  VAL 112          1HG2      VAL 112  14.389  -1.688   4.185
  924   2HG2  VAL 112          3HG2      VAL 112  14.749  -0.352   5.279
  925   3HG2  VAL 112          2HG2      VAL 112  14.632  -0.063   3.545
  926    H    LYS 113           H        LYS 113  18.718  -3.523   3.944
  927    HA   LYS 113           HA       LYS 113  20.822  -2.877   5.777
  928   1HB   LYS 113           HB2      LYS 113  20.846  -4.308   3.115
  929   2HB   LYS 113           HB3      LYS 113  22.237  -4.167   4.182
  930   1HG   LYS 113           HG2      LYS 113  19.641  -5.467   4.962
  931   2HG   LYS 113           HG3      LYS 113  21.045  -6.335   4.340
  932   1HD   LYS 113           HD2      LYS 113  22.385  -5.531   6.216
  933   2HD   LYS 113           HD3      LYS 113  20.993  -4.637   6.834
  934   1HE   LYS 113           HE2      LYS 113  21.281  -6.736   8.032
  935   2HE   LYS 113           HE3      LYS 113  19.771  -6.729   7.122
  936   1HZ   LYS 113           HZ1      LYS 113  22.293  -8.049   6.274
  937   2HZ   LYS 113           HZ3      LYS 113  20.928  -8.834   6.894
  938   3HZ   LYS 113           HZ2      LYS 113  20.844  -8.043   5.402

  No H/Q in entry =         938
  Start of MODEL   11
    1    H1   GLY  -2           HT2      GLY  -2  -6.635 -19.936  26.465
    2    H2   GLY  -2           HT1      GLY  -2  -7.604 -19.713  25.098
    3    H3   GLY  -2           HT3      GLY  -2  -8.002 -20.904  26.231
    4   1HA   GLY  -2           HA2      GLY  -2  -7.012 -21.907  24.278
    5   2HA   GLY  -2           HA3      GLY  -2  -6.006 -22.142  25.700
    6    H    SER  -1           H        SER  -1  -4.943 -22.406  23.183
    7    HA   SER  -1           HA       SER  -1  -3.480 -19.915  22.685
    8   1HB   SER  -1           HB2      SER  -1  -2.180 -22.617  23.111
    9   2HB   SER  -1           HB3      SER  -1  -1.343 -21.154  22.592
   10    HG   SER  -1           HG       SER  -1  -1.519 -20.327  24.562
   11    H    HIS   0           H        HIS   0  -3.529 -23.310  21.579
   12    HA   HIS   0           HA       HIS   0  -3.002 -22.613  18.873
   13   1HB   HIS   0           HB2      HIS   0  -4.072 -25.185  20.055
   14   2HB   HIS   0           HB3      HIS   0  -3.499 -24.993  18.401
   15    HD1  HIS   0           HD1      HIS   0  -1.035 -25.240  18.004
   16    HD2  HIS   0           HD2      HIS   0  -1.981 -24.928  22.038
   17    HE1  HIS   0           HE1      HIS   0   1.102 -25.729  19.235
   18    HE2  HIS   0           HE2      HIS   0   0.525 -25.451  21.672
   19    H    MET   1           H        MET   1  -4.388 -21.609  17.587
   20    HA   MET   1           HA       MET   1  -7.266 -22.053  17.957
   21   1HB   MET   1           HB2      MET   1  -5.825 -19.870  16.441
   22   2HB   MET   1           HB3      MET   1  -7.566 -19.991  16.648
   23   1HG   MET   1           HG2      MET   1  -7.308 -19.726  19.055
   24   2HG   MET   1           HG3      MET   1  -5.559 -19.627  18.861
   25   1HE   MET   1           HE3      MET   1  -8.329 -18.088  16.526
   26   2HE   MET   1           HE2      MET   1  -9.007 -17.893  18.143
   27   3HE   MET   1           HE1      MET   1  -8.505 -16.477  17.220
   28    H    ILE   2           H        ILE   2  -8.452 -23.073  16.464
   29    HA   ILE   2           HA       ILE   2  -7.104 -24.200  14.160
   30    HB   ILE   2           HB       ILE   2  -9.216 -25.430  13.793
   31   1HG1  ILE   2          2HG1      ILE   2 -10.140 -24.045  16.322
   32   2HG1  ILE   2          3HG1      ILE   2 -10.727 -23.676  14.704
   33   1HG2  ILE   2          1HG2      ILE   2  -7.472 -26.373  15.207
   34   2HG2  ILE   2          3HG2      ILE   2  -8.159 -25.563  16.615
   35   3HG2  ILE   2          2HG2      ILE   2  -9.071 -26.831  15.795
   36   1HD1  ILE   2          2HD1      ILE   2 -11.610 -25.946  14.512
   37   2HD1  ILE   2          1HD1      ILE   2 -11.037 -26.299  16.141
   38   3HD1  ILE   2          3HD1      ILE   2 -12.292 -25.086  15.893
   39    H    ALA   3           H        ALA   3  -8.897 -21.431  14.820
   40    HA   ALA   3           HA       ALA   3  -9.011 -20.731  12.032
   41   1HB   ALA   3           HB2      ALA   3 -11.083 -22.014  12.254
   42   2HB   ALA   3           HB3      ALA   3 -11.410 -20.311  11.940
   43   3HB   ALA   3           HB1      ALA   3 -11.596 -20.959  13.569
   44    HA   PRO   4           HA       PRO   4  -8.287 -16.681  13.624
   45   1HB   PRO   4           HB2      PRO   4 -10.167 -15.691  11.549
   46   2HB   PRO   4           HB3      PRO   4  -8.483 -15.247  11.847
   47   1HG   PRO   4           HG2      PRO   4  -9.142 -16.791   9.775
   48   2HG   PRO   4           HG3      PRO   4  -7.658 -17.087  10.701
   49   1HD   PRO   4           HD2      PRO   4 -10.271 -18.541  10.784
   50   2HD   PRO   4           HD3      PRO   4  -8.619 -19.183  10.890
   51    H    LEU   5           H        LEU   5  -9.267 -14.998  14.807
   52    HA   LEU   5           HA       LEU   5 -12.133 -14.890  15.097
   53   1HB   LEU   5           HB2      LEU   5 -11.575 -16.775  16.558
   54   2HB   LEU   5           HB3      LEU   5 -10.410 -15.781  17.411
   55    HG   LEU   5           HG       LEU   5 -12.278 -14.307  18.152
   56   1HD1  LEU   5          1HD1      LEU   5 -13.852 -14.795  16.356
   57   2HD1  LEU   5          3HD1      LEU   5 -14.007 -16.454  16.933
   58   3HD1  LEU   5          2HD1      LEU   5 -14.570 -15.116  17.935
   59   1HD2  LEU   5          3HD2      LEU   5 -12.534 -17.221  18.881
   60   2HD2  LEU   5          2HD2      LEU   5 -11.419 -16.062  19.604
   61   3HD2  LEU   5          1HD2      LEU   5 -13.158 -15.864  19.818
   62    H    SER   6           H        SER   6  -9.181 -14.030  16.914
   63    HA   SER   6           HA       SER   6  -9.918 -11.205  16.638
   64   1HB   SER   6           HB2      SER   6  -9.112 -12.526  19.241
   65   2HB   SER   6           HB3      SER   6  -9.347 -10.794  19.006
   66    HG   SER   6           HG       SER   6 -11.312 -11.297  19.609
   67    H    VAL   7           H        VAL   7  -7.613 -13.641  16.485
   68    HA   VAL   7           HA       VAL   7  -5.353 -11.795  16.768
   69    HB   VAL   7           HB       VAL   7  -5.279 -14.783  16.335
   70   1HG1  VAL   7          3HG1      VAL   7  -3.241 -13.633  15.652
   71   2HG1  VAL   7          2HG1      VAL   7  -3.149 -12.840  17.225
   72   3HG1  VAL   7          1HG1      VAL   7  -2.962 -14.589  17.107
   73   1HG2  VAL   7          2HG2      VAL   7  -5.070 -13.212  18.901
   74   2HG2  VAL   7          1HG2      VAL   7  -6.389 -14.285  18.435
   75   3HG2  VAL   7          3HG2      VAL   7  -4.782 -14.944  18.735
   76    H    LYS   8           H        LYS   8  -4.401 -10.937  15.041
   77    HA   LYS   8           HA       LYS   8  -4.444 -12.337  12.489
   78   1HB   LYS   8           HB2      LYS   8  -5.311  -9.458  12.765
   79   2HB   LYS   8           HB3      LYS   8  -5.175 -10.363  11.271
   80   1HG   LYS   8           HG2      LYS   8  -7.064 -11.107  13.486
   81   2HG   LYS   8           HG3      LYS   8  -7.503 -10.070  12.127
   82   1HD   LYS   8           HD2      LYS   8  -6.940 -11.877  10.571
   83   2HD   LYS   8           HD3      LYS   8  -6.512 -12.913  11.933
   84   1HE   LYS   8           HE2      LYS   8  -9.235 -11.734  11.391
   85   2HE   LYS   8           HE3      LYS   8  -8.758 -13.407  11.107
   86   1HZ   LYS   8           HZ3      LYS   8  -8.818 -12.055  13.751
   87   2HZ   LYS   8           HZ2      LYS   8  -9.957 -13.172  13.187
   88   3HZ   LYS   8           HZ1      LYS   8  -8.364 -13.662  13.476
   89    H    ASP   9           H        ASP   9  -2.447 -12.362  11.758
   90    HA   ASP   9           HA       ASP   9  -0.355 -10.884  12.935
   91   1HB   ASP   9           HB2      ASP   9  -0.025 -13.084  11.843
   92   2HB   ASP   9           HB3      ASP   9  -0.354 -12.338  10.282
   93    H    ASN  10           H        ASN  10   0.226  -8.843  12.605
   94    HA   ASN  10           HA       ASN  10  -0.452  -7.596  10.041
   95   1HB   ASN  10           HB2      ASN  10  -0.504  -5.450  11.560
   96   2HB   ASN  10           HB3      ASN  10  -1.918  -6.474  11.396
   97   1HD2  ASN  10          1HD2      ASN  10  -1.134  -4.634  13.501
   98   2HD2  ASN  10          2HD2      ASN  10  -1.088  -5.566  14.949
   99    H    ASP  11           H        ASP  11   1.168  -5.956  12.610
  100    HA   ASP  11           HA       ASP  11   3.267  -5.057  11.025
  101   1HB   ASP  11           HB2      ASP  11   4.338  -4.614  13.368
  102   2HB   ASP  11           HB3      ASP  11   2.896  -3.730  12.880
  103    H    LYS  12           H        LYS  12   4.418  -6.585   9.996
  104    HA   LYS  12           HA       LYS  12   5.633  -8.747  11.524
  105   1HB   LYS  12           HB2      LYS  12   6.409  -9.545   9.282
  106   2HB   LYS  12           HB3      LYS  12   4.664  -9.438   9.456
  107   1HG   LYS  12           HG2      LYS  12   4.587  -7.426   8.175
  108   2HG   LYS  12           HG3      LYS  12   6.349  -7.328   8.140
  109   1HD   LYS  12           HD2      LYS  12   4.770  -9.613   6.964
  110   2HD   LYS  12           HD3      LYS  12   5.296  -8.207   6.036
  111   1HE   LYS  12           HE2      LYS  12   7.628  -8.720   6.605
  112   2HE   LYS  12           HE3      LYS  12   7.090 -10.138   7.503
  113   1HZ   LYS  12           HZ1      LYS  12   6.193 -11.051   5.452
  114   2HZ   LYS  12           HZ3      LYS  12   6.718  -9.692   4.591
  115   3HZ   LYS  12           HZ2      LYS  12   7.847 -10.736   5.294
  116    H    TRP  13           H        TRP  13   6.913  -7.199  12.710
  117    HA   TRP  13           HA       TRP  13   8.820  -5.475  11.786
  118   1HB   TRP  13           HB2      TRP  13   9.390  -7.221  14.152
  119   2HB   TRP  13           HB3      TRP  13   9.663  -5.495  13.947
  120    HD1  TRP  13           HD1      TRP  13   6.840  -7.992  14.702
  121    HE1  TRP  13           HE1      TRP  13   4.878  -6.729  15.783
  122    HE3  TRP  13           HE3      TRP  13   8.621  -3.214  14.295
  123    HZ2  TRP  13           HZ2      TRP  13   4.161  -4.059  16.378
  124    HZ3  TRP  13           HZ3      TRP  13   7.243  -1.369  15.159
  125    HH2  TRP  13           HH2      TRP  13   5.067  -1.784  16.183
  126    H    VAL  14           H        VAL  14  10.190  -5.946  10.121
  127    HA   VAL  14           HA       VAL  14  12.106  -8.119  10.584
  128    HB   VAL  14           HB       VAL  14  11.860  -9.031   8.317
  129   1HG1  VAL  14          2HG1      VAL  14   9.323  -9.111   9.943
  130   2HG1  VAL  14          1HG1      VAL  14   9.775 -10.265   8.689
  131   3HG1  VAL  14          3HG1      VAL  14  10.736 -10.142  10.163
  132   1HG2  VAL  14          2HG2      VAL  14   9.467  -7.207   8.161
  133   2HG2  VAL  14          1HG2      VAL  14  10.925  -7.130   7.173
  134   3HG2  VAL  14          3HG2      VAL  14   9.824  -8.499   7.016
  135    H    ASP  15           H        ASP  15  13.512  -8.218   8.402
  136    HA   ASP  15           HA       ASP  15  14.542  -5.486   8.044
  137   1HB   ASP  15           HB2      ASP  15  15.807  -8.182   8.238
  138   2HB   ASP  15           HB3      ASP  15  16.622  -6.940   7.288
  139    H    THR  16           H        THR  16  16.030  -5.556   5.872
  140    HA   THR  16           HA       THR  16  15.111  -7.042   3.668
  141    HB   THR  16           HB       THR  16  13.081  -5.534   4.233
  142    HG1  THR  16           HG1      THR  16  12.660  -6.255   2.292
  143   1HG2  THR  16          2HG2      THR  16  14.414  -3.451   4.449
  144   2HG2  THR  16          1HG2      THR  16  14.765  -3.540   2.724
  145   3HG2  THR  16          3HG2      THR  16  13.104  -3.322   3.275
  146    H    HIS  17           H        HIS  17  15.479  -5.501   1.538
  147    HA   HIS  17           HA       HIS  17  18.064  -4.149   1.943
  148   1HB   HIS  17           HB2      HIS  17  17.296  -5.840  -0.446
  149   2HB   HIS  17           HB3      HIS  17  18.838  -5.034  -0.189
  150    HD1  HIS  17           HD1      HIS  17  20.586  -6.281   1.103
  151    HD2  HIS  17           HD2      HIS  17  16.838  -8.056   1.361
  152    HE1  HIS  17           HE1      HIS  17  20.964  -8.485   2.254
  153    HE2  HIS  17           HE2      HIS  17  18.670  -9.499   2.482
  154    H    VAL  18           H        VAL  18  18.531  -2.985  -0.401
  155    HA   VAL  18           HA       VAL  18  16.593  -0.895  -0.467
  156    HB   VAL  18           HB       VAL  18  18.962  -0.425  -0.832
  157   1HG1  VAL  18          1HG1      VAL  18  19.579  -2.446  -2.040
  158   2HG1  VAL  18          3HG1      VAL  18  18.612  -1.930  -3.422
  159   3HG1  VAL  18          2HG1      VAL  18  20.041  -1.009  -2.953
  160   1HG2  VAL  18          1HG2      VAL  18  17.280   1.120  -1.712
  161   2HG2  VAL  18          3HG2      VAL  18  18.720   1.088  -2.731
  162   3HG2  VAL  18          2HG2      VAL  18  17.263   0.234  -3.237
  163    H    GLY  19           H        GLY  19  15.049  -0.406  -1.884
  164   1HA   GLY  19           HA3      GLY  19  14.749  -1.293  -4.507
  165   2HA   GLY  19           HA2      GLY  19  13.461  -0.679  -3.494
  166    H    LYS  20           H        LYS  20  14.285  -3.110  -1.652
  167    HA   LYS  20           HA       LYS  20  13.617  -5.454  -2.997
  168   1HB   LYS  20           HB2      LYS  20  14.389  -4.921  -0.490
  169   2HB   LYS  20           HB3      LYS  20  12.677  -5.138  -0.197
  170   1HG   LYS  20           HG2      LYS  20  13.566  -7.243   0.159
  171   2HG   LYS  20           HG3      LYS  20  12.932  -7.335  -1.490
  172   1HD   LYS  20           HD2      LYS  20  15.061  -7.125  -2.437
  173   2HD   LYS  20           HD3      LYS  20  15.749  -6.527  -0.929
  174   1HE   LYS  20           HE2      LYS  20  15.437  -8.735   0.087
  175   2HE   LYS  20           HE3      LYS  20  14.738  -9.329  -1.418
  176   1HZ   LYS  20           HZ1      LYS  20  16.845  -8.904  -2.523
  177   2HZ   LYS  20           HZ3      LYS  20  17.516  -8.335  -1.077
  178   3HZ   LYS  20           HZ2      LYS  20  17.058  -9.957  -1.217
  179    H    THR  21           H        THR  21  11.934  -4.913  -4.442
  180    HA   THR  21           HA       THR  21   9.487  -3.772  -3.766
  181    HB   THR  21           HB       THR  21   9.737  -5.891  -5.888
  182    HG1  THR  21           HG1      THR  21  11.497  -4.502  -6.189
  183   1HG2  THR  21          2HG2      THR  21   7.515  -4.921  -5.445
  184   2HG2  THR  21          1HG2      THR  21   8.169  -3.312  -5.748
  185   3HG2  THR  21          3HG2      THR  21   8.109  -4.500  -7.051
  186    H    THR  22           H        THR  22   8.650  -4.582  -1.875
  187    HA   THR  22           HA       THR  22   8.093  -7.426  -1.656
  188    HB   THR  22           HB       THR  22   7.518  -5.148   0.254
  189    HG1  THR  22           HG1      THR  22   9.767  -5.806  -0.093
  190   1HG2  THR  22          2HG2      THR  22   5.914  -6.973   0.554
  191   2HG2  THR  22          1HG2      THR  22   7.242  -8.128   0.668
  192   3HG2  THR  22          3HG2      THR  22   7.040  -6.892   1.910
  193    H    GLU  23           H        GLU  23   6.486  -8.053  -2.922
  194    HA   GLU  23           HA       GLU  23   4.121  -6.461  -3.310
  195   1HB   GLU  23           HB2      GLU  23   5.126  -7.755  -5.149
  196   2HB   GLU  23           HB3      GLU  23   4.832  -9.240  -4.256
  197   1HG   GLU  23           HG2      GLU  23   2.475  -8.978  -4.438
  198   2HG   GLU  23           HG3      GLU  23   2.662  -7.347  -5.080
  199    H    ILE  24           H        ILE  24   2.276  -6.663  -2.235
  200    HA   ILE  24           HA       ILE  24   1.817  -9.105  -0.674
  201    HB   ILE  24           HB       ILE  24   1.291  -6.314   0.320
  202   1HG1  ILE  24          2HG1      ILE  24   3.410  -8.320   1.111
  203   2HG1  ILE  24          3HG1      ILE  24   3.685  -6.789   0.290
  204   1HG2  ILE  24          3HG2      ILE  24  -0.316  -8.001   1.099
  205   2HG2  ILE  24          2HG2      ILE  24   1.020  -8.975   1.713
  206   3HG2  ILE  24          1HG2      ILE  24   0.690  -7.391   2.415
  207   1HD1  ILE  24          3HD1      ILE  24   2.621  -7.118   3.083
  208   2HD1  ILE  24          2HD1      ILE  24   4.260  -6.645   2.639
  209   3HD1  ILE  24          1HD1      ILE  24   2.903  -5.586   2.257
  210    H    HIS  25           H        HIS  25   0.134  -9.983  -1.675
  211    HA   HIS  25           HA       HIS  25  -2.044  -8.357  -2.679
  212   1HB   HIS  25           HB2      HIS  25  -2.004 -11.365  -2.579
  213   2HB   HIS  25           HB3      HIS  25  -2.854 -10.318  -3.702
  214    HD1  HIS  25           HD1      HIS  25  -0.050 -12.467  -3.592
  215    HD2  HIS  25           HD2      HIS  25  -0.812  -8.779  -5.347
  216    HE1  HIS  25           HE1      HIS  25   1.663 -12.224  -5.417
  217    HE2  HIS  25           HE2      HIS  25   1.106 -10.039  -6.539
  218    H    LEU  26           H        LEU  26  -3.006  -7.505  -0.855
  219    HA   LEU  26           HA       LEU  26  -3.786  -9.247   1.333
  220   1HB   LEU  26           HB2      LEU  26  -4.340  -6.319   0.901
  221   2HB   LEU  26           HB3      LEU  26  -4.624  -7.206   2.383
  222    HG   LEU  26           HG       LEU  26  -1.860  -7.001   1.228
  223   1HD1  LEU  26          3HD1      LEU  26  -2.692  -4.718   1.406
  224   2HD1  LEU  26          2HD1      LEU  26  -3.188  -5.019   3.071
  225   3HD1  LEU  26          1HD1      LEU  26  -1.477  -5.044   2.642
  226   1HD2  LEU  26          3HD2      LEU  26  -2.400  -8.625   3.055
  227   2HD2  LEU  26          2HD2      LEU  26  -1.160  -7.441   3.466
  228   3HD2  LEU  26          1HD2      LEU  26  -2.803  -7.246   4.080
  229    H    LYS  27           H        LYS  27  -5.898  -9.719   1.903
  230    HA   LYS  27           HA       LYS  27  -7.820  -9.434  -0.289
  231   1HB   LYS  27           HB2      LYS  27  -8.134 -11.202   2.126
  232   2HB   LYS  27           HB3      LYS  27  -8.977 -11.309   0.589
  233   1HG   LYS  27           HG2      LYS  27  -6.777 -11.846  -0.483
  234   2HG   LYS  27           HG3      LYS  27  -6.094 -11.959   1.140
  235   1HD   LYS  27           HD2      LYS  27  -8.504 -13.553   0.325
  236   2HD   LYS  27           HD3      LYS  27  -6.862 -14.129   0.034
  237   1HE   LYS  27           HE2      LYS  27  -7.598 -15.085   2.085
  238   2HE   LYS  27           HE3      LYS  27  -6.417 -13.838   2.478
  239   1HZ   LYS  27           HZ1      LYS  27  -9.350 -13.402   2.553
  240   2HZ   LYS  27           HZ3      LYS  27  -8.431 -13.839   3.904
  241   3HZ   LYS  27           HZ2      LYS  27  -8.144 -12.364   3.130
  242    H    GLY  28           H        GLY  28 -10.117  -9.130   0.343
  243   1HA   GLY  28           HA3      GLY  28 -10.369  -6.736   1.840
  244   2HA   GLY  28           HA2      GLY  28 -10.957  -8.097   2.778
  245    H    ASN  29           H        ASN  29 -12.261  -5.704   1.453
  246    HA   ASN  29           HA       ASN  29 -13.877  -6.589  -0.677
  247   1HB   ASN  29           HB2      ASN  29 -14.762  -8.092   1.109
  248   2HB   ASN  29           HB3      ASN  29 -15.245  -6.665   2.020
  249   1HD2  ASN  29          1HD2      ASN  29 -17.406  -7.214   1.968
  250   2HD2  ASN  29          2HD2      ASN  29 -18.358  -7.099   0.531
  251    HA   PRO  30           HA       PRO  30 -13.674  -2.022  -0.140
  252   1HB   PRO  30           HB2      PRO  30 -14.663  -2.310  -2.933
  253   2HB   PRO  30           HB3      PRO  30 -13.390  -1.266  -2.291
  254   1HG   PRO  30           HG2      PRO  30 -12.776  -3.452  -3.674
  255   2HG   PRO  30           HG3      PRO  30 -11.827  -2.984  -2.250
  256   1HD   PRO  30           HD2      PRO  30 -13.887  -5.125  -2.540
  257   2HD   PRO  30           HD3      PRO  30 -12.383  -5.126  -1.600
  258    H    THR  31           H        THR  31 -16.258  -4.167  -0.984
  259    HA   THR  31           HA       THR  31 -18.276  -2.102  -1.062
  260    HB   THR  31           HB       THR  31 -19.883  -3.911  -1.309
  261    HG1  THR  31           HG1      THR  31 -18.391  -6.056  -1.528
  262   1HG2  THR  31          1HG2      THR  31 -17.406  -4.365  -2.974
  263   2HG2  THR  31          3HG2      THR  31 -19.032  -4.910  -3.382
  264   3HG2  THR  31          2HG2      THR  31 -18.674  -3.185  -3.304
  265    H    THR  32           H        THR  32 -16.544  -2.941   1.422
  266    HA   THR  32           HA       THR  32 -18.722  -3.456   3.309
  267    HB   THR  32           HB       THR  32 -16.920  -3.713   5.002
  268    HG1  THR  32           HG1      THR  32 -14.805  -4.049   3.495
  269   1HG2  THR  32          2HG2      THR  32 -16.608  -5.402   2.518
  270   2HG2  THR  32          1HG2      THR  32 -16.036  -5.835   4.130
  271   3HG2  THR  32          3HG2      THR  32 -17.765  -5.670   3.822
  272    H    GLY  33           H        GLY  33 -15.858  -1.315   3.275
  273   1HA   GLY  33           HA3      GLY  33 -17.156   0.533   5.072
  274   2HA   GLY  33           HA2      GLY  33 -17.026   1.129   3.425
  275    H    TYR  34           H        TYR  34 -14.578  -0.969   4.740
  276    HA   TYR  34           HA       TYR  34 -12.839   1.324   5.279
  277   1HB   TYR  34           HB2      TYR  34 -12.564  -1.603   5.965
  278   2HB   TYR  34           HB3      TYR  34 -11.307  -0.410   6.274
  279    HD1  TYR  34           HD1      TYR  34 -14.887  -1.133   7.008
  280    HD2  TYR  34           HD2      TYR  34 -11.294   0.757   8.304
  281    HE1  TYR  34           HE1      TYR  34 -15.949  -0.601   9.160
  282    HE2  TYR  34           HE2      TYR  34 -12.352   1.287  10.459
  283    HH   TYR  34           HH       TYR  34 -14.609   1.583  11.382
  284    H    MET  35           H        MET  35 -10.383   0.499   4.835
  285    HA   MET  35           HA       MET  35 -10.104  -0.644   2.194
  286   1HB   MET  35           HB2      MET  35 -10.254   1.492   1.358
  287   2HB   MET  35           HB3      MET  35  -9.744   2.227   2.872
  288   1HG   MET  35           HG2      MET  35  -7.437   1.466   2.414
  289   2HG   MET  35           HG3      MET  35  -7.988   0.877   0.862
  290   1HE   MET  35           HE1      MET  35 -10.079   3.041  -0.013
  291   2HE   MET  35           HE3      MET  35  -9.106   4.208  -0.910
  292   3HE   MET  35           HE2      MET  35  -8.845   2.481  -1.141
  293    H    TRP  36           H        TRP  36  -7.977  -1.299   1.767
  294    HA   TRP  36           HA       TRP  36  -6.243  -1.361   4.136
  295   1HB   TRP  36           HB2      TRP  36  -6.897  -3.317   2.057
  296   2HB   TRP  36           HB3      TRP  36  -5.178  -3.164   2.375
  297    HD1  TRP  36           HD1      TRP  36  -7.969  -5.169   3.441
  298    HE1  TRP  36           HE1      TRP  36  -7.597  -6.177   5.781
  299    HE3  TRP  36           HE3      TRP  36  -4.063  -2.254   4.959
  300    HZ2  TRP  36           HZ2      TRP  36  -5.870  -5.782   7.981
  301    HZ3  TRP  36           HZ3      TRP  36  -3.105  -2.630   7.188
  302    HH2  TRP  36           HH2      TRP  36  -3.993  -4.357   8.669
  303    H    THR  37           H        THR  37  -5.280   0.647   3.806
  304    HA   THR  37           HA       THR  37  -3.388   0.705   1.552
  305    HB   THR  37           HB       THR  37  -5.379   2.161   1.067
  306    HG1  THR  37           HG1      THR  37  -2.991   2.564   0.479
  307   1HG2  THR  37          3HG2      THR  37  -4.280   3.767   3.383
  308   2HG2  THR  37          2HG2      THR  37  -5.545   4.298   2.274
  309   3HG2  THR  37          1HG2      THR  37  -5.829   2.925   3.344
  310    H    ARG  38           H        ARG  38  -2.105   3.082   2.106
  311    HA   ARG  38           HA       ARG  38  -0.538   2.359   4.392
  312   1HB   ARG  38           HB2      ARG  38  -0.342   4.243   2.164
  313   2HB   ARG  38           HB3      ARG  38   0.267   4.899   3.674
  314   1HG   ARG  38           HG2      ARG  38   2.126   3.691   3.542
  315   2HG   ARG  38           HG3      ARG  38   1.221   2.211   3.238
  316   1HD   ARG  38           HD2      ARG  38   2.145   4.250   1.230
  317   2HD   ARG  38           HD3      ARG  38   2.623   2.575   1.351
  318    HE   ARG  38           HE       ARG  38   0.304   3.589   0.048
  319   1HH1  ARG  38          1HH1      ARG  38   1.656   0.821   1.667
  320   2HH1  ARG  38          2HH1      ARG  38   0.514  -0.294   0.996
  321   1HH2  ARG  38          1HH2      ARG  38  -1.225   2.121  -0.822
  322   2HH2  ARG  38          2HH2      ARG  38  -1.117   0.442  -0.414
  323    H    VAL  39           H        VAL  39  -0.079   3.799   6.205
  324    HA   VAL  39           HA       VAL  39  -2.506   4.898   7.299
  325    HB   VAL  39           HB       VAL  39   0.290   4.791   8.447
  326   1HG1  VAL  39          3HG1      VAL  39  -2.320   5.549   9.758
  327   2HG1  VAL  39          2HG1      VAL  39  -0.790   5.304  10.600
  328   3HG1  VAL  39          1HG1      VAL  39  -0.956   6.621   9.439
  329   1HG2  VAL  39          1HG2      VAL  39  -0.940   2.615   8.026
  330   2HG2  VAL  39          3HG2      VAL  39  -0.400   2.903   9.681
  331   3HG2  VAL  39          2HG2      VAL  39  -2.095   3.144   9.249
  332    H    GLY  40           H        GLY  40  -3.051   7.002   7.535
  333   1HA   GLY  40           HA3      GLY  40  -1.159   9.140   7.381
  334   2HA   GLY  40           HA2      GLY  40  -2.909   9.302   7.416
  335    H    PHE  41           H        PHE  41  -1.909   7.174   5.024
  336    HA   PHE  41           HA       PHE  41  -1.820   9.273   2.970
  337   1HB   PHE  41           HB2      PHE  41  -0.948   6.378   2.852
  338   2HB   PHE  41           HB3      PHE  41  -0.843   7.514   1.516
  339    HD1  PHE  41           HD1      PHE  41   1.523   6.106   2.299
  340    HD2  PHE  41           HD2      PHE  41  -0.125   9.672   3.936
  341    HE1  PHE  41           HE1      PHE  41   3.761   6.782   3.065
  342    HE2  PHE  41           HE2      PHE  41   2.112  10.357   4.702
  343    HZ   PHE  41           HZ       PHE  41   4.058   8.912   4.267
  344    H    VAL  42           H        VAL  42  -4.044   7.585   4.444
  345    HA   VAL  42           HA       VAL  42  -5.441   6.154   2.478
  346    HB   VAL  42           HB       VAL  42  -6.708   7.599   4.803
  347   1HG1  VAL  42          2HG1      VAL  42  -8.189   6.556   3.099
  348   2HG1  VAL  42          1HG1      VAL  42  -7.448   5.001   3.474
  349   3HG1  VAL  42          3HG1      VAL  42  -8.356   5.866   4.713
  350   1HG2  VAL  42          1HG2      VAL  42  -4.627   6.254   5.373
  351   2HG2  VAL  42          3HG2      VAL  42  -6.106   5.847   6.240
  352   3HG2  VAL  42          2HG2      VAL  42  -5.558   4.829   4.909
  353    H    GLY  43           H        GLY  43  -5.984   7.028   0.591
  354   1HA   GLY  43           HA3      GLY  43  -7.351   9.649   0.623
  355   2HA   GLY  43           HA2      GLY  43  -7.821   8.327  -0.438
  356    H    LYS  44           H        LYS  44  -4.466   8.746   0.111
  357    HA   LYS  44           HA       LYS  44  -3.922  10.597  -1.970
  358   1HB   LYS  44           HB2      LYS  44  -2.136   8.586  -0.586
  359   2HB   LYS  44           HB3      LYS  44  -1.575   9.852  -1.665
  360   1HG   LYS  44           HG2      LYS  44  -2.529  11.533  -0.116
  361   2HG   LYS  44           HG3      LYS  44  -2.943  10.220   0.989
  362   1HD   LYS  44           HD2      LYS  44  -0.872  11.194   1.710
  363   2HD   LYS  44           HD3      LYS  44  -0.534   9.593   1.047
  364   1HE   LYS  44           HE2      LYS  44   0.158  10.617  -1.065
  365   2HE   LYS  44           HE3      LYS  44  -0.178  12.216  -0.401
  366   1HZ   LYS  44           HZ1      LYS  44   1.523  11.837   1.273
  367   2HZ   LYS  44           HZ3      LYS  44   1.846  10.304   0.634
  368   3HZ   LYS  44           HZ2      LYS  44   2.172  11.689  -0.281
  369    H    ASP  45           H        ASP  45  -2.186   9.783  -3.689
  370    HA   ASP  45           HA       ASP  45  -3.438   7.508  -5.071
  371   1HB   ASP  45           HB2      ASP  45  -2.628  10.168  -5.942
  372   2HB   ASP  45           HB3      ASP  45  -1.967   8.897  -6.962
  373    H    VAL  46           H        VAL  46  -0.318   9.159  -4.661
  374    HA   VAL  46           HA       VAL  46   1.149   6.893  -5.665
  375    HB   VAL  46           HB       VAL  46   2.007   9.107  -6.123
  376   1HG1  VAL  46          1HG1      VAL  46   1.119  10.269  -4.181
  377   2HG1  VAL  46          3HG1      VAL  46   2.247   9.411  -3.132
  378   3HG1  VAL  46          2HG1      VAL  46   2.854  10.551  -4.331
  379   1HG2  VAL  46          2HG2      VAL  46   3.634   7.306  -5.905
  380   2HG2  VAL  46          1HG2      VAL  46   4.313   8.837  -5.352
  381   3HG2  VAL  46          3HG2      VAL  46   3.779   7.633  -4.178
  382    H    LEU  47           H        LEU  47   0.279   8.163  -2.547
  383    HA   LEU  47           HA       LEU  47   0.379   7.237  -0.461
  384   1HB   LEU  47           HB2      LEU  47   1.713   4.838  -1.696
  385   2HB   LEU  47           HB3      LEU  47   0.793   4.910  -0.208
  386    HG   LEU  47           HG       LEU  47  -0.515   5.467  -2.855
  387   1HD1  LEU  47          3HD1      LEU  47   0.171   2.809  -1.674
  388   2HD1  LEU  47          2HD1      LEU  47  -1.225   3.021  -2.730
  389   3HD1  LEU  47          1HD1      LEU  47   0.396   3.385  -3.325
  390   1HD2  LEU  47          3HD2      LEU  47  -1.467   4.535  -0.150
  391   2HD2  LEU  47          2HD2      LEU  47  -1.851   6.048  -0.973
  392   3HD2  LEU  47          1HD2      LEU  47  -2.482   4.522  -1.596
  393    H    SER  48           H        SER  48   3.124   5.734  -2.004
  394    HA   SER  48           HA       SER  48   5.055   6.118  -0.110
  395   1HB   SER  48           HB2      SER  48   6.640   5.632  -1.799
  396   2HB   SER  48           HB3      SER  48   5.164   4.816  -2.302
  397    HG   SER  48           HG       SER  48   5.908   5.885  -4.075
  398    H    ASP  49           H        ASP  49   7.176   7.488  -0.721
  399    HA   ASP  49           HA       ASP  49   6.541  10.186  -1.562
  400   1HB   ASP  49           HB2      ASP  49   7.300   9.528   1.280
  401   2HB   ASP  49           HB3      ASP  49   7.534  11.131   0.585
  402    H    GLU  50           H        GLU  50   9.131   9.360   0.642
  403    HA   GLU  50           HA       GLU  50  11.048   9.459  -1.583
  404   1HB   GLU  50           HB2      GLU  50  12.508  10.863  -0.251
  405   2HB   GLU  50           HB3      GLU  50  10.929  11.624  -0.409
  406   1HG   GLU  50           HG2      GLU  50  10.323  10.891   1.820
  407   2HG   GLU  50           HG3      GLU  50  11.881  10.082   1.991
  408    H    ILE  51           H        ILE  51  10.213   8.278   1.596
  409    HA   ILE  51           HA       ILE  51  12.651   6.845   2.032
  410    HB   ILE  51           HB       ILE  51   9.991   6.328   3.351
  411   1HG1  ILE  51          2HG1      ILE  51  10.591   8.739   3.425
  412   2HG1  ILE  51          3HG1      ILE  51  10.580   7.982   5.011
  413   1HG2  ILE  51          2HG2      ILE  51  12.832   5.875   4.252
  414   2HG2  ILE  51          1HG2      ILE  51  11.395   5.599   5.236
  415   3HG2  ILE  51          3HG2      ILE  51  11.667   4.637   3.783
  416   1HD1  ILE  51          1HD1      ILE  51  13.044   8.524   3.372
  417   2HD1  ILE  51          3HD1      ILE  51  12.462   9.523   4.703
  418   3HD1  ILE  51          2HD1      ILE  51  12.993   7.870   5.010
  419    H    LEU  52           H        LEU  52   9.436   5.383   2.028
  420    HA   LEU  52           HA       LEU  52  10.529   3.121   0.510
  421   1HB   LEU  52           HB2      LEU  52   8.320   3.440   2.486
  422   2HB   LEU  52           HB3      LEU  52   8.196   2.157   1.299
  423    HG   LEU  52           HG       LEU  52  10.673   2.419   2.954
  424   1HD1  LEU  52          2HD1      LEU  52   8.129   1.049   3.805
  425   2HD1  LEU  52          1HD1      LEU  52   9.687   0.925   4.620
  426   3HD1  LEU  52          3HD1      LEU  52   8.846   2.473   4.557
  427   1HD2  LEU  52          3HD2      LEU  52  10.505   0.874   0.989
  428   2HD2  LEU  52          2HD2      LEU  52  10.904   0.094   2.519
  429   3HD2  LEU  52          1HD2      LEU  52   9.265  -0.010   1.877
  430    H    GLU  53           H        GLU  53  10.169   3.199  -1.623
  431    HA   GLU  53           HA       GLU  53   8.085   4.710  -2.822
  432   1HB   GLU  53           HB2      GLU  53  10.277   2.984  -3.700
  433   2HB   GLU  53           HB3      GLU  53   8.858   2.867  -4.727
  434   1HG   GLU  53           HG2      GLU  53   9.770   5.574  -3.995
  435   2HG   GLU  53           HG3      GLU  53  10.786   4.645  -5.096
  436    H    VAL  54           H        VAL  54   6.367   3.716  -1.396
  437    HA   VAL  54           HA       VAL  54   5.567   1.031  -1.888
  438    HB   VAL  54           HB       VAL  54   3.616   3.048  -0.881
  439   1HG1  VAL  54          2HG1      VAL  54   4.249   0.166  -0.288
  440   2HG1  VAL  54          1HG1      VAL  54   3.037   1.105   0.578
  441   3HG1  VAL  54          3HG1      VAL  54   2.850   0.806  -1.149
  442   1HG2  VAL  54          3HG2      VAL  54   5.937   1.974   0.714
  443   2HG2  VAL  54          2HG2      VAL  54   5.644   3.658   0.286
  444   3HG2  VAL  54          1HG2      VAL  54   4.545   2.824   1.384
  445    H    VAL  55           H        VAL  55   5.389   0.869  -4.138
  446    HA   VAL  55           HA       VAL  55   3.370   2.445  -5.489
  447    HB   VAL  55           HB       VAL  55   4.849   0.057  -6.570
  448   1HG1  VAL  55          3HG1      VAL  55   2.780   0.941  -7.722
  449   2HG1  VAL  55          2HG1      VAL  55   3.704   2.404  -8.061
  450   3HG1  VAL  55          1HG1      VAL  55   4.239   0.855  -8.713
  451   1HG2  VAL  55          3HG2      VAL  55   5.667   2.962  -6.668
  452   2HG2  VAL  55          2HG2      VAL  55   6.492   1.673  -5.791
  453   3HG2  VAL  55          1HG2      VAL  55   6.449   1.653  -7.554
  454    H    CYS  56           H        CYS  56   1.524   1.832  -4.364
  455    HA   CYS  56           HA       CYS  56   0.740  -0.984  -4.678
  456   1HB   CYS  56           HB2      CYS  56   0.769  -0.555  -2.371
  457   2HB   CYS  56           HB3      CYS  56   0.048   1.035  -2.567
  458    HG   CYS  56           HG       CYS  56  -2.385   0.309  -2.216
  459    H    LYS  57           H        LYS  57  -1.023  -1.510  -5.755
  460    HA   LYS  57           HA       LYS  57  -2.717   0.670  -6.768
  461   1HB   LYS  57           HB2      LYS  57  -2.417  -2.037  -8.042
  462   2HB   LYS  57           HB3      LYS  57  -3.086  -0.577  -8.751
  463   1HG   LYS  57           HG2      LYS  57  -0.192  -0.956  -8.012
  464   2HG   LYS  57           HG3      LYS  57  -0.860  -1.147  -9.635
  465   1HD   LYS  57           HD2      LYS  57  -1.595   1.195  -9.595
  466   2HD   LYS  57           HD3      LYS  57  -0.896   1.379  -7.985
  467   1HE   LYS  57           HE2      LYS  57   0.614   2.263  -9.667
  468   2HE   LYS  57           HE3      LYS  57   1.317   0.844  -8.892
  469   1HZ   LYS  57           HZ1      LYS  57  -0.037   0.875 -11.535
  470   2HZ   LYS  57           HZ3      LYS  57   1.634   0.793 -11.284
  471   3HZ   LYS  57           HZ2      LYS  57   0.642  -0.485 -10.793
  472    H    TYR  58           H        TYR  58  -4.563   0.720  -5.707
  473    HA   TYR  58           HA       TYR  58  -5.562  -1.497  -4.231
  474   1HB   TYR  58           HB2      TYR  58  -5.947   0.899  -3.594
  475   2HB   TYR  58           HB3      TYR  58  -7.036   1.043  -4.972
  476    HD1  TYR  58           HD1      TYR  58  -7.127   0.941  -1.628
  477    HD2  TYR  58           HD2      TYR  58  -8.681  -1.300  -4.909
  478    HE1  TYR  58           HE1      TYR  58  -9.000   0.161  -0.231
  479    HE2  TYR  58           HE2      TYR  58 -10.531  -2.102  -3.521
  480    HH   TYR  58           HH       TYR  58 -11.283  -0.704  -0.511
  481    H    THR  59           H        THR  59  -6.554  -3.181  -5.050
  482    HA   THR  59           HA       THR  59  -7.988  -2.906  -7.599
  483    HB   THR  59           HB       THR  59  -7.805  -5.618  -7.046
  484    HG1  THR  59           HG1      THR  59  -5.178  -4.817  -6.708
  485   1HG2  THR  59          1HG2      THR  59  -5.925  -3.901  -8.670
  486   2HG2  THR  59          3HG2      THR  59  -6.129  -5.645  -8.839
  487   3HG2  THR  59          2HG2      THR  59  -7.464  -4.559  -9.225
  488    HA   PRO  60           HA       PRO  60 -11.570  -3.650  -4.997
  489   1HB   PRO  60           HB2      PRO  60 -13.323  -2.330  -6.533
  490   2HB   PRO  60           HB3      PRO  60 -12.122  -1.481  -5.557
  491   1HG   PRO  60           HG2      PRO  60 -12.226  -1.891  -8.482
  492   2HG   PRO  60           HG3      PRO  60 -11.439  -0.607  -7.552
  493   1HD   PRO  60           HD2      PRO  60 -10.246  -2.945  -8.678
  494   2HD   PRO  60           HD3      PRO  60  -9.473  -1.671  -7.718
  495    H    THR  61           H        THR  61 -13.751  -4.583  -5.357
  496    HA   THR  61           HA       THR  61 -13.574  -6.918  -7.016
  497    HB   THR  61           HB       THR  61 -16.217  -6.424  -5.911
  498    HG1  THR  61           HG1      THR  61 -15.666  -5.671  -4.020
  499   1HG2  THR  61          3HG2      THR  61 -14.083  -8.498  -5.392
  500   2HG2  THR  61          2HG2      THR  61 -15.727  -8.570  -4.757
  501   3HG2  THR  61          1HG2      THR  61 -15.450  -8.640  -6.496
  502    HA   PRO  62           HA       PRO  62 -15.550  -5.460 -10.685
  503   1HB   PRO  62           HB2      PRO  62 -16.971  -8.060 -10.759
  504   2HB   PRO  62           HB3      PRO  62 -15.899  -7.329 -11.958
  505   1HG   PRO  62           HG2      PRO  62 -15.077  -9.382 -10.469
  506   2HG   PRO  62           HG3      PRO  62 -13.978  -8.048 -10.866
  507   1HD   PRO  62           HD2      PRO  62 -15.454  -8.588  -8.321
  508   2HD   PRO  62           HD3      PRO  62 -13.786  -8.023  -8.559
  509    H    SER  63           H        SER  63 -17.327  -4.303 -11.114
  510    HA   SER  63           HA       SER  63 -19.797  -4.919  -9.645
  511   1HB   SER  63           HB2      SER  63 -18.748  -2.974  -8.612
  512   2HB   SER  63           HB3      SER  63 -18.645  -2.179 -10.183
  513    HG   SER  63           HG       SER  63 -21.029  -2.455 -10.202
  514    H    SER  64           H        SER  64 -19.408  -2.235 -11.783
  515    HA   SER  64           HA       SER  64 -21.591  -3.035 -13.416
  516   1HB   SER  64           HB2      SER  64 -19.534  -0.856 -13.861
  517   2HB   SER  64           HB3      SER  64 -21.041  -1.036 -14.760
  518    HG   SER  64           HG       SER  64 -20.674   0.246 -12.497
  519    H    THR  65           H        THR  65 -18.204  -3.589 -13.511
  520    HA   THR  65           HA       THR  65 -18.095  -4.230 -16.326
  521    HB   THR  65           HB       THR  65 -15.778  -4.988 -15.810
  522    HG1  THR  65           HG1      THR  65 -16.709  -5.101 -13.343
  523   1HG2  THR  65          1HG2      THR  65 -16.201  -2.661 -16.430
  524   2HG2  THR  65          3HG2      THR  65 -16.497  -2.257 -14.739
  525   3HG2  THR  65          2HG2      THR  65 -14.891  -2.770 -15.255
  526    HA   PRO  66           HA       PRO  66 -19.091  -8.529 -16.058
  527   1HB   PRO  66           HB2      PRO  66 -17.447  -9.657 -17.881
  528   2HB   PRO  66           HB3      PRO  66 -18.784  -8.601 -18.347
  529   1HG   PRO  66           HG2      PRO  66 -15.874  -7.952 -18.037
  530   2HG   PRO  66           HG3      PRO  66 -16.975  -7.520 -19.361
  531   1HD   PRO  66           HD2      PRO  66 -16.348  -5.782 -17.390
  532   2HD   PRO  66           HD3      PRO  66 -17.949  -5.802 -18.156
  533    H    MET  67           H        MET  67 -17.330 -10.705 -16.532
  534    HA   MET  67           HA       MET  67 -15.753 -10.625 -14.053
  535   1HB   MET  67           HB2      MET  67 -17.017 -12.960 -15.494
  536   2HB   MET  67           HB3      MET  67 -15.954 -13.121 -14.104
  537   1HG   MET  67           HG2      MET  67 -18.188 -13.292 -13.330
  538   2HG   MET  67           HG3      MET  67 -17.558 -11.733 -12.802
  539   1HE   MET  67           HE2      MET  67 -20.026 -10.906 -12.268
  540   2HE   MET  67           HE1      MET  67 -21.351 -10.972 -13.430
  541   3HE   MET  67           HE3      MET  67 -20.663 -12.466 -12.792
  542    H    VAL  68           H        VAL  68 -14.067  -9.577 -15.371
  543    HA   VAL  68           HA       VAL  68 -12.383 -11.612 -16.663
  544    HB   VAL  68           HB       VAL  68 -12.459  -8.765 -17.647
  545   1HG1  VAL  68          2HG1      VAL  68 -11.476 -11.345 -18.865
  546   2HG1  VAL  68          1HG1      VAL  68 -11.455  -9.771 -19.659
  547   3HG1  VAL  68          3HG1      VAL  68 -10.477 -10.043 -18.217
  548   1HG2  VAL  68          2HG2      VAL  68 -14.702  -9.667 -17.939
  549   2HG2  VAL  68          1HG2      VAL  68 -13.885  -9.516 -19.495
  550   3HG2  VAL  68          3HG2      VAL  68 -14.038 -11.098 -18.729
  551    H    GLY  69           H        GLY  69 -12.273 -10.777 -13.971
  552   1HA   GLY  69           HA3      GLY  69  -9.522 -10.100 -13.757
  553   2HA   GLY  69           HA2      GLY  69 -10.659 -10.234 -12.425
  554    H    VAL  70           H        VAL  70 -11.661  -8.406 -11.627
  555    HA   VAL  70           HA       VAL  70 -10.780  -5.851 -12.799
  556    HB   VAL  70           HB       VAL  70 -13.204  -6.182 -11.043
  557   1HG1  VAL  70          3HG1      VAL  70 -12.339  -4.040 -12.982
  558   2HG1  VAL  70          2HG1      VAL  70 -13.886  -4.070 -12.133
  559   3HG1  VAL  70          1HG1      VAL  70 -12.383  -3.919 -11.223
  560   1HG2  VAL  70          1HG2      VAL  70 -13.467  -7.622 -13.008
  561   2HG2  VAL  70          3HG2      VAL  70 -14.577  -6.252 -13.049
  562   3HG2  VAL  70          2HG2      VAL  70 -13.130  -6.245 -14.057
  563    H    GLY  71           H        GLY  71 -10.077  -7.871 -10.380
  564   1HA   GLY  71           HA3      GLY  71  -9.437  -5.663  -8.522
  565   2HA   GLY  71           HA2      GLY  71  -8.345  -7.002  -8.836
  566    H    GLY  72           H        GLY  72  -9.771  -5.914  -6.373
  567   1HA   GLY  72           HA3      GLY  72 -11.022  -8.457  -5.546
  568   2HA   GLY  72           HA2      GLY  72 -11.479  -6.889  -4.902
  569    H    ILE  73           H        ILE  73  -8.417  -6.332  -5.010
  570    HA   ILE  73           HA       ILE  73  -7.938  -7.179  -2.288
  571    HB   ILE  73           HB       ILE  73  -5.666  -8.026  -2.827
  572   1HG1  ILE  73          2HG1      ILE  73  -6.566  -8.558  -5.619
  573   2HG1  ILE  73          3HG1      ILE  73  -5.826  -7.007  -5.222
  574   1HG2  ILE  73          1HG2      ILE  73  -7.529  -9.516  -2.286
  575   2HG2  ILE  73          3HG2      ILE  73  -7.868  -9.677  -4.011
  576   3HG2  ILE  73          2HG2      ILE  73  -6.335 -10.256  -3.352
  577   1HD1  ILE  73          3HD1      ILE  73  -3.867  -8.212  -4.332
  578   2HD1  ILE  73          2HD1      ILE  73  -4.601  -9.730  -4.851
  579   3HD1  ILE  73          1HD1      ILE  73  -4.147  -8.516  -6.049
  580    H    TYR  74           H        TYR  74  -5.259  -6.586  -2.130
  581    HA   TYR  74           HA       TYR  74  -5.016  -3.828  -3.097
  582   1HB   TYR  74           HB2      TYR  74  -4.121  -4.583  -0.330
  583   2HB   TYR  74           HB3      TYR  74  -4.513  -2.990  -0.972
  584    HD1  TYR  74           HD1      TYR  74  -6.753  -2.150  -0.903
  585    HD2  TYR  74           HD2      TYR  74  -5.958  -6.165   0.252
  586    HE1  TYR  74           HE1      TYR  74  -9.018  -2.334   0.040
  587    HE2  TYR  74           HE2      TYR  74  -8.216  -6.352   1.190
  588    HH   TYR  74           HH       TYR  74 -10.654  -4.084   0.578
  589    H    VAL  75           H        VAL  75  -3.356  -4.081  -4.513
  590    HA   VAL  75           HA       VAL  75  -1.157  -5.865  -3.894
  591    HB   VAL  75           HB       VAL  75  -1.726  -4.177  -6.333
  592   1HG1  VAL  75          3HG1      VAL  75   0.508  -6.141  -5.832
  593   2HG1  VAL  75          2HG1      VAL  75   0.116  -5.429  -7.398
  594   3HG1  VAL  75          1HG1      VAL  75   0.668  -4.401  -6.076
  595   1HG2  VAL  75          3HG2      VAL  75  -3.246  -6.061  -6.053
  596   2HG2  VAL  75          2HG2      VAL  75  -2.158  -6.333  -7.414
  597   3HG2  VAL  75          1HG2      VAL  75  -1.872  -7.155  -5.880
  598    H    VAL  76           H        VAL  76   0.302  -5.077  -2.513
  599    HA   VAL  76           HA       VAL  76   1.119  -2.262  -2.799
  600    HB   VAL  76           HB       VAL  76   1.607  -4.054  -0.425
  601   1HG1  VAL  76          3HG1      VAL  76   1.858  -1.078  -0.822
  602   2HG1  VAL  76          2HG1      VAL  76   2.007  -1.902   0.731
  603   3HG1  VAL  76          1HG1      VAL  76   3.169  -2.228  -0.557
  604   1HG2  VAL  76          3HG2      VAL  76  -0.809  -3.705  -0.829
  605   2HG2  VAL  76          2HG2      VAL  76  -0.246  -2.974   0.674
  606   3HG2  VAL  76          1HG2      VAL  76  -0.542  -1.965  -0.741
  607    H    LEU  77           H        LEU  77   3.000  -1.887  -3.775
  608    HA   LEU  77           HA       LEU  77   5.139  -3.902  -3.565
  609   1HB   LEU  77           HB2      LEU  77   4.600  -1.820  -5.678
  610   2HB   LEU  77           HB3      LEU  77   6.101  -2.720  -5.583
  611    HG   LEU  77           HG       LEU  77   3.344  -3.889  -6.036
  612   1HD1  LEU  77          3HD1      LEU  77   4.189  -2.676  -7.971
  613   2HD1  LEU  77          2HD1      LEU  77   5.698  -3.585  -7.895
  614   3HD1  LEU  77          1HD1      LEU  77   4.187  -4.414  -8.269
  615   1HD2  LEU  77          2HD2      LEU  77   5.110  -5.253  -4.733
  616   2HD2  LEU  77          1HD2      LEU  77   4.291  -6.004  -6.105
  617   3HD2  LEU  77          3HD2      LEU  77   5.926  -5.376  -6.292
  618    H    VAL  78           H        VAL  78   6.167  -3.236  -1.727
  619    HA   VAL  78           HA       VAL  78   6.796  -0.402  -1.429
  620    HB   VAL  78           HB       VAL  78   7.951  -2.088   0.612
  621   1HG1  VAL  78          1HG1      VAL  78   5.834   0.077   0.622
  622   2HG1  VAL  78          3HG1      VAL  78   6.567  -0.619   2.069
  623   3HG1  VAL  78          2HG1      VAL  78   7.563   0.279   0.926
  624   1HG2  VAL  78          2HG2      VAL  78   4.995  -2.382   0.110
  625   2HG2  VAL  78          1HG2      VAL  78   6.208  -3.661   0.072
  626   3HG2  VAL  78          3HG2      VAL  78   5.818  -2.860   1.593
  627    H    LYS  79           H        LYS  79   8.492   0.298  -2.505
  628    HA   LYS  79           HA       LYS  79  10.894  -1.394  -2.658
  629   1HB   LYS  79           HB2      LYS  79   9.657   0.574  -4.516
  630   2HB   LYS  79           HB3      LYS  79  11.410   0.445  -4.516
  631   1HG   LYS  79           HG2      LYS  79  11.157  -2.006  -4.902
  632   2HG   LYS  79           HG3      LYS  79   9.411  -1.743  -5.088
  633   1HD   LYS  79           HD2      LYS  79  11.553  -0.410  -6.752
  634   2HD   LYS  79           HD3      LYS  79  10.632  -1.831  -7.247
  635   1HE   LYS  79           HE2      LYS  79   9.487   0.883  -6.597
  636   2HE   LYS  79           HE3      LYS  79   9.701   0.209  -8.213
  637   1HZ   LYS  79           HZ2      LYS  79   8.154  -1.557  -7.639
  638   2HZ   LYS  79           HZ1      LYS  79   7.948  -0.908  -6.091
  639   3HZ   LYS  79           HZ3      LYS  79   7.428  -0.042  -7.449
  640    HA   PRO  80           HA       PRO  80  12.142   1.734   0.484
  641   1HB   PRO  80           HB2      PRO  80  14.594   0.369   0.766
  642   2HB   PRO  80           HB3      PRO  80  13.191   0.265   1.830
  643   1HG   PRO  80           HG2      PRO  80  14.062  -1.561  -0.342
  644   2HG   PRO  80           HG3      PRO  80  13.192  -1.928   1.157
  645   1HD   PRO  80           HD2      PRO  80  11.957  -1.907  -1.227
  646   2HD   PRO  80           HD3      PRO  80  11.140  -1.363   0.253
  647    H    ARG  81           H        ARG  81  12.526   3.503  -0.736
  648    HA   ARG  81           HA       ARG  81  14.348   3.678  -2.871
  649   1HB   ARG  81           HB2      ARG  81  12.634   5.485  -1.373
  650   2HB   ARG  81           HB3      ARG  81  14.149   6.247  -1.833
  651   1HG   ARG  81           HG2      ARG  81  13.749   5.837  -4.139
  652   2HG   ARG  81           HG3      ARG  81  12.362   4.807  -3.773
  653   1HD   ARG  81           HD2      ARG  81  11.118   6.670  -2.936
  654   2HD   ARG  81           HD3      ARG  81  12.524   7.731  -3.064
  655    HE   ARG  81           HE       ARG  81  11.762   6.562  -5.569
  656   1HH1  ARG  81          1HH1      ARG  81  11.142   9.171  -3.344
  657   2HH1  ARG  81          2HH1      ARG  81  10.501  10.226  -4.559
  658   1HH2  ARG  81          1HH2      ARG  81  10.921   7.944  -7.174
  659   2HH2  ARG  81          2HH2      ARG  81  10.376   9.529  -6.736
  660    H    LYS  82           H        LYS  82  14.680   4.191   0.581
  661    HA   LYS  82           HA       LYS  82  17.544   4.759   0.188
  662   1HB   LYS  82           HB2      LYS  82  15.890   5.506   2.601
  663   2HB   LYS  82           HB3      LYS  82  17.526   6.027   2.228
  664   1HG   LYS  82           HG2      LYS  82  16.691   7.279   0.302
  665   2HG   LYS  82           HG3      LYS  82  15.048   6.759   0.683
  666   1HD   LYS  82           HD2      LYS  82  15.222   7.877   2.868
  667   2HD   LYS  82           HD3      LYS  82  16.838   8.438   2.436
  668   1HE   LYS  82           HE2      LYS  82  14.295   9.104   0.955
  669   2HE   LYS  82           HE3      LYS  82  15.133  10.171   2.081
  670   1HZ   LYS  82           HZ2      LYS  82  16.255   9.124  -0.462
  671   2HZ   LYS  82           HZ1      LYS  82  15.680  10.695  -0.212
  672   3HZ   LYS  82           HZ3      LYS  82  17.053  10.155   0.616
  673    H    ARG  83           H        ARG  83  18.626   4.284   2.550
  674    HA   ARG  83           HA       ARG  83  17.880   1.512   3.220
  675   1HB   ARG  83           HB2      ARG  83  20.674   2.654   3.150
  676   2HB   ARG  83           HB3      ARG  83  20.235   0.992   3.510
  677   1HG   ARG  83           HG2      ARG  83  19.547   0.591   1.280
  678   2HG   ARG  83           HG3      ARG  83  19.629   2.308   0.879
  679   1HD   ARG  83           HD2      ARG  83  21.545   1.037  -0.004
  680   2HD   ARG  83           HD3      ARG  83  22.029   2.296   1.132
  681    HE   ARG  83           HE       ARG  83  21.741  -0.035   2.599
  682   1HH1  ARG  83          1HH1      ARG  83  23.722   1.132  -0.021
  683   2HH1  ARG  83          2HH1      ARG  83  25.080   0.139   0.394
  684   1HH2  ARG  83          1HH2      ARG  83  23.523  -1.345   3.150
  685   2HH2  ARG  83          2HH2      ARG  83  24.966  -1.269   2.195
  686    H    GLY  84           H        GLY  84  18.064   0.876   5.372
  687   1HA   GLY  84           HA3      GLY  84  18.302   3.120   7.271
  688   2HA   GLY  84           HA2      GLY  84  19.132   1.602   7.576
  689    H    HIS  85           H        HIS  85  16.816   3.196   8.856
  690    HA   HIS  85           HA       HIS  85  15.202   0.823   9.405
  691   1HB   HIS  85           HB2      HIS  85  15.337   3.480  10.844
  692   2HB   HIS  85           HB3      HIS  85  14.371   2.098  11.350
  693    HD1  HIS  85           HD1      HIS  85  17.762   3.511  11.525
  694    HD2  HIS  85           HD2      HIS  85  15.922  -0.137  12.281
  695    HE1  HIS  85           HE1      HIS  85  19.413   2.197  12.892
  696    HE2  HIS  85           HE2      HIS  85  18.314  -0.040  13.262
  697    H    HIS  86           H        HIS  86  13.767   0.693   7.734
  698    HA   HIS  86           HA       HIS  86  11.970   2.996   7.345
  699   1HB   HIS  86           HB2      HIS  86  12.651   0.744   5.441
  700   2HB   HIS  86           HB3      HIS  86  11.446   1.990   5.130
  701    HD1  HIS  86           HD1      HIS  86  14.156   3.603   6.798
  702    HD2  HIS  86           HD2      HIS  86  13.450   2.323   2.908
  703    HE1  HIS  86           HE1      HIS  86  15.783   4.876   5.365
  704    HE2  HIS  86           HE2      HIS  86  15.387   4.032   3.026
  705    H    THR  87           H        THR  87   9.706   2.388   6.750
  706    HA   THR  87           HA       THR  87   8.763  -0.204   7.573
  707    HB   THR  87           HB       THR  87   8.050   2.206   9.255
  708    HG1  THR  87           HG1      THR  87  10.025   1.367   9.905
  709   1HG2  THR  87          3HG2      THR  87   6.156   0.670   8.860
  710   2HG2  THR  87          2HG2      THR  87   7.129  -0.659   9.491
  711   3HG2  THR  87          1HG2      THR  87   6.678   0.681  10.546
  712    H    LEU  88           H        LEU  88   6.577  -0.573   7.063
  713    HA   LEU  88           HA       LEU  88   5.317   1.545   5.452
  714   1HB   LEU  88           HB2      LEU  88   6.037  -0.163   3.956
  715   2HB   LEU  88           HB3      LEU  88   5.406  -1.428   4.990
  716    HG   LEU  88           HG       LEU  88   3.100  -0.492   4.535
  717   1HD1  LEU  88          2HD1      LEU  88   3.838   1.727   3.800
  718   2HD1  LEU  88          1HD1      LEU  88   4.578   0.998   2.374
  719   3HD1  LEU  88          3HD1      LEU  88   2.830   0.930   2.592
  720   1HD2  LEU  88          3HD2      LEU  88   4.031  -2.499   3.423
  721   2HD2  LEU  88          2HD2      LEU  88   2.881  -1.611   2.424
  722   3HD2  LEU  88          1HD2      LEU  88   4.610  -1.462   2.122
  723    H    GLU  89           H        GLU  89   3.969   2.313   7.029
  724    HA   GLU  89           HA       GLU  89   2.410   0.623   8.700
  725   1HB   GLU  89           HB2      GLU  89   2.272   3.570   8.080
  726   2HB   GLU  89           HB3      GLU  89   1.249   2.776   9.268
  727   1HG   GLU  89           HG2      GLU  89   3.115   2.175  10.588
  728   2HG   GLU  89           HG3      GLU  89   4.245   2.736   9.359
  729    H    LEU  90           H        LEU  90   0.930  -0.680   7.771
  730    HA   LEU  90           HA       LEU  90  -0.952   0.560   5.872
  731   1HB   LEU  90           HB2      LEU  90  -0.351  -2.377   6.240
  732   2HB   LEU  90           HB3      LEU  90  -1.473  -1.697   5.081
  733    HG   LEU  90           HG       LEU  90   1.531  -1.509   5.077
  734   1HD1  LEU  90          2HD1      LEU  90  -0.505  -2.579   3.132
  735   2HD1  LEU  90          1HD1      LEU  90   1.220  -2.432   2.796
  736   3HD1  LEU  90          3HD1      LEU  90   0.661  -3.507   4.074
  737   1HD2  LEU  90          1HD2      LEU  90   0.656   0.712   4.580
  738   2HD2  LEU  90          3HD2      LEU  90   1.345  -0.036   3.141
  739   3HD2  LEU  90          2HD2      LEU  90  -0.406   0.027   3.349
  740    H    VAL  91           H        VAL  91  -3.019   0.751   6.438
  741    HA   VAL  91           HA       VAL  91  -3.963  -0.734   8.795
  742    HB   VAL  91           HB       VAL  91  -3.293   1.511   9.504
  743   1HG1  VAL  91          1HG1      VAL  91  -5.265   2.448   7.423
  744   2HG1  VAL  91          3HG1      VAL  91  -4.549   3.481   8.662
  745   3HG1  VAL  91          2HG1      VAL  91  -3.521   2.724   7.444
  746   1HG2  VAL  91          3HG2      VAL  91  -6.282   1.117   9.476
  747   2HG2  VAL  91          2HG2      VAL  91  -5.148   0.477  10.665
  748   3HG2  VAL  91          1HG2      VAL  91  -5.407   2.216  10.541
  749    H    TYR  92           H        TYR  92  -6.273  -0.855   9.000
  750    HA   TYR  92           HA       TYR  92  -7.670  -0.810   6.417
  751   1HB   TYR  92           HB2      TYR  92  -7.470  -2.925   7.906
  752   2HB   TYR  92           HB3      TYR  92  -8.664  -2.140   8.932
  753    HD1  TYR  92           HD1      TYR  92 -10.594  -3.407   8.695
  754    HD2  TYR  92           HD2      TYR  92  -8.446  -2.249   5.210
  755    HE1  TYR  92           HE1      TYR  92 -12.392  -4.322   7.290
  756    HE2  TYR  92           HE2      TYR  92 -10.240  -3.159   3.795
  757    HH   TYR  92           HH       TYR  92 -12.045  -4.824   3.953
  758    H    THR  93           H        THR  93  -8.302   1.344   6.320
  759    HA   THR  93           HA       THR  93 -10.099   2.279   8.473
  760    HB   THR  93           HB       THR  93  -8.058   3.565   8.509
  761    HG1  THR  93           HG1      THR  93  -9.910   5.221   7.155
  762   1HG2  THR  93          3HG2      THR  93  -8.485   3.585   5.573
  763   2HG2  THR  93          2HG2      THR  93  -7.775   5.031   6.297
  764   3HG2  THR  93          1HG2      THR  93  -6.988   3.462   6.498
  765    H    ARG  94           H        ARG  94 -11.541   4.101   7.739
  766    HA   ARG  94           HA       ARG  94 -12.714   3.420   5.136
  767   1HB   ARG  94           HB2      ARG  94 -13.923   5.020   7.400
  768   2HB   ARG  94           HB3      ARG  94 -14.753   4.465   5.953
  769   1HG   ARG  94           HG2      ARG  94 -14.384   2.138   6.664
  770   2HG   ARG  94           HG3      ARG  94 -13.627   2.734   8.142
  771   1HD   ARG  94           HD2      ARG  94 -16.475   3.186   7.266
  772   2HD   ARG  94           HD3      ARG  94 -15.930   2.145   8.578
  773    HE   ARG  94           HE       ARG  94 -15.006   4.744   9.060
  774   1HH1  ARG  94          1HH1      ARG  94 -17.997   2.960   8.944
  775   2HH1  ARG  94          2HH1      ARG  94 -18.796   3.976  10.098
  776   1HH2  ARG  94          1HH2      ARG  94 -16.051   6.086  10.578
  777   2HH2  ARG  94          2HH2      ARG  94 -17.690   5.752  11.026
  778    HA   PRO  95           HA       PRO  95 -10.383   7.192   3.896
  779   1HB   PRO  95           HB2      PRO  95 -11.933   6.400   1.460
  780   2HB   PRO  95           HB3      PRO  95 -10.262   6.960   1.594
  781   1HG   PRO  95           HG2      PRO  95 -10.796   4.373   1.267
  782   2HG   PRO  95           HG3      PRO  95  -9.497   4.900   2.353
  783   1HD   PRO  95           HD2      PRO  95 -12.187   3.819   3.004
  784   2HD   PRO  95           HD3      PRO  95 -10.664   3.690   3.903
  785    H    PHE  96           H        PHE  96 -13.779   6.432   3.224
  786    HA   PHE  96           HA       PHE  96 -14.612   9.036   2.610
  787   1HB   PHE  96           HB2      PHE  96 -16.556   7.232   3.926
  788   2HB   PHE  96           HB3      PHE  96 -16.676   8.119   2.416
  789    HD1  PHE  96           HD1      PHE  96 -14.862   7.226   0.592
  790    HD2  PHE  96           HD2      PHE  96 -16.650   4.959   3.720
  791    HE1  PHE  96           HE1      PHE  96 -14.438   5.156  -0.670
  792    HE2  PHE  96           HE2      PHE  96 -16.229   2.886   2.463
  793    HZ   PHE  96           HZ       PHE  96 -15.122   2.984   0.264
  794    H    GLU  97           H        GLU  97 -14.377   7.291   5.668
  795    HA   GLU  97           HA       GLU  97 -15.393   9.645   7.092
  796   1HB   GLU  97           HB2      GLU  97 -14.879   6.837   8.089
  797   2HB   GLU  97           HB3      GLU  97 -15.534   8.151   9.054
  798   1HG   GLU  97           HG2      GLU  97 -16.823   6.941   6.618
  799   2HG   GLU  97           HG3      GLU  97 -17.279   6.636   8.293
  800    H    GLY  98           H        GLY  98 -13.064   7.216   8.189
  801   1HA   GLY  98           HA3      GLY  98 -11.478   9.117   9.563
  802   2HA   GLY  98           HA2      GLY  98 -10.718   8.716   8.030
  803    H    ILE  99           H        ILE  99  -9.149   8.111   9.909
  804    HA   ILE  99           HA       ILE  99  -9.296   5.204  10.094
  805    HB   ILE  99           HB       ILE  99  -6.946   6.868  10.925
  806   1HG1  ILE  99          2HG1      ILE  99  -7.343   5.828   8.125
  807   2HG1  ILE  99          3HG1      ILE  99  -7.850   7.454   8.580
  808   1HG2  ILE  99          1HG2      ILE  99  -7.475   4.028  10.184
  809   2HG2  ILE  99          3HG2      ILE  99  -5.878   4.708   9.864
  810   3HG2  ILE  99          2HG2      ILE  99  -6.512   4.689  11.509
  811   1HD1  ILE  99          3HD1      ILE  99  -5.550   7.981   9.210
  812   2HD1  ILE  99          2HD1      ILE  99  -5.050   6.355   8.749
  813   3HD1  ILE  99          1HD1      ILE  99  -5.662   7.469   7.526
  814    H    LYS 100           H        LYS 100  -8.844   4.081  12.034
  815    HA   LYS 100           HA       LYS 100  -9.091   5.602  14.523
  816   1HB   LYS 100           HB2      LYS 100 -10.810   3.216  13.840
  817   2HB   LYS 100           HB3      LYS 100 -10.852   4.130  15.331
  818   1HG   LYS 100           HG2      LYS 100 -11.686   6.071  14.185
  819   2HG   LYS 100           HG3      LYS 100 -11.498   5.271  12.623
  820   1HD   LYS 100           HD2      LYS 100 -13.060   3.547  14.191
  821   2HD   LYS 100           HD3      LYS 100 -13.698   5.169  14.471
  822   1HE   LYS 100           HE2      LYS 100 -13.891   5.508  12.054
  823   2HE   LYS 100           HE3      LYS 100 -13.252   3.888  11.778
  824   1HZ   LYS 100           HZ3      LYS 100 -15.166   2.975  12.939
  825   2HZ   LYS 100           HZ2      LYS 100 -15.781   4.529  13.197
  826   3HZ   LYS 100           HZ1      LYS 100 -15.657   3.919  11.624
  827    HA   PRO 101           HA       PRO 101  -6.188   2.709  16.144
  828   1HB   PRO 101           HB2      PRO 101  -7.029   2.357  18.699
  829   2HB   PRO 101           HB3      PRO 101  -6.284   3.857  18.135
  830   1HG   PRO 101           HG2      PRO 101  -9.179   3.208  18.528
  831   2HG   PRO 101           HG3      PRO 101  -8.298   4.689  18.942
  832   1HD   PRO 101           HD2      PRO 101  -9.842   4.466  16.724
  833   2HD   PRO 101           HD3      PRO 101  -8.405   5.505  16.799
  834    H    GLU 102           H        GLU 102  -9.559   1.888  16.888
  835    HA   GLU 102           HA       GLU 102  -9.149  -0.827  17.451
  836   1HB   GLU 102           HB2      GLU 102 -11.585  -1.065  16.938
  837   2HB   GLU 102           HB3      GLU 102 -11.203   0.194  18.108
  838   1HG   GLU 102           HG2      GLU 102 -11.367   1.868  16.352
  839   2HG   GLU 102           HG3      GLU 102 -11.764   0.607  15.189
  840    H    ASN 103           H        ASN 103  -9.387   0.918  14.471
  841    HA   ASN 103           HA       ASN 103 -10.113  -1.042  12.664
  842   1HB   ASN 103           HB2      ASN 103  -8.202   1.275  12.423
  843   2HB   ASN 103           HB3      ASN 103  -8.582   0.237  11.054
  844   1HD2  ASN 103          1HD2      ASN 103 -11.005   0.831  13.437
  845   2HD2  ASN 103          2HD2      ASN 103 -11.972   1.905  12.492
  846    H    GLU 104           H        GLU 104  -8.890  -2.428  11.273
  847    HA   GLU 104           HA       GLU 104  -7.025  -4.036  12.571
  848   1HB   GLU 104           HB2      GLU 104  -8.278  -3.881   9.960
  849   2HB   GLU 104           HB3      GLU 104  -6.626  -4.458   9.864
  850   1HG   GLU 104           HG2      GLU 104  -7.881  -6.392  10.113
  851   2HG   GLU 104           HG3      GLU 104  -7.280  -6.068  11.735
  852    H    ARG 105           H        ARG 105  -4.805  -4.489  11.893
  853    HA   ARG 105           HA       ARG 105  -3.379  -2.095  10.937
  854   1HB   ARG 105           HB2      ARG 105  -3.246  -2.300  13.416
  855   2HB   ARG 105           HB3      ARG 105  -2.511  -3.879  13.220
  856   1HG   ARG 105           HG2      ARG 105  -0.641  -2.607  13.543
  857   2HG   ARG 105           HG3      ARG 105  -0.775  -2.538  11.780
  858   1HD   ARG 105           HD2      ARG 105  -0.371  -0.322  12.660
  859   2HD   ARG 105           HD3      ARG 105  -1.985  -0.416  11.951
  860    HE   ARG 105           HE       ARG 105  -2.264  -1.000  14.639
  861   1HH1  ARG 105          1HH1      ARG 105  -1.204   1.691  12.694
  862   2HH1  ARG 105          2HH1      ARG 105  -1.699   2.887  13.845
  863   1HH2  ARG 105          1HH2      ARG 105  -2.920   0.569  16.162
  864   2HH2  ARG 105          2HH2      ARG 105  -2.675   2.249  15.816
  865    H    TYR 106           H        TYR 106  -1.190  -2.546  10.181
  866    HA   TYR 106           HA       TYR 106  -0.126  -5.103   9.797
  867   1HB   TYR 106           HB2      TYR 106  -2.038  -5.330   8.225
  868   2HB   TYR 106           HB3      TYR 106  -1.412  -3.960   7.307
  869    HD1  TYR 106           HD1      TYR 106  -0.805  -7.464   8.268
  870    HD2  TYR 106           HD2      TYR 106   0.441  -4.228   5.806
  871    HE1  TYR 106           HE1      TYR 106   0.589  -9.007   6.957
  872    HE2  TYR 106           HE2      TYR 106   1.841  -5.761   4.488
  873    HH   TYR 106           HH       TYR 106   2.942  -7.942   4.758
  874    H    THR 107           H        THR 107   1.367  -3.529  10.758
  875    HA   THR 107           HA       THR 107   2.530  -1.558   8.986
  876    HB   THR 107           HB       THR 107   3.688  -2.320  11.648
  877    HG1  THR 107           HG1      THR 107   1.902  -1.701  12.590
  878   1HG2  THR 107          2HG2      THR 107   4.875  -0.686  10.274
  879   2HG2  THR 107          1HG2      THR 107   3.417   0.300  10.172
  880   3HG2  THR 107          3HG2      THR 107   4.220   0.071  11.726
  881    H    LEU 108           H        LEU 108   3.567  -2.608   7.342
  882    HA   LEU 108           HA       LEU 108   5.259  -4.867   7.751
  883   1HB   LEU 108           HB2      LEU 108   4.198  -4.630   5.633
  884   2HB   LEU 108           HB3      LEU 108   4.829  -3.015   5.419
  885    HG   LEU 108           HG       LEU 108   7.117  -3.968   5.230
  886   1HD1  LEU 108          1HD1      LEU 108   6.760  -6.013   6.509
  887   2HD1  LEU 108          3HD1      LEU 108   5.669  -6.611   5.260
  888   3HD1  LEU 108          2HD1      LEU 108   7.378  -6.369   4.896
  889   1HD2  LEU 108          2HD2      LEU 108   5.794  -3.475   3.242
  890   2HD2  LEU 108          1HD2      LEU 108   6.824  -4.885   2.994
  891   3HD2  LEU 108          3HD2      LEU 108   5.100  -5.094   3.297
  892    H    HIS 109           H        HIS 109   6.726  -4.189   9.356
  893    HA   HIS 109           HA       HIS 109   8.448  -1.938   8.933
  894   1HB   HIS 109           HB2      HIS 109   8.334  -4.141  10.944
  895   2HB   HIS 109           HB3      HIS 109   9.731  -3.078  10.868
  896    HD1  HIS 109           HD1      HIS 109   9.516  -0.837  11.975
  897    HD2  HIS 109           HD2      HIS 109   5.868  -2.785  11.574
  898    HE1  HIS 109           HE1      HIS 109   7.866   0.558  13.261
  899    HE2  HIS 109           HE2      HIS 109   5.649  -0.593  12.934
  900    H    LEU 110           H        LEU 110  10.515  -1.894   8.238
  901    HA   LEU 110           HA       LEU 110  11.812  -4.348   7.365
  902   1HB   LEU 110           HB2      LEU 110  11.167  -2.052   5.516
  903   2HB   LEU 110           HB3      LEU 110  12.250  -3.369   5.115
  904    HG   LEU 110           HG       LEU 110   9.309  -3.694   5.746
  905   1HD1  LEU 110          1HD1      LEU 110  10.741  -3.645   3.092
  906   2HD1  LEU 110          3HD1      LEU 110   9.049  -4.082   3.334
  907   3HD1  LEU 110          2HD1      LEU 110   9.597  -2.443   3.690
  908   1HD2  LEU 110          1HD2      LEU 110  10.849  -5.641   6.191
  909   2HD2  LEU 110          3HD2      LEU 110   9.540  -5.940   5.048
  910   3HD2  LEU 110          2HD2      LEU 110  11.179  -5.666   4.459
  911    H    ASN 111           H        ASN 111  13.613  -4.086   8.610
  912    HA   ASN 111           HA       ASN 111  14.941  -1.540   8.823
  913   1HB   ASN 111           HB2      ASN 111  15.007  -3.093  10.713
  914   2HB   ASN 111           HB3      ASN 111  15.798  -4.306   9.714
  915   1HD2  ASN 111          1HD2      ASN 111  17.585  -4.428  11.042
  916   2HD2  ASN 111          2HD2      ASN 111  18.763  -3.167  11.134
  917    H    VAL 112           H        VAL 112  15.070  -1.319   6.481
  918    HA   VAL 112           HA       VAL 112  16.380  -2.920   4.691
  919    HB   VAL 112           HB       VAL 112  16.855   0.026   4.525
  920   1HG1  VAL 112          3HG1      VAL 112  17.583  -1.512   2.738
  921   2HG1  VAL 112          2HG1      VAL 112  15.902  -2.004   2.515
  922   3HG1  VAL 112          1HG1      VAL 112  16.385  -0.340   2.184
  923   1HG2  VAL 112          1HG2      VAL 112  14.171  -1.323   4.370
  924   2HG2  VAL 112          3HG2      VAL 112  14.642   0.061   5.357
  925   3HG2  VAL 112          2HG2      VAL 112  14.508   0.230   3.607
  926    H    LYS 113           H        LYS 113  18.443  -3.351   4.119
  927    HA   LYS 113           HA       LYS 113  20.520  -2.677   6.013
  928   1HB   LYS 113           HB2      LYS 113  20.567  -4.383   3.518
  929   2HB   LYS 113           HB3      LYS 113  21.898  -4.226   4.655
  930   1HG   LYS 113           HG2      LYS 113  19.172  -5.265   5.388
  931   2HG   LYS 113           HG3      LYS 113  20.537  -6.286   4.935
  932   1HD   LYS 113           HD2      LYS 113  21.828  -5.421   6.812
  933   2HD   LYS 113           HD3      LYS 113  20.493  -4.352   7.250
  934   1HE   LYS 113           HE2      LYS 113  19.069  -6.286   7.671
  935   2HE   LYS 113           HE3      LYS 113  20.384  -7.365   7.207
  936   1HZ   LYS 113           HZ1      LYS 113  20.425  -5.484   9.505
  937   2HZ   LYS 113           HZ3      LYS 113  20.209  -7.160   9.606
  938   3HZ   LYS 113           HZ2      LYS 113  21.681  -6.527   9.064

  No H/Q in entry =         938
  Start of MODEL   12
    1    H1   GLY  -2           HT2      GLY  -2 -15.096 -21.649  18.237
    2    H2   GLY  -2           HT1      GLY  -2 -15.976 -22.626  19.301
    3    H3   GLY  -2           HT3      GLY  -2 -16.784 -21.542  18.283
    4   1HA   GLY  -2           HA2      GLY  -2 -16.714 -20.680  20.531
    5   2HA   GLY  -2           HA3      GLY  -2 -15.799 -19.666  19.426
    6    H    SER  -1           H        SER  -1 -15.216 -22.600  21.372
    7    HA   SER  -1           HA       SER  -1 -12.968 -21.255  22.659
    8   1HB   SER  -1           HB2      SER  -1 -14.262 -23.930  23.242
    9   2HB   SER  -1           HB3      SER  -1 -12.978 -23.191  24.197
   10    HG   SER  -1           HG       SER  -1 -15.519 -22.859  24.542
   11    H    HIS   0           H        HIS   0 -13.668 -23.955  20.530
   12    HA   HIS   0           HA       HIS   0 -11.063 -25.092  20.586
   13   1HB   HIS   0           HB2      HIS   0 -13.038 -26.372  19.874
   14   2HB   HIS   0           HB3      HIS   0 -13.223 -25.315  18.478
   15    HD1  HIS   0           HD1      HIS   0 -11.910 -25.893  16.419
   16    HD2  HIS   0           HD2      HIS   0 -10.681 -28.043  19.756
   17    HE1  HIS   0           HE1      HIS   0 -10.297 -27.617  15.552
   18    HE2  HIS   0           HE2      HIS   0  -9.506 -28.854  17.600
   19    H    MET   1           H        MET   1 -12.703 -22.876  18.350
   20    HA   MET   1           HA       MET   1 -10.182 -22.448  16.927
   21   1HB   MET   1           HB2      MET   1 -12.979 -21.492  16.290
   22   2HB   MET   1           HB3      MET   1 -11.561 -21.229  15.284
   23   1HG   MET   1           HG2      MET   1 -11.330 -23.637  14.973
   24   2HG   MET   1           HG3      MET   1 -12.747 -23.905  15.987
   25   1HE   MET   1           HE2      MET   1 -13.826 -25.379  14.054
   26   2HE   MET   1           HE1      MET   1 -14.038 -24.815  12.397
   27   3HE   MET   1           HE3      MET   1 -12.417 -25.095  13.033
   28    H    ILE   2           H        ILE   2  -9.482 -20.262  16.444
   29    HA   ILE   2           HA       ILE   2  -9.684 -18.565  18.775
   30    HB   ILE   2           HB       ILE   2  -8.140 -18.113  16.218
   31   1HG1  ILE   2          2HG1      ILE   2  -7.184 -19.212  18.871
   32   2HG1  ILE   2          3HG1      ILE   2  -7.492 -20.186  17.438
   33   1HG2  ILE   2          3HG2      ILE   2  -8.541 -16.060  17.462
   34   2HG2  ILE   2          2HG2      ILE   2  -7.906 -16.809  18.927
   35   3HG2  ILE   2          1HG2      ILE   2  -6.841 -16.520  17.551
   36   1HD1  ILE   2          1HD1      ILE   2  -5.741 -18.978  16.243
   37   2HD1  ILE   2          3HD1      ILE   2  -5.427 -18.012  17.685
   38   3HD1  ILE   2          2HD1      ILE   2  -5.126 -19.751  17.704
   39    H    ALA   3           H        ALA   3 -10.743 -18.541  15.428
   40    HA   ALA   3           HA       ALA   3 -12.159 -17.197  14.260
   41   1HB   ALA   3           HB3      ALA   3 -13.708 -17.854  16.039
   42   2HB   ALA   3           HB2      ALA   3 -13.187 -16.471  17.001
   43   3HB   ALA   3           HB1      ALA   3 -14.027 -16.215  15.471
   44    HA   PRO   4           HA       PRO   4  -9.348 -13.561  14.694
   45   1HB   PRO   4           HB2      PRO   4 -10.075 -13.411  11.819
   46   2HB   PRO   4           HB3      PRO   4  -8.486 -13.314  12.585
   47   1HG   PRO   4           HG2      PRO   4  -9.235 -15.503  11.260
   48   2HG   PRO   4           HG3      PRO   4  -8.280 -15.617  12.750
   49   1HD   PRO   4           HD2      PRO   4 -11.202 -16.094  12.327
   50   2HD   PRO   4           HD3      PRO   4 -10.055 -16.968  13.362
   51    H    LEU   5           H        LEU   5 -10.359 -11.898  15.629
   52    HA   LEU   5           HA       LEU   5 -12.500 -10.555  14.136
   53   1HB   LEU   5           HB2      LEU   5 -12.548 -11.185  17.088
   54   2HB   LEU   5           HB3      LEU   5 -13.690 -10.133  16.276
   55    HG   LEU   5           HG       LEU   5 -13.331 -13.075  15.690
   56   1HD1  LEU   5          3HD1      LEU   5 -15.495 -11.633  17.215
   57   2HD1  LEU   5          2HD1      LEU   5 -15.501 -13.343  16.788
   58   3HD1  LEU   5          1HD1      LEU   5 -14.284 -12.716  17.899
   59   1HD2  LEU   5          1HD2      LEU   5 -15.370 -11.085  14.704
   60   2HD2  LEU   5          3HD2      LEU   5 -14.088 -11.826  13.747
   61   3HD2  LEU   5          2HD2      LEU   5 -15.394 -12.820  14.392
   62    H    SER   6           H        SER   6 -10.709 -10.160  17.200
   63    HA   SER   6           HA       SER   6 -10.086  -7.405  16.361
   64   1HB   SER   6           HB2      SER   6 -11.513  -7.490  18.352
   65   2HB   SER   6           HB3      SER   6 -10.340  -8.527  19.163
   66    HG   SER   6           HG       SER   6  -9.974  -5.840  18.335
   67    H    VAL   7           H        VAL   7  -8.819 -10.352  17.798
   68    HA   VAL   7           HA       VAL   7  -6.140  -9.255  18.009
   69    HB   VAL   7           HB       VAL   7  -7.137 -12.062  18.524
   70   1HG1  VAL   7          1HG1      VAL   7  -4.482 -10.773  19.150
   71   2HG1  VAL   7          3HG1      VAL   7  -4.998 -12.365  19.708
   72   3HG1  VAL   7          2HG1      VAL   7  -4.775 -12.064  17.984
   73   1HG2  VAL   7          3HG2      VAL   7  -8.114 -10.438  20.053
   74   2HG2  VAL   7          2HG2      VAL   7  -6.951 -11.464  20.893
   75   3HG2  VAL   7          1HG2      VAL   7  -6.509  -9.818  20.439
   76    H    LYS   8           H        LYS   8  -4.547  -9.504  16.565
   77    HA   LYS   8           HA       LYS   8  -4.276 -11.664  14.787
   78   1HB   LYS   8           HB2      LYS   8  -6.215 -10.605  13.682
   79   2HB   LYS   8           HB3      LYS   8  -5.301  -9.113  13.527
   80   1HG   LYS   8           HG2      LYS   8  -5.281 -10.269  11.430
   81   2HG   LYS   8           HG3      LYS   8  -3.658 -10.307  12.122
   82   1HD   LYS   8           HD2      LYS   8  -4.049 -12.582  12.926
   83   2HD   LYS   8           HD3      LYS   8  -5.678 -12.546  12.248
   84   1HE   LYS   8           HE2      LYS   8  -4.149 -13.740  10.775
   85   2HE   LYS   8           HE3      LYS   8  -4.745 -12.269  10.008
   86   1HZ   LYS   8           HZ2      LYS   8  -2.672 -11.169  10.589
   87   2HZ   LYS   8           HZ1      LYS   8  -2.100 -12.582  11.323
   88   3HZ   LYS   8           HZ3      LYS   8  -2.376 -12.547   9.654
   89    H    ASP   9           H        ASP   9  -2.239 -11.722  14.037
   90    HA   ASP   9           HA       ASP   9  -0.440  -9.626  14.863
   91   1HB   ASP   9           HB2      ASP   9   0.129 -12.055  15.055
   92   2HB   ASP   9           HB3      ASP   9   0.187 -12.134  13.297
   93    H    ASN  10           H        ASN  10   0.013  -7.916  13.658
   94    HA   ASN  10           HA       ASN  10  -0.154  -8.166  10.737
   95   1HB   ASN  10           HB2      ASN  10  -0.435  -5.500  11.175
   96   2HB   ASN  10           HB3      ASN  10  -1.772  -6.622  10.954
   97   1HD2  ASN  10          1HD2      ASN  10  -0.035  -4.616  13.144
   98   2HD2  ASN  10          2HD2      ASN  10  -1.104  -4.781  14.492
   99    H    ASP  11           H        ASP  11   0.973  -5.420  12.537
  100    HA   ASP  11           HA       ASP  11   3.058  -4.618  11.127
  101   1HB   ASP  11           HB2      ASP  11   4.163  -4.044  13.422
  102   2HB   ASP  11           HB3      ASP  11   2.631  -3.301  12.978
  103    H    LYS  12           H        LYS  12   4.360  -5.980  10.086
  104    HA   LYS  12           HA       LYS  12   5.732  -8.107  11.507
  105   1HB   LYS  12           HB2      LYS  12   4.975  -8.791   9.389
  106   2HB   LYS  12           HB3      LYS  12   5.512  -7.305   8.618
  107   1HG   LYS  12           HG2      LYS  12   7.806  -7.963   8.830
  108   2HG   LYS  12           HG3      LYS  12   7.351  -9.400   9.748
  109   1HD   LYS  12           HD2      LYS  12   6.207 -10.315   7.829
  110   2HD   LYS  12           HD3      LYS  12   6.505  -8.840   6.907
  111   1HE   LYS  12           HE2      LYS  12   8.905  -9.242   7.022
  112   2HE   LYS  12           HE3      LYS  12   8.625 -10.701   7.972
  113   1HZ   LYS  12           HZ3      LYS  12   7.703 -10.249   5.185
  114   2HZ   LYS  12           HZ2      LYS  12   9.009 -11.220   5.646
  115   3HZ   LYS  12           HZ1      LYS  12   7.437 -11.651   6.094
  116    H    TRP  13           H        TRP  13   7.288  -7.290  12.782
  117    HA   TRP  13           HA       TRP  13   9.010  -5.147  11.945
  118   1HB   TRP  13           HB2      TRP  13   9.464  -6.830  14.382
  119   2HB   TRP  13           HB3      TRP  13   9.749  -5.111  14.146
  120    HD1  TRP  13           HD1      TRP  13   6.872  -7.581  14.779
  121    HE1  TRP  13           HE1      TRP  13   4.868  -6.286  15.740
  122    HE3  TRP  13           HE3      TRP  13   8.717  -2.827  14.402
  123    HZ2  TRP  13           HZ2      TRP  13   4.149  -3.602  16.261
  124    HZ3  TRP  13           HZ3      TRP  13   7.313  -0.956  15.163
  125    HH2  TRP  13           HH2      TRP  13   5.083  -1.336  16.077
  126    H    VAL  14           H        VAL  14  10.485  -5.628  10.391
  127    HA   VAL  14           HA       VAL  14  12.478  -7.652  11.034
  128    HB   VAL  14           HB       VAL  14  10.533  -8.772   9.766
  129   1HG1  VAL  14          3HG1      VAL  14  11.845  -7.285   7.506
  130   2HG1  VAL  14          2HG1      VAL  14  10.734  -8.639   7.303
  131   3HG1  VAL  14          1HG1      VAL  14  10.174  -7.142   8.048
  132   1HG2  VAL  14          3HG2      VAL  14  13.044  -9.494  10.085
  133   2HG2  VAL  14          2HG2      VAL  14  11.943 -10.404   9.053
  134   3HG2  VAL  14          1HG2      VAL  14  13.081  -9.265   8.337
  135    H    ASP  15           H        ASP  15  13.964  -7.857   8.973
  136    HA   ASP  15           HA       ASP  15  14.796  -5.123   8.331
  137   1HB   ASP  15           HB2      ASP  15  16.175  -7.755   8.608
  138   2HB   ASP  15           HB3      ASP  15  16.907  -6.526   7.576
  139    H    THR  16           H        THR  16  16.235  -5.316   6.091
  140    HA   THR  16           HA       THR  16  15.158  -6.940   4.043
  141    HB   THR  16           HB       THR  16  13.232  -5.314   4.587
  142    HG1  THR  16           HG1      THR  16  13.874  -6.564   2.467
  143   1HG2  THR  16          1HG2      THR  16  14.636  -3.281   4.650
  144   2HG2  THR  16          3HG2      THR  16  14.948  -3.477   2.926
  145   3HG2  THR  16          2HG2      THR  16  13.310  -3.159   3.493
  146    H    HIS  17           H        HIS  17  15.478  -5.614   1.797
  147    HA   HIS  17           HA       HIS  17  18.208  -4.512   1.910
  148   1HB   HIS  17           HB2      HIS  17  16.876  -6.410   0.035
  149   2HB   HIS  17           HB3      HIS  17  18.096  -5.327  -0.621
  150    HD1  HIS  17           HD1      HIS  17  20.492  -5.981  -0.269
  151    HD2  HIS  17           HD2      HIS  17  17.880  -8.171   2.107
  152    HE1  HIS  17           HE1      HIS  17  21.897  -7.772   0.800
  153    HE2  HIS  17           HE2      HIS  17  20.279  -9.135   2.167
  154    H    VAL  18           H        VAL  18  18.402  -3.512  -0.654
  155    HA   VAL  18           HA       VAL  18  16.660  -1.190  -0.430
  156    HB   VAL  18           HB       VAL  18  18.957  -1.640  -2.337
  157   1HG1  VAL  18          3HG1      VAL  18  17.437   0.857  -1.582
  158   2HG1  VAL  18          2HG1      VAL  18  18.888   0.814  -2.583
  159   3HG1  VAL  18          1HG1      VAL  18  17.406   0.039  -3.144
  160   1HG2  VAL  18          3HG2      VAL  18  19.710  -1.697  -0.019
  161   2HG2  VAL  18          2HG2      VAL  18  20.251  -0.221  -0.818
  162   3HG2  VAL  18          1HG2      VAL  18  18.886  -0.169   0.297
  163    H    GLY  19           H        GLY  19  14.989  -0.769  -1.667
  164   1HA   GLY  19           HA3      GLY  19  14.701  -1.332  -4.388
  165   2HA   GLY  19           HA2      GLY  19  13.395  -0.935  -3.290
  166    H    LYS  20           H        LYS  20  14.366  -3.484  -1.742
  167    HA   LYS  20           HA       LYS  20  13.796  -5.674  -3.418
  168   1HB   LYS  20           HB2      LYS  20  14.680  -5.398  -0.849
  169   2HB   LYS  20           HB3      LYS  20  13.048  -5.978  -0.588
  170   1HG   LYS  20           HG2      LYS  20  14.314  -7.914  -0.653
  171   2HG   LYS  20           HG3      LYS  20  13.636  -7.808  -2.282
  172   1HD   LYS  20           HD2      LYS  20  15.659  -7.036  -3.186
  173   2HD   LYS  20           HD3      LYS  20  16.296  -6.639  -1.596
  174   1HE   LYS  20           HE2      LYS  20  15.762  -9.416  -2.645
  175   2HE   LYS  20           HE3      LYS  20  17.347  -8.656  -2.504
  176   1HZ   LYS  20           HZ3      LYS  20  17.038  -8.543  -0.110
  177   2HZ   LYS  20           HZ2      LYS  20  15.520  -9.275  -0.246
  178   3HZ   LYS  20           HZ1      LYS  20  16.916 -10.141  -0.654
  179    H    THR  21           H        THR  21  11.990  -5.041  -4.620
  180    HA   THR  21           HA       THR  21   9.580  -4.071  -3.780
  181    HB   THR  21           HB       THR  21   9.746  -6.205  -5.897
  182    HG1  THR  21           HG1      THR  21  11.307  -4.892  -6.612
  183   1HG2  THR  21          1HG2      THR  21   7.518  -5.356  -5.337
  184   2HG2  THR  21          3HG2      THR  21   8.071  -3.705  -5.619
  185   3HG2  THR  21          2HG2      THR  21   7.999  -4.852  -6.958
  186    H    THR  22           H        THR  22   8.627  -4.795  -1.970
  187    HA   THR  22           HA       THR  22   8.167  -7.666  -1.642
  188    HB   THR  22           HB       THR  22   7.728  -5.348   0.256
  189    HG1  THR  22           HG1      THR  22   9.361  -7.107   1.276
  190   1HG2  THR  22          3HG2      THR  22   6.032  -7.077   0.633
  191   2HG2  THR  22          2HG2      THR  22   7.298  -8.300   0.737
  192   3HG2  THR  22          1HG2      THR  22   7.196  -7.028   1.957
  193    H    GLU  23           H        GLU  23   6.542  -8.234  -2.934
  194    HA   GLU  23           HA       GLU  23   4.178  -6.645  -3.256
  195   1HB   GLU  23           HB2      GLU  23   5.190  -7.991  -5.077
  196   2HB   GLU  23           HB3      GLU  23   4.791  -9.451  -4.182
  197   1HG   GLU  23           HG2      GLU  23   2.460  -9.057  -4.416
  198   2HG   GLU  23           HG3      GLU  23   2.752  -7.441  -5.059
  199    H    ILE  24           H        ILE  24   2.316  -6.836  -2.208
  200    HA   ILE  24           HA       ILE  24   1.787  -9.263  -0.653
  201    HB   ILE  24           HB       ILE  24   1.418  -6.479   0.425
  202   1HG1  ILE  24          2HG1      ILE  24   3.472  -8.580   1.125
  203   2HG1  ILE  24          3HG1      ILE  24   3.792  -7.062   0.297
  204   1HG2  ILE  24          3HG2      ILE  24  -0.230  -8.108   1.220
  205   2HG2  ILE  24          2HG2      ILE  24   1.078  -9.168   1.747
  206   3HG2  ILE  24          1HG2      ILE  24   0.852  -7.597   2.516
  207   1HD1  ILE  24          2HD1      ILE  24   2.790  -7.339   3.119
  208   2HD1  ILE  24          1HD1      ILE  24   4.442  -6.961   2.634
  209   3HD1  ILE  24          3HD1      ILE  24   3.139  -5.826   2.284
  210    H    HIS  25           H        HIS  25   0.085  -9.995  -1.758
  211    HA   HIS  25           HA       HIS  25  -2.035  -8.224  -2.611
  212   1HB   HIS  25           HB2      HIS  25  -2.314 -11.192  -2.663
  213   2HB   HIS  25           HB3      HIS  25  -2.861 -10.001  -3.830
  214    HD1  HIS  25           HD1      HIS  25  -0.391 -12.537  -3.436
  215    HD2  HIS  25           HD2      HIS  25  -0.507  -8.813  -5.272
  216    HE1  HIS  25           HE1      HIS  25   1.504 -12.544  -5.087
  217    HE2  HIS  25           HE2      HIS  25   1.315 -10.340  -6.290
  218    H    LEU  26           H        LEU  26  -3.334  -7.499  -1.056
  219    HA   LEU  26           HA       LEU  26  -4.098  -9.310   1.130
  220   1HB   LEU  26           HB2      LEU  26  -4.486  -6.331   0.978
  221   2HB   LEU  26           HB3      LEU  26  -4.690  -7.348   2.389
  222    HG   LEU  26           HG       LEU  26  -2.001  -7.194   1.089
  223   1HD1  LEU  26          2HD1      LEU  26  -2.695  -4.869   1.306
  224   2HD1  LEU  26          1HD1      LEU  26  -3.119  -5.143   2.996
  225   3HD1  LEU  26          3HD1      LEU  26  -1.437  -5.263   2.478
  226   1HD2  LEU  26          1HD2      LEU  26  -2.577  -8.778   2.966
  227   2HD2  LEU  26          3HD2      LEU  26  -1.203  -7.712   3.259
  228   3HD2  LEU  26          2HD2      LEU  26  -2.766  -7.358   3.997
  229    H    LYS  27           H        LYS  27  -6.259  -9.678   1.585
  230    HA   LYS  27           HA       LYS  27  -8.078  -9.016  -0.604
  231   1HB   LYS  27           HB2      LYS  27  -8.468 -10.966   1.664
  232   2HB   LYS  27           HB3      LYS  27  -9.514 -10.773   0.268
  233   1HG   LYS  27           HG2      LYS  27  -8.014 -11.764  -1.171
  234   2HG   LYS  27           HG3      LYS  27  -6.630 -11.440  -0.131
  235   1HD   LYS  27           HD2      LYS  27  -7.014 -13.757   0.044
  236   2HD   LYS  27           HD3      LYS  27  -7.694 -13.066   1.517
  237   1HE   LYS  27           HE2      LYS  27  -9.316 -13.691  -0.942
  238   2HE   LYS  27           HE3      LYS  27  -9.112 -14.810   0.404
  239   1HZ   LYS  27           HZ3      LYS  27 -10.066 -13.070   1.862
  240   2HZ   LYS  27           HZ2      LYS  27 -10.396 -12.136   0.491
  241   3HZ   LYS  27           HZ1      LYS  27 -11.150 -13.635   0.691
  242    H    GLY  28           H        GLY  28 -10.342  -8.519  -0.022
  243   1HA   GLY  28           HA3      GLY  28 -10.334  -6.333   1.880
  244   2HA   GLY  28           HA2      GLY  28 -11.401  -7.662   2.292
  245    H    ASN  29           H        ASN  29 -12.264  -5.018   1.790
  246    HA   ASN  29           HA       ASN  29 -13.195  -4.656  -0.852
  247   1HB   ASN  29           HB2      ASN  29 -14.559  -6.665  -0.106
  248   2HB   ASN  29           HB3      ASN  29 -15.343  -5.593   1.050
  249   1HD2  ASN  29          1HD2      ASN  29 -16.625  -3.880   0.270
  250   2HD2  ASN  29          2HD2      ASN  29 -17.301  -3.925  -1.319
  251    HA   PRO  30           HA       PRO  30 -13.781  -0.730   1.169
  252   1HB   PRO  30           HB2      PRO  30 -14.492   0.735  -0.959
  253   2HB   PRO  30           HB3      PRO  30 -12.850   0.109  -0.771
  254   1HG   PRO  30           HG2      PRO  30 -15.096  -0.925  -2.455
  255   2HG   PRO  30           HG3      PRO  30 -13.375  -0.784  -2.850
  256   1HD   PRO  30           HD2      PRO  30 -14.597  -3.116  -2.043
  257   2HD   PRO  30           HD3      PRO  30 -12.865  -2.779  -1.859
  258    H    THR  31           H        THR  31 -16.314  -1.625  -1.193
  259    HA   THR  31           HA       THR  31 -18.308  -0.017   0.049
  260    HB   THR  31           HB       THR  31 -19.899  -1.160  -1.441
  261    HG1  THR  31           HG1      THR  31 -18.954  -3.244  -1.429
  262   1HG2  THR  31          3HG2      THR  31 -17.314  -0.383  -2.796
  263   2HG2  THR  31          2HG2      THR  31 -18.895  -0.476  -3.573
  264   3HG2  THR  31          1HG2      THR  31 -18.603   0.720  -2.309
  265    H    THR  32           H        THR  32 -16.870  -2.672   1.235
  266    HA   THR  32           HA       THR  32 -19.330  -3.699   2.487
  267    HB   THR  32           HB       THR  32 -16.667  -5.062   2.075
  268    HG1  THR  32           HG1      THR  32 -18.435  -6.558   1.068
  269   1HG2  THR  32          1HG2      THR  32 -19.122  -6.043   3.535
  270   2HG2  THR  32          3HG2      THR  32 -17.724  -7.035   3.117
  271   3HG2  THR  32          2HG2      THR  32 -17.547  -5.695   4.249
  272    H    GLY  33           H        GLY  33 -15.872  -3.170   3.210
  273   1HA   GLY  33           HA3      GLY  33 -15.330  -3.450   5.669
  274   2HA   GLY  33           HA2      GLY  33 -16.694  -2.376   5.931
  275    H    TYR  34           H        TYR  34 -13.374  -2.579   5.468
  276    HA   TYR  34           HA       TYR  34 -13.206   0.342   5.115
  277   1HB   TYR  34           HB2      TYR  34 -11.249  -1.475   6.536
  278   2HB   TYR  34           HB3      TYR  34 -11.147   0.275   6.428
  279    HD1  TYR  34           HD1      TYR  34 -13.828  -2.158   7.428
  280    HD2  TYR  34           HD2      TYR  34 -11.564   1.307   8.443
  281    HE1  TYR  34           HE1      TYR  34 -15.080  -1.959   9.533
  282    HE2  TYR  34           HE2      TYR  34 -12.817   1.511  10.546
  283    HH   TYR  34           HH       TYR  34 -14.799  -0.963  11.757
  284    H    MET  35           H        MET  35 -10.558   0.646   4.656
  285    HA   MET  35           HA       MET  35 -10.068  -0.790   2.146
  286   1HB   MET  35           HB2      MET  35 -10.382   1.399   1.434
  287   2HB   MET  35           HB3      MET  35  -9.748   2.080   2.927
  288   1HG   MET  35           HG2      MET  35  -7.487   1.332   2.245
  289   2HG   MET  35           HG3      MET  35  -8.169   0.813   0.719
  290   1HE   MET  35           HE3      MET  35 -10.167   2.832  -0.173
  291   2HE   MET  35           HE2      MET  35  -9.279   4.147  -0.942
  292   3HE   MET  35           HE1      MET  35  -8.841   2.473  -1.278
  293    H    TRP  36           H        TRP  36  -7.881  -1.260   1.661
  294    HA   TRP  36           HA       TRP  36  -6.139  -1.310   4.028
  295   1HB   TRP  36           HB2      TRP  36  -6.706  -3.267   1.904
  296   2HB   TRP  36           HB3      TRP  36  -5.017  -3.097   2.341
  297    HD1  TRP  36           HD1      TRP  36  -7.894  -5.099   3.215
  298    HE1  TRP  36           HE1      TRP  36  -7.661  -6.146   5.554
  299    HE3  TRP  36           HE3      TRP  36  -4.029  -2.267   4.980
  300    HZ2  TRP  36           HZ2      TRP  36  -6.047  -5.811   7.847
  301    HZ3  TRP  36           HZ3      TRP  36  -3.198  -2.693   7.250
  302    HH2  TRP  36           HH2      TRP  36  -4.190  -4.426   8.654
  303    H    THR  37           H        THR  37  -5.201   0.696   3.702
  304    HA   THR  37           HA       THR  37  -3.340   0.808   1.425
  305    HB   THR  37           HB       THR  37  -5.308   2.261   0.950
  306    HG1  THR  37           HG1      THR  37  -3.296   2.851   0.080
  307   1HG2  THR  37          2HG2      THR  37  -4.333   3.769   3.381
  308   2HG2  THR  37          1HG2      THR  37  -5.571   4.330   2.256
  309   3HG2  THR  37          3HG2      THR  37  -5.858   2.894   3.239
  310    H    ARG  38           H        ARG  38  -2.095   3.265   2.104
  311    HA   ARG  38           HA       ARG  38  -0.704   2.420   4.518
  312   1HB   ARG  38           HB2      ARG  38  -0.023   4.102   2.185
  313   2HB   ARG  38           HB3      ARG  38   0.668   4.603   3.713
  314   1HG   ARG  38           HG2      ARG  38   1.802   2.575   3.997
  315   2HG   ARG  38           HG3      ARG  38   0.918   1.822   2.667
  316   1HD   ARG  38           HD2      ARG  38   3.263   2.552   2.158
  317   2HD   ARG  38           HD3      ARG  38   2.044   3.119   1.054
  318    HE   ARG  38           HE       ARG  38   2.275   5.295   2.028
  319   1HH1  ARG  38          1HH1      ARG  38   4.600   2.942   3.120
  320   2HH1  ARG  38          2HH1      ARG  38   5.783   4.124   3.572
  321   1HH2  ARG  38          1HH2      ARG  38   3.846   6.862   2.599
  322   2HH2  ARG  38          2HH2      ARG  38   5.353   6.348   3.280
  323    H    VAL  39           H        VAL  39  -0.191   3.916   6.229
  324    HA   VAL  39           HA       VAL  39  -2.477   5.430   7.040
  325    HB   VAL  39           HB       VAL  39   0.237   5.322   8.363
  326   1HG1  VAL  39          2HG1      VAL  39  -2.491   6.021   9.444
  327   2HG1  VAL  39          1HG1      VAL  39  -1.011   5.899  10.395
  328   3HG1  VAL  39          3HG1      VAL  39  -1.162   7.144   9.156
  329   1HG2  VAL  39          2HG2      VAL  39  -0.978   3.093   7.917
  330   2HG2  VAL  39          1HG2      VAL  39  -0.398   3.427   9.551
  331   3HG2  VAL  39          3HG2      VAL  39  -2.107   3.635   9.157
  332    H    GLY  40           H        GLY  40  -2.829   7.572   6.967
  333   1HA   GLY  40           HA3      GLY  40  -0.650   9.450   6.645
  334   2HA   GLY  40           HA2      GLY  40  -2.355   9.844   6.809
  335    H    PHE  41           H        PHE  41  -2.366   7.566   4.531
  336    HA   PHE  41           HA       PHE  41  -2.189   9.536   2.354
  337   1HB   PHE  41           HB2      PHE  41  -1.303   6.652   2.169
  338   2HB   PHE  41           HB3      PHE  41  -1.188   7.869   0.902
  339    HD1  PHE  41           HD1      PHE  41   0.294   9.890   1.333
  340    HD2  PHE  41           HD2      PHE  41   0.390   6.371   3.716
  341    HE1  PHE  41           HE1      PHE  41   2.513  10.535   2.182
  342    HE2  PHE  41           HE2      PHE  41   2.610   7.005   4.572
  343    HZ   PHE  41           HZ       PHE  41   3.673   9.091   3.806
  344    H    VAL  42           H        VAL  42  -4.079   7.539   4.085
  345    HA   VAL  42           HA       VAL  42  -5.639   6.103   2.310
  346    HB   VAL  42           HB       VAL  42  -6.712   7.562   4.724
  347   1HG1  VAL  42          2HG1      VAL  42  -8.346   6.485   3.205
  348   2HG1  VAL  42          1HG1      VAL  42  -7.539   4.943   3.493
  349   3HG1  VAL  42          3HG1      VAL  42  -8.324   5.791   4.825
  350   1HG2  VAL  42          2HG2      VAL  42  -4.559   6.257   5.092
  351   2HG2  VAL  42          1HG2      VAL  42  -5.935   5.844   6.113
  352   3HG2  VAL  42          3HG2      VAL  42  -5.512   4.814   4.748
  353    H    GLY  43           H        GLY  43  -6.770   6.718   0.599
  354   1HA   GLY  43           HA3      GLY  43  -8.277   9.233   0.704
  355   2HA   GLY  43           HA2      GLY  43  -8.554   7.911  -0.421
  356    H    LYS  44           H        LYS  44  -5.355   9.111   0.235
  357    HA   LYS  44           HA       LYS  44  -5.213  10.990  -1.878
  358   1HB   LYS  44           HB2      LYS  44  -3.025   9.493  -0.426
  359   2HB   LYS  44           HB3      LYS  44  -2.771  10.865  -1.487
  360   1HG   LYS  44           HG2      LYS  44  -4.211  12.218   0.043
  361   2HG   LYS  44           HG3      LYS  44  -4.212  10.840   1.149
  362   1HD   LYS  44           HD2      LYS  44  -1.769  10.946   1.278
  363   2HD   LYS  44           HD3      LYS  44  -1.771  12.326   0.179
  364   1HE   LYS  44           HE2      LYS  44  -3.069  12.231   2.897
  365   2HE   LYS  44           HE3      LYS  44  -1.549  13.035   2.508
  366   1HZ   LYS  44           HZ2      LYS  44  -2.751  14.495   1.004
  367   2HZ   LYS  44           HZ1      LYS  44  -4.209  13.724   1.380
  368   3HZ   LYS  44           HZ3      LYS  44  -3.383  14.601   2.569
  369    H    ASP  45           H        ASP  45  -3.448  10.691  -3.621
  370    HA   ASP  45           HA       ASP  45  -4.224   8.475  -5.247
  371   1HB   ASP  45           HB2      ASP  45  -2.276  10.745  -5.602
  372   2HB   ASP  45           HB3      ASP  45  -2.491   9.491  -6.813
  373    H    VAL  46           H        VAL  46  -1.028   9.603  -4.169
  374    HA   VAL  46           HA       VAL  46  -0.064   6.826  -4.309
  375    HB   VAL  46           HB       VAL  46   1.103   8.526  -5.714
  376   1HG1  VAL  46          3HG1      VAL  46   0.903  10.437  -4.222
  377   2HG1  VAL  46          2HG1      VAL  46   1.961   9.648  -3.052
  378   3HG1  VAL  46          1HG1      VAL  46   2.592  10.132  -4.627
  379   1HG2  VAL  46          3HG2      VAL  46   2.750   7.246  -3.535
  380   2HG2  VAL  46          2HG2      VAL  46   2.234   6.482  -5.039
  381   3HG2  VAL  46          1HG2      VAL  46   3.370   7.830  -5.080
  382    H    LEU  47           H        LEU  47   0.929   5.878  -2.603
  383    HA   LEU  47           HA       LEU  47   0.505   7.132  -0.008
  384   1HB   LEU  47           HB2      LEU  47   1.580   4.377  -0.391
  385   2HB   LEU  47           HB3      LEU  47   0.610   5.008   0.922
  386    HG   LEU  47           HG       LEU  47  -0.388   4.440  -1.871
  387   1HD1  LEU  47          3HD1      LEU  47  -0.830   2.951   0.713
  388   2HD1  LEU  47          2HD1      LEU  47  -1.611   2.595  -0.828
  389   3HD1  LEU  47          1HD1      LEU  47   0.134   2.397  -0.656
  390   1HD2  LEU  47          2HD2      LEU  47  -1.862   5.309   0.609
  391   2HD2  LEU  47          1HD2      LEU  47  -1.596   6.275  -0.842
  392   3HD2  LEU  47          3HD2      LEU  47  -2.610   4.832  -0.915
  393    H    SER  48           H        SER  48   3.070   5.424  -1.745
  394    HA   SER  48           HA       SER  48   5.193   5.833  -0.050
  395   1HB   SER  48           HB2      SER  48   6.596   5.398  -1.942
  396   2HB   SER  48           HB3      SER  48   5.133   4.446  -2.150
  397    HG   SER  48           HG       SER  48   5.254   5.387  -4.059
  398    H    ASP  49           H        ASP  49   7.214   7.211  -0.940
  399    HA   ASP  49           HA       ASP  49   6.502   9.861  -1.827
  400   1HB   ASP  49           HB2      ASP  49   7.355   9.358   1.019
  401   2HB   ASP  49           HB3      ASP  49   7.589  10.917   0.235
  402    H    GLU  50           H        GLU  50   9.178   9.242   0.324
  403    HA   GLU  50           HA       GLU  50  11.022   9.210  -1.966
  404   1HB   GLU  50           HB2      GLU  50  12.511  10.697  -0.754
  405   2HB   GLU  50           HB3      GLU  50  10.923  11.438  -0.920
  406   1HG   GLU  50           HG2      GLU  50  10.376  10.811   1.366
  407   2HG   GLU  50           HG3      GLU  50  11.963  10.062   1.545
  408    H    ILE  51           H        ILE  51  10.280   8.202   1.286
  409    HA   ILE  51           HA       ILE  51  12.737   6.815   1.758
  410    HB   ILE  51           HB       ILE  51  10.094   6.367   3.138
  411   1HG1  ILE  51          2HG1      ILE  51  10.712   8.773   3.077
  412   2HG1  ILE  51          3HG1      ILE  51  10.712   8.099   4.699
  413   1HG2  ILE  51          3HG2      ILE  51  12.949   5.923   3.993
  414   2HG2  ILE  51          2HG2      ILE  51  11.544   5.751   5.045
  415   3HG2  ILE  51          1HG2      ILE  51  11.738   4.687   3.653
  416   1HD1  ILE  51          3HD1      ILE  51  13.167   8.519   3.013
  417   2HD1  ILE  51          2HD1      ILE  51  12.606   9.609   4.282
  418   3HD1  ILE  51          1HD1      ILE  51  13.121   7.971   4.689
  419    H    LEU  52           H        LEU  52   9.541   5.318   1.893
  420    HA   LEU  52           HA       LEU  52  10.625   2.985   0.489
  421   1HB   LEU  52           HB2      LEU  52   8.478   3.437   2.479
  422   2HB   LEU  52           HB3      LEU  52   8.191   2.174   1.299
  423    HG   LEU  52           HG       LEU  52  10.696   2.262   2.953
  424   1HD1  LEU  52          3HD1      LEU  52   8.095   0.890   3.607
  425   2HD1  LEU  52          2HD1      LEU  52   9.622   0.645   4.456
  426   3HD1  LEU  52          1HD1      LEU  52   8.830   2.221   4.500
  427   1HD2  LEU  52          2HD2      LEU  52  10.520   0.864   0.852
  428   2HD2  LEU  52          1HD2      LEU  52  10.956   0.005   2.329
  429   3HD2  LEU  52          3HD2      LEU  52   9.310  -0.090   1.706
  430    H    GLU  53           H        GLU  53  10.293   2.950  -1.658
  431    HA   GLU  53           HA       GLU  53   8.227   4.401  -2.958
  432   1HB   GLU  53           HB2      GLU  53  10.425   2.639  -3.726
  433   2HB   GLU  53           HB3      GLU  53   9.008   2.434  -4.744
  434   1HG   GLU  53           HG2      GLU  53   9.847   5.200  -4.199
  435   2HG   GLU  53           HG3      GLU  53  10.921   4.228  -5.201
  436    H    VAL  54           H        VAL  54   6.561   3.472  -1.427
  437    HA   VAL  54           HA       VAL  54   5.696   0.789  -1.786
  438    HB   VAL  54           HB       VAL  54   4.027   3.047  -0.706
  439   1HG1  VAL  54          2HG1      VAL  54   2.869   0.947  -1.179
  440   2HG1  VAL  54          1HG1      VAL  54   4.025   0.081  -0.166
  441   3HG1  VAL  54          3HG1      VAL  54   2.938   1.268   0.554
  442   1HG2  VAL  54          1HG2      VAL  54   6.258   1.517   0.573
  443   2HG2  VAL  54          3HG2      VAL  54   5.939   3.250   0.598
  444   3HG2  VAL  54          2HG2      VAL  54   4.929   2.151   1.539
  445    H    VAL  55           H        VAL  55   5.496   0.633  -4.074
  446    HA   VAL  55           HA       VAL  55   3.506   2.214  -5.423
  447    HB   VAL  55           HB       VAL  55   4.819  -0.313  -6.402
  448   1HG1  VAL  55          1HG1      VAL  55   2.733   0.513  -7.533
  449   2HG1  VAL  55          3HG1      VAL  55   3.636   1.959  -7.981
  450   3HG1  VAL  55          2HG1      VAL  55   4.149   0.381  -8.577
  451   1HG2  VAL  55          2HG2      VAL  55   6.531   1.320  -5.808
  452   2HG2  VAL  55          1HG2      VAL  55   6.420   1.148  -7.560
  453   3HG2  VAL  55          3HG2      VAL  55   5.704   2.549  -6.765
  454    H    CYS  56           H        CYS  56   1.777   1.767  -4.044
  455    HA   CYS  56           HA       CYS  56   0.707  -0.948  -4.046
  456   1HB   CYS  56           HB2      CYS  56   0.751   0.025  -1.871
  457   2HB   CYS  56           HB3      CYS  56   0.005   1.510  -2.448
  458    HG   CYS  56           HG       CYS  56  -1.508  -1.534  -2.076
  459    H    LYS  57           H        LYS  57  -0.833  -1.526  -5.374
  460    HA   LYS  57           HA       LYS  57  -2.454   0.566  -6.653
  461   1HB   LYS  57           HB2      LYS  57  -2.027  -2.172  -7.794
  462   2HB   LYS  57           HB3      LYS  57  -2.552  -0.714  -8.617
  463   1HG   LYS  57           HG2      LYS  57  -0.332   0.243  -8.401
  464   2HG   LYS  57           HG3      LYS  57   0.209  -1.184  -7.513
  465   1HD   LYS  57           HD2      LYS  57  -0.266  -2.574  -9.481
  466   2HD   LYS  57           HD3      LYS  57  -0.771  -1.134 -10.367
  467   1HE   LYS  57           HE2      LYS  57   1.466  -0.191 -10.122
  468   2HE   LYS  57           HE3      LYS  57   1.975  -1.615  -9.215
  469   1HZ   LYS  57           HZ1      LYS  57   1.060  -1.603 -12.041
  470   2HZ   LYS  57           HZ3      LYS  57   2.665  -1.744 -11.524
  471   3HZ   LYS  57           HZ2      LYS  57   1.552  -2.967 -11.171
  472    H    TYR  58           H        TYR  58  -4.302   0.635  -5.595
  473    HA   TYR  58           HA       TYR  58  -5.499  -1.605  -4.310
  474   1HB   TYR  58           HB2      TYR  58  -5.815   0.795  -3.610
  475   2HB   TYR  58           HB3      TYR  58  -6.801   1.031  -5.051
  476    HD1  TYR  58           HD1      TYR  58  -7.162   0.930  -1.752
  477    HD2  TYR  58           HD2      TYR  58  -8.511  -1.302  -5.136
  478    HE1  TYR  58           HE1      TYR  58  -9.174   0.223  -0.514
  479    HE2  TYR  58           HE2      TYR  58 -10.493  -2.025  -3.898
  480    HH   TYR  58           HH       TYR  58 -11.219  -2.272  -1.563
  481    H    THR  59           H        THR  59  -5.941  -3.253  -5.684
  482    HA   THR  59           HA       THR  59  -7.344  -2.716  -8.190
  483    HB   THR  59           HB       THR  59  -6.400  -5.396  -7.177
  484    HG1  THR  59           HG1      THR  59  -4.705  -4.572  -8.967
  485   1HG2  THR  59          1HG2      THR  59  -7.984  -5.454  -9.039
  486   2HG2  THR  59          3HG2      THR  59  -6.963  -4.347  -9.956
  487   3HG2  THR  59          2HG2      THR  59  -6.379  -5.964  -9.566
  488    HA   PRO  60           HA       PRO  60 -11.074  -4.306  -6.264
  489   1HB   PRO  60           HB2      PRO  60 -12.732  -3.152  -8.122
  490   2HB   PRO  60           HB3      PRO  60 -12.073  -2.307  -6.722
  491   1HG   PRO  60           HG2      PRO  60 -11.503  -1.853  -9.495
  492   2HG   PRO  60           HG3      PRO  60 -10.844  -1.001  -8.089
  493   1HD   PRO  60           HD2      PRO  60  -9.659  -3.184  -9.688
  494   2HD   PRO  60           HD3      PRO  60  -8.871  -1.940  -8.695
  495    H    THR  61           H        THR  61 -13.308  -4.870  -7.857
  496    HA   THR  61           HA       THR  61 -12.546  -6.633 -10.010
  497    HB   THR  61           HB       THR  61 -13.998  -7.931  -7.726
  498    HG1  THR  61           HG1      THR  61 -11.275  -8.454  -8.098
  499   1HG2  THR  61          2HG2      THR  61 -14.132  -9.014  -9.908
  500   2HG2  THR  61          1HG2      THR  61 -12.372  -9.028 -10.019
  501   3HG2  THR  61          3HG2      THR  61 -13.185  -9.989  -8.783
  502    HA   PRO  62           HA       PRO  62 -16.486  -5.237 -11.492
  503   1HB   PRO  62           HB2      PRO  62 -17.047  -7.499 -13.028
  504   2HB   PRO  62           HB3      PRO  62 -16.136  -6.086 -13.568
  505   1HG   PRO  62           HG2      PRO  62 -15.138  -8.709 -12.545
  506   2HG   PRO  62           HG3      PRO  62 -14.495  -7.694 -13.850
  507   1HD   PRO  62           HD2      PRO  62 -13.323  -7.764 -11.450
  508   2HD   PRO  62           HD3      PRO  62 -13.449  -6.241 -12.361
  509    H    SER  63           H        SER  63 -17.871  -5.260  -9.771
  510    HA   SER  63           HA       SER  63 -19.197  -7.817  -9.168
  511   1HB   SER  63           HB2      SER  63 -18.666  -5.455  -7.353
  512   2HB   SER  63           HB3      SER  63 -19.673  -6.833  -6.918
  513    HG   SER  63           HG       SER  63 -17.872  -7.704  -6.295
  514    H    SER  64           H        SER  64 -21.357  -6.985  -7.785
  515    HA   SER  64           HA       SER  64 -23.041  -5.940  -9.851
  516   1HB   SER  64           HB2      SER  64 -23.852  -7.679  -8.324
  517   2HB   SER  64           HB3      SER  64 -23.662  -6.580  -6.957
  518    HG   SER  64           HG       SER  64 -25.397  -5.491  -7.563
  519    H    THR  65           H        THR  65 -21.023  -4.462  -7.698
  520    HA   THR  65           HA       THR  65 -22.560  -2.288  -6.762
  521    HB   THR  65           HB       THR  65 -20.403  -1.165  -6.356
  522    HG1  THR  65           HG1      THR  65 -19.559  -3.032  -8.203
  523   1HG2  THR  65          1HG2      THR  65 -20.401  -4.097  -5.623
  524   2HG2  THR  65          3HG2      THR  65 -19.450  -2.839  -4.833
  525   3HG2  THR  65          2HG2      THR  65 -21.210  -2.806  -4.733
  526    HA   PRO  66           HA       PRO  66 -22.853   0.329 -10.314
  527   1HB   PRO  66           HB2      PRO  66 -22.828   2.791  -9.223
  528   2HB   PRO  66           HB3      PRO  66 -24.175   1.673  -8.974
  529   1HG   PRO  66           HG2      PRO  66 -21.850   2.268  -7.177
  530   2HG   PRO  66           HG3      PRO  66 -23.572   2.154  -6.766
  531   1HD   PRO  66           HD2      PRO  66 -21.836   0.117  -6.344
  532   2HD   PRO  66           HD3      PRO  66 -23.543  -0.154  -6.751
  533    H    MET  67           H        MET  67 -21.762   2.919 -10.586
  534    HA   MET  67           HA       MET  67 -19.111   2.248 -11.455
  535   1HB   MET  67           HB2      MET  67 -20.561   4.902 -11.468
  536   2HB   MET  67           HB3      MET  67 -19.044   4.567 -12.292
  537   1HG   MET  67           HG2      MET  67 -21.695   3.263 -12.866
  538   2HG   MET  67           HG3      MET  67 -20.920   4.517 -13.832
  539   1HE   MET  67           HE2      MET  67 -21.199   2.996 -15.998
  540   2HE   MET  67           HE1      MET  67 -20.622   1.333 -16.104
  541   3HE   MET  67           HE3      MET  67 -21.959   1.736 -15.026
  542    H    VAL  68           H        VAL  68 -20.349   3.174  -8.523
  543    HA   VAL  68           HA       VAL  68 -17.865   4.537  -7.720
  544    HB   VAL  68           HB       VAL  68 -20.506   4.502  -6.254
  545   1HG1  VAL  68          2HG1      VAL  68 -18.585   4.825  -4.792
  546   2HG1  VAL  68          1HG1      VAL  68 -18.007   6.136  -5.820
  547   3HG1  VAL  68          3HG1      VAL  68 -19.519   6.314  -4.930
  548   1HG2  VAL  68          1HG2      VAL  68 -19.295   6.649  -7.993
  549   2HG2  VAL  68          3HG2      VAL  68 -20.733   5.695  -8.357
  550   3HG2  VAL  68          2HG2      VAL  68 -20.745   6.829  -7.006
  551    H    GLY  69           H        GLY  69 -16.450   3.122  -6.906
  552   1HA   GLY  69           HA3      GLY  69 -17.123   1.590  -4.580
  553   2HA   GLY  69           HA2      GLY  69 -15.564   1.624  -5.391
  554    H    VAL  70           H        VAL  70 -15.055  -0.462  -5.689
  555    HA   VAL  70           HA       VAL  70 -17.068  -2.192  -6.954
  556    HB   VAL  70           HB       VAL  70 -14.396  -3.041  -7.586
  557   1HG1  VAL  70          3HG1      VAL  70 -16.415  -3.755  -8.752
  558   2HG1  VAL  70          2HG1      VAL  70 -16.682  -2.104  -9.311
  559   3HG1  VAL  70          1HG1      VAL  70 -15.271  -3.005  -9.864
  560   1HG2  VAL  70          1HG2      VAL  70 -13.934  -0.599  -7.347
  561   2HG2  VAL  70          3HG2      VAL  70 -13.643  -1.239  -8.964
  562   3HG2  VAL  70          2HG2      VAL  70 -15.105  -0.306  -8.634
  563    H    GLY  71           H        GLY  71 -13.839  -3.143  -6.077
  564   1HA   GLY  71           HA3      GLY  71 -14.991  -5.027  -4.134
  565   2HA   GLY  71           HA2      GLY  71 -13.637  -4.014  -3.662
  566    H    GLY  72           H        GLY  72 -11.711  -4.922  -3.788
  567   1HA   GLY  72           HA3      GLY  72 -10.426  -6.124  -5.819
  568   2HA   GLY  72           HA2      GLY  72 -11.385  -7.450  -5.182
  569    H    ILE  73           H        ILE  73  -8.387  -6.309  -5.142
  570    HA   ILE  73           HA       ILE  73  -7.952  -6.965  -2.310
  571    HB   ILE  73           HB       ILE  73  -5.840  -8.025  -2.873
  572   1HG1  ILE  73          2HG1      ILE  73  -6.522  -8.182  -5.760
  573   2HG1  ILE  73          3HG1      ILE  73  -5.768  -6.707  -5.153
  574   1HG2  ILE  73          2HG2      ILE  73  -7.942  -9.334  -2.702
  575   2HG2  ILE  73          1HG2      ILE  73  -8.012  -9.331  -4.465
  576   3HG2  ILE  73          3HG2      ILE  73  -6.653 -10.096  -3.636
  577   1HD1  ILE  73          2HD1      ILE  73  -3.921  -8.032  -4.251
  578   2HD1  ILE  73          1HD1      ILE  73  -4.673  -9.497  -4.885
  579   3HD1  ILE  73          3HD1      ILE  73  -4.097  -8.252  -5.994
  580    H    TYR  74           H        TYR  74  -5.213  -6.548  -2.262
  581    HA   TYR  74           HA       TYR  74  -4.839  -3.779  -3.131
  582   1HB   TYR  74           HB2      TYR  74  -4.070  -4.604  -0.343
  583   2HB   TYR  74           HB3      TYR  74  -4.320  -2.983  -0.987
  584    HD1  TYR  74           HD1      TYR  74  -6.511  -1.994  -1.032
  585    HD2  TYR  74           HD2      TYR  74  -6.023  -6.028   0.220
  586    HE1  TYR  74           HE1      TYR  74  -8.812  -2.013  -0.160
  587    HE2  TYR  74           HE2      TYR  74  -8.316  -6.048   1.081
  588    HH   TYR  74           HH       TYR  74 -10.002  -4.445   1.865
  589    H    VAL  75           H        VAL  75  -3.187  -4.159  -4.535
  590    HA   VAL  75           HA       VAL  75  -1.038  -5.981  -3.821
  591    HB   VAL  75           HB       VAL  75  -1.505  -4.344  -6.317
  592   1HG1  VAL  75          1HG1      VAL  75   0.665  -6.350  -5.711
  593   2HG1  VAL  75          3HG1      VAL  75   0.334  -5.662  -7.300
  594   3HG1  VAL  75          2HG1      VAL  75   0.878  -4.621  -5.984
  595   1HG2  VAL  75          1HG2      VAL  75  -3.070  -6.196  -6.003
  596   2HG2  VAL  75          3HG2      VAL  75  -1.981  -6.497  -7.357
  597   3HG2  VAL  75          2HG2      VAL  75  -1.715  -7.310  -5.815
  598    H    VAL  76           H        VAL  76   0.244  -5.105  -2.290
  599    HA   VAL  76           HA       VAL  76   1.182  -2.351  -2.655
  600    HB   VAL  76           HB       VAL  76   1.581  -4.137  -0.256
  601   1HG1  VAL  76          2HG1      VAL  76   1.950  -1.174  -0.676
  602   2HG1  VAL  76          1HG1      VAL  76   2.039  -1.986   0.888
  603   3HG1  VAL  76          3HG1      VAL  76   3.211  -2.368  -0.373
  604   1HG2  VAL  76          2HG2      VAL  76  -0.807  -3.729  -0.675
  605   2HG2  VAL  76          1HG2      VAL  76  -0.247  -2.928   0.794
  606   3HG2  VAL  76          3HG2      VAL  76  -0.499  -1.993  -0.679
  607    H    LEU  77           H        LEU  77   3.070  -2.028  -3.609
  608    HA   LEU  77           HA       LEU  77   5.154  -4.097  -3.396
  609   1HB   LEU  77           HB2      LEU  77   4.716  -1.957  -5.479
  610   2HB   LEU  77           HB3      LEU  77   6.162  -2.944  -5.395
  611    HG   LEU  77           HG       LEU  77   3.347  -3.944  -5.885
  612   1HD1  LEU  77          3HD1      LEU  77   4.279  -2.749  -7.792
  613   2HD1  LEU  77          2HD1      LEU  77   5.732  -3.745  -7.719
  614   3HD1  LEU  77          1HD1      LEU  77   4.179  -4.479  -8.121
  615   1HD2  LEU  77          3HD2      LEU  77   5.052  -5.418  -4.597
  616   2HD2  LEU  77          2HD2      LEU  77   4.152  -6.106  -5.951
  617   3HD2  LEU  77          1HD2      LEU  77   5.823  -5.588  -6.175
  618    H    VAL  78           H        VAL  78   6.242  -3.514  -1.583
  619    HA   VAL  78           HA       VAL  78   6.903  -0.703  -1.183
  620    HB   VAL  78           HB       VAL  78   8.077  -2.441   0.787
  621   1HG1  VAL  78          1HG1      VAL  78   5.880  -0.363   0.911
  622   2HG1  VAL  78          3HG1      VAL  78   6.715  -1.052   2.307
  623   3HG1  VAL  78          2HG1      VAL  78   7.609  -0.079   1.141
  624   1HG2  VAL  78          1HG2      VAL  78   6.311  -4.004   0.129
  625   2HG2  VAL  78          3HG2      VAL  78   6.046  -3.371   1.752
  626   3HG2  VAL  78          2HG2      VAL  78   5.104  -2.749   0.398
  627    H    LYS  79           H        LYS  79   8.563  -0.013  -2.336
  628    HA   LYS  79           HA       LYS  79  10.976  -1.692  -2.511
  629   1HB   LYS  79           HB2      LYS  79   9.697   0.239  -4.386
  630   2HB   LYS  79           HB3      LYS  79  11.449   0.097  -4.417
  631   1HG   LYS  79           HG2      LYS  79  11.191  -2.343  -4.772
  632   2HG   LYS  79           HG3      LYS  79   9.438  -2.102  -4.887
  633   1HD   LYS  79           HD2      LYS  79  11.482  -0.758  -6.659
  634   2HD   LYS  79           HD3      LYS  79  10.580  -2.211  -7.094
  635   1HE   LYS  79           HE2      LYS  79   9.393   0.485  -6.445
  636   2HE   LYS  79           HE3      LYS  79   9.557  -0.213  -8.056
  637   1HZ   LYS  79           HZ1      LYS  79   8.083  -2.010  -7.384
  638   2HZ   LYS  79           HZ3      LYS  79   7.918  -1.327  -5.844
  639   3HZ   LYS  79           HZ2      LYS  79   7.325  -0.510  -7.202
  640    HA   PRO  80           HA       PRO  80  12.259   1.548   0.493
  641   1HB   PRO  80           HB2      PRO  80  14.705   0.219   0.852
  642   2HB   PRO  80           HB3      PRO  80  13.285   0.114   1.894
  643   1HG   PRO  80           HG2      PRO  80  14.221  -1.742  -0.231
  644   2HG   PRO  80           HG3      PRO  80  13.359  -2.098   1.277
  645   1HD   PRO  80           HD2      PRO  80  12.128  -2.155  -1.114
  646   2HD   PRO  80           HD3      PRO  80  11.294  -1.611   0.357
  647    H    ARG  81           H        ARG  81  12.639   3.266  -0.800
  648    HA   ARG  81           HA       ARG  81  14.460   3.349  -2.945
  649   1HB   ARG  81           HB2      ARG  81  12.771   5.235  -1.503
  650   2HB   ARG  81           HB3      ARG  81  14.279   5.959  -2.039
  651   1HG   ARG  81           HG2      ARG  81  13.814   5.438  -4.309
  652   2HG   ARG  81           HG3      ARG  81  12.433   4.436  -3.857
  653   1HD   ARG  81           HD2      ARG  81  11.219   6.347  -3.080
  654   2HD   ARG  81           HD3      ARG  81  12.628   7.389  -3.294
  655    HE   ARG  81           HE       ARG  81  11.815   6.118  -5.725
  656   1HH1  ARG  81          1HH1      ARG  81  11.191   8.803  -3.594
  657   2HH1  ARG  81          2HH1      ARG  81  10.509   9.797  -4.837
  658   1HH2  ARG  81          1HH2      ARG  81  10.919   7.421  -7.367
  659   2HH2  ARG  81          2HH2      ARG  81  10.354   9.012  -6.982
  660    H    LYS  82           H        LYS  82  14.772   4.050   0.476
  661    HA   LYS  82           HA       LYS  82  17.659   4.493   0.085
  662   1HB   LYS  82           HB2      LYS  82  16.035   5.553   2.395
  663   2HB   LYS  82           HB3      LYS  82  17.667   6.005   1.929
  664   1HG   LYS  82           HG2      LYS  82  16.782   7.019  -0.126
  665   2HG   LYS  82           HG3      LYS  82  15.147   6.603   0.394
  666   1HD   LYS  82           HD2      LYS  82  15.456   7.982   2.407
  667   2HD   LYS  82           HD3      LYS  82  17.065   8.432   1.835
  668   1HE   LYS  82           HE2      LYS  82  16.063   9.434  -0.167
  669   2HE   LYS  82           HE3      LYS  82  14.459   9.001   0.424
  670   1HZ   LYS  82           HZ2      LYS  82  16.358  10.840   1.778
  671   2HZ   LYS  82           HZ1      LYS  82  14.987  11.307   0.905
  672   3HZ   LYS  82           HZ3      LYS  82  14.817  10.427   2.340
  673    H    ARG  83           H        ARG  83  18.800   4.128   2.352
  674    HA   ARG  83           HA       ARG  83  17.821   1.559   3.410
  675   1HB   ARG  83           HB2      ARG  83  20.341   1.195   3.904
  676   2HB   ARG  83           HB3      ARG  83  19.747   0.952   2.267
  677   1HG   ARG  83           HG2      ARG  83  20.533   3.177   1.648
  678   2HG   ARG  83           HG3      ARG  83  21.127   3.425   3.291
  679   1HD   ARG  83           HD2      ARG  83  22.054   1.285   1.381
  680   2HD   ARG  83           HD3      ARG  83  22.925   2.768   1.769
  681    HE   ARG  83           HE       ARG  83  22.400   1.402   4.154
  682   1HH1  ARG  83          1HH1      ARG  83  24.307   1.046   1.259
  683   2HH1  ARG  83          2HH1      ARG  83  25.546   0.117   2.034
  684   1HH2  ARG  83          1HH2      ARG  83  24.027   0.181   5.183
  685   2HH2  ARG  83          2HH2      ARG  83  25.386  -0.376   4.264
  686    H    GLY  84           H        GLY  84  17.835   1.241   5.590
  687   1HA   GLY  84           HA3      GLY  84  18.244   3.648   7.212
  688   2HA   GLY  84           HA2      GLY  84  19.130   2.198   7.661
  689    H    HIS  85           H        HIS  85  16.354   3.949   8.185
  690    HA   HIS  85           HA       HIS  85  14.998   1.598   9.335
  691   1HB   HIS  85           HB2      HIS  85  14.973   4.452  10.338
  692   2HB   HIS  85           HB3      HIS  85  14.098   3.104  11.058
  693    HD1  HIS  85           HD1      HIS  85  17.383   4.756  11.003
  694    HD2  HIS  85           HD2      HIS  85  15.790   1.150  12.317
  695    HE1  HIS  85           HE1      HIS  85  19.108   3.784  12.554
  696    HE2  HIS  85           HE2      HIS  85  18.081   1.648  13.410
  697    H    HIS  86           H        HIS  86  13.635   1.169   7.635
  698    HA   HIS  86           HA       HIS  86  11.715   3.288   6.921
  699   1HB   HIS  86           HB2      HIS  86  12.551   0.857   5.323
  700   2HB   HIS  86           HB3      HIS  86  11.333   2.028   4.827
  701    HD1  HIS  86           HD1      HIS  86  14.095   3.744   6.408
  702    HD2  HIS  86           HD2      HIS  86  13.257   2.293   2.608
  703    HE1  HIS  86           HE1      HIS  86  15.703   4.917   4.873
  704    HE2  HIS  86           HE2      HIS  86  15.098   4.108   2.566
  705    H    THR  87           H        THR  87   9.498   2.511   6.415
  706    HA   THR  87           HA       THR  87   8.691  -0.040   7.482
  707    HB   THR  87           HB       THR  87   7.777   2.464   8.906
  708    HG1  THR  87           HG1      THR  87   9.639   2.068   9.896
  709   1HG2  THR  87          3HG2      THR  87   6.051   0.715   8.709
  710   2HG2  THR  87          2HG2      THR  87   7.161  -0.440   9.450
  711   3HG2  THR  87          1HG2      THR  87   6.580   0.945  10.376
  712    H    LEU  88           H        LEU  88   6.542  -0.589   6.999
  713    HA   LEU  88           HA       LEU  88   5.206   1.236   5.113
  714   1HB   LEU  88           HB2      LEU  88   5.961  -0.677   3.921
  715   2HB   LEU  88           HB3      LEU  88   5.385  -1.765   5.165
  716    HG   LEU  88           HG       LEU  88   3.035  -0.972   4.567
  717   1HD1  LEU  88          1HD1      LEU  88   3.676   1.039   3.356
  718   2HD1  LEU  88          3HD1      LEU  88   4.499   0.056   2.146
  719   3HD1  LEU  88          2HD1      LEU  88   2.750  -0.054   2.328
  720   1HD2  LEU  88          1HD2      LEU  88   4.734  -2.545   2.654
  721   2HD2  LEU  88          3HD2      LEU  88   3.708  -3.158   3.949
  722   3HD2  LEU  88          2HD2      LEU  88   2.981  -2.427   2.518
  723    H    GLU  89           H        GLU  89   3.863   2.232   6.586
  724    HA   GLU  89           HA       GLU  89   2.310   0.735   8.460
  725   1HB   GLU  89           HB2      GLU  89   2.277   3.623   7.609
  726   2HB   GLU  89           HB3      GLU  89   1.204   2.965   8.837
  727   1HG   GLU  89           HG2      GLU  89   3.078   2.331  10.189
  728   2HG   GLU  89           HG3      GLU  89   4.203   2.892   8.956
  729    H    LEU  90           H        LEU  90   1.020  -0.709   7.315
  730    HA   LEU  90           HA       LEU  90  -0.983   0.495   5.532
  731   1HB   LEU  90           HB2      LEU  90  -0.093  -2.360   5.893
  732   2HB   LEU  90           HB3      LEU  90  -1.541  -1.934   5.009
  733    HG   LEU  90           HG       LEU  90   1.264  -1.072   4.300
  734   1HD1  LEU  90          2HD1      LEU  90  -0.587  -3.085   3.034
  735   2HD1  LEU  90          1HD1      LEU  90   0.952  -2.549   2.359
  736   3HD1  LEU  90          3HD1      LEU  90   0.917  -3.431   3.886
  737   1HD2  LEU  90          3HD2      LEU  90  -1.366  -0.598   2.902
  738   2HD2  LEU  90          2HD2      LEU  90  -0.342   0.622   3.659
  739   3HD2  LEU  90          1HD2      LEU  90   0.223  -0.239   2.228
  740    H    VAL  91           H        VAL  91  -2.963   0.826   6.266
  741    HA   VAL  91           HA       VAL  91  -3.849  -0.698   8.625
  742    HB   VAL  91           HB       VAL  91  -3.225   1.562   9.294
  743   1HG1  VAL  91          1HG1      VAL  91  -5.221   2.444   7.212
  744   2HG1  VAL  91          3HG1      VAL  91  -4.509   3.503   8.432
  745   3HG1  VAL  91          2HG1      VAL  91  -3.479   2.742   7.219
  746   1HG2  VAL  91          1HG2      VAL  91  -6.206   1.115   9.291
  747   2HG2  VAL  91          3HG2      VAL  91  -5.052   0.526  10.488
  748   3HG2  VAL  91          2HG2      VAL  91  -5.350   2.256  10.327
  749    H    TYR  92           H        TYR  92  -6.115  -0.953   8.869
  750    HA   TYR  92           HA       TYR  92  -7.565  -1.040   6.327
  751   1HB   TYR  92           HB2      TYR  92  -7.299  -3.072   7.861
  752   2HB   TYR  92           HB3      TYR  92  -8.411  -2.261   8.955
  753    HD1  TYR  92           HD1      TYR  92 -10.386  -3.461   8.922
  754    HD2  TYR  92           HD2      TYR  92  -8.454  -2.583   5.235
  755    HE1  TYR  92           HE1      TYR  92 -12.289  -4.429   7.702
  756    HE2  TYR  92           HE2      TYR  92 -10.352  -3.547   4.004
  757    HH   TYR  92           HH       TYR  92 -12.172  -5.153   4.390
  758    H    THR  93           H        THR  93  -8.023   1.225   6.270
  759    HA   THR  93           HA       THR  93  -9.982   2.142   8.281
  760    HB   THR  93           HB       THR  93  -7.954   3.435   8.427
  761    HG1  THR  93           HG1      THR  93  -9.916   4.936   7.001
  762   1HG2  THR  93          3HG2      THR  93  -8.232   3.471   5.466
  763   2HG2  THR  93          2HG2      THR  93  -7.526   4.889   6.247
  764   3HG2  THR  93          1HG2      THR  93  -6.787   3.300   6.464
  765    H    ARG  94           H        ARG  94 -11.615   3.641   7.555
  766    HA   ARG  94           HA       ARG  94 -12.481   3.098   4.812
  767   1HB   ARG  94           HB2      ARG  94 -13.909   4.110   7.262
  768   2HB   ARG  94           HB3      ARG  94 -14.628   4.230   5.662
  769   1HG   ARG  94           HG2      ARG  94 -14.492   1.804   5.416
  770   2HG   ARG  94           HG3      ARG  94 -13.773   1.687   7.021
  771   1HD   ARG  94           HD2      ARG  94 -16.138   1.175   7.126
  772   2HD   ARG  94           HD3      ARG  94 -15.797   2.673   7.992
  773    HE   ARG  94           HE       ARG  94 -16.490   3.476   5.476
  774   1HH1  ARG  94          1HH1      ARG  94 -17.997   1.540   7.951
  775   2HH1  ARG  94          2HH1      ARG  94 -19.609   1.974   7.490
  776   1HH2  ARG  94          1HH2      ARG  94 -18.609   4.053   4.862
  777   2HH2  ARG  94          2HH2      ARG  94 -19.957   3.402   5.734
  778    HA   PRO  95           HA       PRO  95 -10.499   7.124   3.869
  779   1HB   PRO  95           HB2      PRO  95 -11.997   6.385   1.383
  780   2HB   PRO  95           HB3      PRO  95 -10.375   7.066   1.555
  781   1HG   PRO  95           HG2      PRO  95 -10.717   4.465   1.057
  782   2HG   PRO  95           HG3      PRO  95  -9.443   5.027   2.151
  783   1HD   PRO  95           HD2      PRO  95 -11.997   3.665   2.770
  784   2HD   PRO  95           HD3      PRO  95 -10.463   3.654   3.653
  785    H    PHE  96           H        PHE  96 -13.827   6.161   3.128
  786    HA   PHE  96           HA       PHE  96 -14.887   8.691   2.645
  787   1HB   PHE  96           HB2      PHE  96 -16.760   6.905   3.980
  788   2HB   PHE  96           HB3      PHE  96 -16.791   7.555   2.347
  789    HD1  PHE  96           HD1      PHE  96 -16.388   4.647   4.304
  790    HD2  PHE  96           HD2      PHE  96 -15.238   6.433   0.617
  791    HE1  PHE  96           HE1      PHE  96 -15.833   2.425   3.406
  792    HE2  PHE  96           HE2      PHE  96 -14.681   4.214  -0.288
  793    HZ   PHE  96           HZ       PHE  96 -14.980   2.206   1.106
  794    H    GLU  97           H        GLU  97 -14.553   6.880   5.675
  795    HA   GLU  97           HA       GLU  97 -15.644   9.153   7.160
  796   1HB   GLU  97           HB2      GLU  97 -14.838   6.419   8.171
  797   2HB   GLU  97           HB3      GLU  97 -15.685   7.657   9.087
  798   1HG   GLU  97           HG2      GLU  97 -17.557   7.495   7.462
  799   2HG   GLU  97           HG3      GLU  97 -16.718   6.143   6.703
  800    H    GLY  98           H        GLY  98 -13.027   6.884   7.945
  801   1HA   GLY  98           HA3      GLY  98 -11.556   8.921   9.332
  802   2HA   GLY  98           HA2      GLY  98 -10.816   8.496   7.794
  803    H    ILE  99           H        ILE  99  -9.193   8.042   9.689
  804    HA   ILE  99           HA       ILE  99  -9.188   5.140   9.954
  805    HB   ILE  99           HB       ILE  99  -6.928   6.953  10.722
  806   1HG1  ILE  99          2HG1      ILE  99  -7.299   5.793   7.963
  807   2HG1  ILE  99          3HG1      ILE  99  -7.855   7.416   8.367
  808   1HG2  ILE  99          2HG2      ILE  99  -7.284   4.065  10.030
  809   2HG2  ILE  99          1HG2      ILE  99  -5.716   4.842   9.788
  810   3HG2  ILE  99          3HG2      ILE  99  -6.439   4.796  11.396
  811   1HD1  ILE  99          2HD1      ILE  99  -5.559   8.031   8.962
  812   2HD1  ILE  99          1HD1      ILE  99  -5.018   6.411   8.523
  813   3HD1  ILE  99          3HD1      ILE  99  -5.685   7.482   7.290
  814    H    LYS 100           H        LYS 100  -8.906   4.064  11.892
  815    HA   LYS 100           HA       LYS 100  -9.039   5.627  14.363
  816   1HB   LYS 100           HB2      LYS 100 -10.963   3.438  13.583
  817   2HB   LYS 100           HB3      LYS 100 -10.851   4.125  15.187
  818   1HG   LYS 100           HG2      LYS 100 -11.586   6.256  14.415
  819   2HG   LYS 100           HG3      LYS 100 -11.459   5.749  12.730
  820   1HD   LYS 100           HD2      LYS 100 -13.271   4.303  14.627
  821   2HD   LYS 100           HD3      LYS 100 -13.791   5.801  13.852
  822   1HE   LYS 100           HE2      LYS 100 -13.449   4.837  11.664
  823   2HE   LYS 100           HE3      LYS 100 -12.789   3.367  12.381
  824   1HZ   LYS 100           HZ3      LYS 100 -15.572   4.351  12.712
  825   2HZ   LYS 100           HZ2      LYS 100 -15.089   3.069  11.719
  826   3HZ   LYS 100           HZ1      LYS 100 -14.938   2.940  13.399
  827    HA   PRO 101           HA       PRO 101  -6.317   2.615  16.058
  828   1HB   PRO 101           HB2      PRO 101  -7.288   2.250  18.575
  829   2HB   PRO 101           HB3      PRO 101  -6.422   3.705  18.073
  830   1HG   PRO 101           HG2      PRO 101  -9.368   3.247  18.331
  831   2HG   PRO 101           HG3      PRO 101  -8.409   4.659  18.811
  832   1HD   PRO 101           HD2      PRO 101  -9.866   4.600  16.535
  833   2HD   PRO 101           HD3      PRO 101  -8.341   5.501  16.671
  834    H    GLU 102           H        GLU 102  -9.743   1.916  16.633
  835    HA   GLU 102           HA       GLU 102  -9.477  -0.813  17.198
  836   1HB   GLU 102           HB2      GLU 102 -11.883  -0.954  16.521
  837   2HB   GLU 102           HB3      GLU 102 -11.528   0.277  17.727
  838   1HG   GLU 102           HG2      GLU 102 -11.508   1.973  15.981
  839   2HG   GLU 102           HG3      GLU 102 -11.885   0.737  14.784
  840    H    ASN 103           H        ASN 103  -9.482   0.946  14.213
  841    HA   ASN 103           HA       ASN 103 -10.132  -1.035  12.380
  842   1HB   ASN 103           HB2      ASN 103  -8.217   1.289  12.186
  843   2HB   ASN 103           HB3      ASN 103  -8.609   0.262  10.812
  844   1HD2  ASN 103          1HD2      ASN 103 -11.018   0.902  13.204
  845   2HD2  ASN 103          2HD2      ASN 103 -11.971   1.984  12.255
  846    H    GLU 104           H        GLU 104  -8.897  -2.501  11.152
  847    HA   GLU 104           HA       GLU 104  -7.000  -3.982  12.544
  848   1HB   GLU 104           HB2      GLU 104  -8.198  -3.984   9.883
  849   2HB   GLU 104           HB3      GLU 104  -6.563  -4.617   9.913
  850   1HG   GLU 104           HG2      GLU 104  -7.933  -6.475  10.240
  851   2HG   GLU 104           HG3      GLU 104  -7.333  -6.073  11.845
  852    H    ARG 105           H        ARG 105  -4.770  -4.483  11.708
  853    HA   ARG 105           HA       ARG 105  -3.403  -2.062  10.739
  854   1HB   ARG 105           HB2      ARG 105  -3.206  -2.192  13.193
  855   2HB   ARG 105           HB3      ARG 105  -2.524  -3.801  13.051
  856   1HG   ARG 105           HG2      ARG 105  -0.618  -2.578  13.325
  857   2HG   ARG 105           HG3      ARG 105  -0.748  -2.573  11.563
  858   1HD   ARG 105           HD2      ARG 105  -0.279  -0.338  12.335
  859   2HD   ARG 105           HD3      ARG 105  -1.916  -0.406  11.680
  860    HE   ARG 105           HE       ARG 105  -2.073  -0.892  14.417
  861   1HH1  ARG 105          1HH1      ARG 105  -1.201   1.706  12.262
  862   2HH1  ARG 105          2HH1      ARG 105  -1.671   2.953  13.367
  863   1HH2  ARG 105          1HH2      ARG 105  -2.696   0.748  15.879
  864   2HH2  ARG 105          2HH2      ARG 105  -2.521   2.409  15.422
  865    H    TYR 106           H        TYR 106  -1.214  -2.481   9.956
  866    HA   TYR 106           HA       TYR 106  -0.139  -5.041   9.557
  867   1HB   TYR 106           HB2      TYR 106  -2.068  -5.198   7.964
  868   2HB   TYR 106           HB3      TYR 106  -1.362  -3.864   7.049
  869    HD1  TYR 106           HD1      TYR 106  -0.974  -7.367   8.071
  870    HD2  TYR 106           HD2      TYR 106   0.533  -4.249   5.604
  871    HE1  TYR 106           HE1      TYR 106   0.360  -9.004   6.831
  872    HE2  TYR 106           HE2      TYR 106   1.878  -5.882   4.354
  873    HH   TYR 106           HH       TYR 106   1.414  -9.232   4.617
  874    H    THR 107           H        THR 107   1.226  -3.286  10.591
  875    HA   THR 107           HA       THR 107   2.494  -1.457   8.729
  876    HB   THR 107           HB       THR 107   3.260  -1.944  11.608
  877    HG1  THR 107           HG1      THR 107   1.381  -1.092  12.072
  878   1HG2  THR 107          3HG2      THR 107   4.862  -0.666  10.278
  879   2HG2  THR 107          2HG2      THR 107   3.584   0.443   9.788
  880   3HG2  THR 107          1HG2      THR 107   4.080   0.362  11.478
  881    H    LEU 108           H        LEU 108   3.624  -2.755   7.300
  882    HA   LEU 108           HA       LEU 108   5.356  -4.852   8.166
  883   1HB   LEU 108           HB2      LEU 108   4.369  -4.973   5.983
  884   2HB   LEU 108           HB3      LEU 108   5.056  -3.432   5.527
  885    HG   LEU 108           HG       LEU 108   7.287  -4.372   5.496
  886   1HD1  LEU 108          3HD1      LEU 108   5.989  -6.944   6.386
  887   2HD1  LEU 108          2HD1      LEU 108   7.677  -6.752   5.908
  888   3HD1  LEU 108          1HD1      LEU 108   7.069  -5.935   7.349
  889   1HD2  LEU 108          3HD2      LEU 108   5.899  -4.593   3.488
  890   2HD2  LEU 108          2HD2      LEU 108   7.057  -5.913   3.647
  891   3HD2  LEU 108          1HD2      LEU 108   5.360  -6.176   4.049
  892    H    HIS 109           H        HIS 109   6.852  -4.063   9.603
  893    HA   HIS 109           HA       HIS 109   8.451  -1.756   9.005
  894   1HB   HIS 109           HB2      HIS 109   8.391  -3.764  11.207
  895   2HB   HIS 109           HB3      HIS 109   9.792  -2.719  11.022
  896    HD1  HIS 109           HD1      HIS 109   9.610  -0.418  11.982
  897    HD2  HIS 109           HD2      HIS 109   5.923  -2.306  11.669
  898    HE1  HIS 109           HE1      HIS 109   7.978   1.100  13.145
  899    HE2  HIS 109           HE2      HIS 109   5.767  -0.100  13.009
  900    H    LEU 110           H        LEU 110  10.528  -1.664   8.343
  901    HA   LEU 110           HA       LEU 110  11.939  -4.114   7.646
  902   1HB   LEU 110           HB2      LEU 110  11.304  -1.932   5.660
  903   2HB   LEU 110           HB3      LEU 110  12.396  -3.268   5.359
  904    HG   LEU 110           HG       LEU 110   9.433  -3.529   5.910
  905   1HD1  LEU 110          2HD1      LEU 110  10.979  -3.755   3.333
  906   2HD1  LEU 110          1HD1      LEU 110   9.267  -4.125   3.540
  907   3HD1  LEU 110          3HD1      LEU 110   9.844  -2.475   3.763
  908   1HD2  LEU 110          3HD2      LEU 110  10.855  -5.454   6.622
  909   2HD2  LEU 110          2HD2      LEU 110   9.674  -5.840   5.371
  910   3HD2  LEU 110          1HD2      LEU 110  11.371  -5.621   4.946
  911    H    ASN 111           H        ASN 111  13.724  -3.757   8.874
  912    HA   ASN 111           HA       ASN 111  14.923  -1.142   9.061
  913   1HB   ASN 111           HB2      ASN 111  14.938  -2.758  10.967
  914   2HB   ASN 111           HB3      ASN 111  16.000  -3.803  10.031
  915   1HD2  ASN 111          1HD2      ASN 111  18.134  -3.201   9.700
  916   2HD2  ASN 111          2HD2      ASN 111  18.894  -1.953  10.621
  917    H    VAL 112           H        VAL 112  15.034  -1.121   6.654
  918    HA   VAL 112           HA       VAL 112  16.541  -2.673   5.010
  919    HB   VAL 112           HB       VAL 112  16.854   0.284   4.718
  920   1HG1  VAL 112          1HG1      VAL 112  17.733  -1.268   3.029
  921   2HG1  VAL 112          3HG1      VAL 112  16.104  -1.900   2.786
  922   3HG1  VAL 112          2HG1      VAL 112  16.468  -0.223   2.380
  923   1HG2  VAL 112          3HG2      VAL 112  14.251  -1.212   4.534
  924   2HG2  VAL 112          2HG2      VAL 112  14.614   0.234   5.477
  925   3HG2  VAL 112          1HG2      VAL 112  14.536   0.325   3.718
  926    H    LYS 113           H        LYS 113  18.573  -3.366   5.100
  927    HA   LYS 113           HA       LYS 113  20.514  -2.153   6.813
  928   1HB   LYS 113           HB2      LYS 113  20.780  -4.386   4.795
  929   2HB   LYS 113           HB3      LYS 113  21.998  -3.937   5.975
  930   1HG   LYS 113           HG2      LYS 113  19.242  -4.969   6.603
  931   2HG   LYS 113           HG3      LYS 113  20.740  -5.897   6.686
  932   1HD   LYS 113           HD2      LYS 113  20.136  -3.432   8.320
  933   2HD   LYS 113           HD3      LYS 113  19.986  -5.094   8.898
  934   1HE   LYS 113           HE2      LYS 113  22.381  -5.439   8.480
  935   2HE   LYS 113           HE3      LYS 113  22.520  -3.765   7.946
  936   1HZ   LYS 113           HZ2      LYS 113  21.837  -3.045  10.151
  937   2HZ   LYS 113           HZ1      LYS 113  21.713  -4.652  10.662
  938   3HZ   LYS 113           HZ3      LYS 113  23.222  -4.012  10.238

  No H/Q in entry =         938
  Start of MODEL   13
    1    H1   GLY  -2           HT1      GLY  -2 -17.933 -23.974  17.693
    2    H2   GLY  -2           HT3      GLY  -2 -18.894 -24.876  16.632
    3    H3   GLY  -2           HT2      GLY  -2 -17.545 -25.586  17.363
    4   1HA   GLY  -2           HA2      GLY  -2 -17.487 -23.364  15.395
    5   2HA   GLY  -2           HA3      GLY  -2 -17.079 -25.040  15.057
    6    H    SER  -1           H        SER  -1 -15.005 -24.306  14.353
    7    HA   SER  -1           HA       SER  -1 -13.235 -23.237  16.417
    8   1HB   SER  -1           HB2      SER  -1 -12.683 -25.809  14.918
    9   2HB   SER  -1           HB3      SER  -1 -11.545 -24.987  15.986
   10    HG   SER  -1           HG       SER  -1 -13.045 -25.312  17.690
   11    H    HIS   0           H        HIS   0 -14.349 -23.172  13.325
   12    HA   HIS   0           HA       HIS   0 -12.054 -21.593  12.444
   13   1HB   HIS   0           HB2      HIS   0 -11.705 -23.850  11.519
   14   2HB   HIS   0           HB3      HIS   0 -13.296 -23.785  10.768
   15    HD1  HIS   0           HD1      HIS   0  -9.806 -22.546  10.391
   16    HD2  HIS   0           HD2      HIS   0 -13.474 -22.151   8.480
   17    HE1  HIS   0           HE1      HIS   0  -9.296 -21.481   8.171
   18    HE2  HIS   0           HE2      HIS   0 -11.519 -21.336   6.995
   19    H    MET   1           H        MET   1 -12.960 -19.654  12.192
   20    HA   MET   1           HA       MET   1 -15.554 -19.489  10.808
   21   1HB   MET   1           HB2      MET   1 -14.278 -17.585  12.777
   22   2HB   MET   1           HB3      MET   1 -15.754 -17.238  11.886
   23   1HG   MET   1           HG2      MET   1 -16.381 -17.956  14.052
   24   2HG   MET   1           HG3      MET   1 -16.772 -19.259  12.930
   25   1HE   MET   1           HE1      MET   1 -17.030 -20.939  14.973
   26   2HE   MET   1           HE3      MET   1 -15.788 -21.182  16.202
   27   3HE   MET   1           HE2      MET   1 -16.637 -19.639  16.097
   28    H    ILE   2           H        ILE   2 -15.859 -17.845   9.243
   29    HA   ILE   2           HA       ILE   2 -13.466 -17.276   7.720
   30    HB   ILE   2           HB       ILE   2 -15.017 -16.332   6.042
   31   1HG1  ILE   2          2HG1      ILE   2 -17.190 -17.194   7.967
   32   2HG1  ILE   2          3HG1      ILE   2 -16.723 -15.524   7.668
   33   1HG2  ILE   2          2HG2      ILE   2 -14.433 -18.695   5.986
   34   2HG2  ILE   2          1HG2      ILE   2 -15.779 -19.064   7.065
   35   3HG2  ILE   2          3HG2      ILE   2 -16.093 -18.447   5.442
   36   1HD1  ILE   2          3HD1      ILE   2 -17.401 -15.753   5.335
   37   2HD1  ILE   2          2HD1      ILE   2 -17.874 -17.424   5.640
   38   3HD1  ILE   2          1HD1      ILE   2 -18.728 -16.105   6.441
   39    H    ALA   3           H        ALA   3 -14.899 -15.797  10.263
   40    HA   ALA   3           HA       ALA   3 -14.655 -13.060   9.334
   41   1HB   ALA   3           HB1      ALA   3 -15.308 -14.126  12.080
   42   2HB   ALA   3           HB2      ALA   3 -16.481 -13.667  10.846
   43   3HB   ALA   3           HB3      ALA   3 -15.432 -12.445  11.562
   44    HA   PRO   4           HA       PRO   4 -10.499 -12.363  10.645
   45   1HB   PRO   4           HB2      PRO   4 -10.638  -9.799  11.565
   46   2HB   PRO   4           HB3      PRO   4 -10.642 -10.219   9.849
   47   1HG   PRO   4           HG2      PRO   4 -12.944  -9.558  11.646
   48   2HG   PRO   4           HG3      PRO   4 -12.637  -9.030   9.981
   49   1HD   PRO   4           HD2      PRO   4 -14.367 -11.017  10.558
   50   2HD   PRO   4           HD3      PRO   4 -13.385 -11.021   9.079
   51    H    LEU   5           H        LEU   5 -13.013 -11.367  12.938
   52    HA   LEU   5           HA       LEU   5 -13.174 -11.504  15.201
   53   1HB   LEU   5           HB2      LEU   5 -12.614 -13.910  14.596
   54   2HB   LEU   5           HB3      LEU   5 -10.964 -13.548  15.061
   55    HG   LEU   5           HG       LEU   5 -11.787 -12.971  17.344
   56   1HD1  LEU   5          2HD1      LEU   5 -14.084 -12.406  16.768
   57   2HD1  LEU   5          1HD1      LEU   5 -14.391 -14.082  16.309
   58   3HD1  LEU   5          3HD1      LEU   5 -14.035 -13.678  17.990
   59   1HD2  LEU   5          2HD2      LEU   5 -12.439 -15.745  16.365
   60   2HD2  LEU   5          1HD2      LEU   5 -10.853 -15.167  16.870
   61   3HD2  LEU   5          3HD2      LEU   5 -12.164 -15.282  18.044
   62    H    SER   6           H        SER   6 -11.254  -9.664  13.947
   63    HA   SER   6           HA       SER   6  -9.708  -8.117  14.566
   64   1HB   SER   6           HB2      SER   6 -10.299  -9.151  17.350
   65   2HB   SER   6           HB3      SER   6  -9.429  -7.663  16.979
   66    HG   SER   6           HG       SER   6 -12.090  -8.111  17.059
   67    H    VAL   7           H        VAL   7  -9.051 -11.109  14.230
   68    HA   VAL   7           HA       VAL   7  -6.301 -10.914  15.273
   69    HB   VAL   7           HB       VAL   7  -7.977 -13.418  15.027
   70   1HG1  VAL   7          2HG1      VAL   7  -5.108 -13.073  15.893
   71   2HG1  VAL   7          1HG1      VAL   7  -6.037 -14.567  16.019
   72   3HG1  VAL   7          3HG1      VAL   7  -5.673 -13.885  14.433
   73   1HG2  VAL   7          3HG2      VAL   7  -8.554 -12.048  16.964
   74   2HG2  VAL   7          2HG2      VAL   7  -7.755 -13.541  17.456
   75   3HG2  VAL   7          1HG2      VAL   7  -6.861 -12.021  17.456
   76    H    LYS   8           H        LYS   8  -4.850 -10.800  13.703
   77    HA   LYS   8           HA       LYS   8  -4.731 -12.549  11.509
   78   1HB   LYS   8           HB2      LYS   8  -6.621 -11.167  10.699
   79   2HB   LYS   8           HB3      LYS   8  -5.609  -9.736  10.823
   80   1HG   LYS   8           HG2      LYS   8  -5.700 -10.445   8.536
   81   2HG   LYS   8           HG3      LYS   8  -4.073 -10.721   9.161
   82   1HD   LYS   8           HD2      LYS   8  -4.604 -13.085   9.507
   83   2HD   LYS   8           HD3      LYS   8  -6.233 -12.810   8.886
   84   1HE   LYS   8           HE2      LYS   8  -4.790 -13.775   7.173
   85   2HE   LYS   8           HE3      LYS   8  -5.309 -12.150   6.728
   86   1HZ   LYS   8           HZ2      LYS   8  -3.169 -11.304   7.471
   87   2HZ   LYS   8           HZ1      LYS   8  -2.672 -12.864   7.894
   88   3HZ   LYS   8           HZ3      LYS   8  -2.964 -12.479   6.271
   89    H    ASP   9           H        ASP   9  -2.698 -12.567  10.739
   90    HA   ASP   9           HA       ASP   9  -0.661 -11.177  12.028
   91   1HB   ASP   9           HB2      ASP   9  -0.336 -13.282  10.743
   92   2HB   ASP   9           HB3      ASP   9  -0.548 -12.372   9.251
   93    H    ASN  10           H        ASN  10  -0.118  -9.101  11.939
   94    HA   ASN  10           HA       ASN  10  -0.629  -7.636   9.452
   95   1HB   ASN  10           HB2      ASN  10  -0.837  -5.638  11.131
   96   2HB   ASN  10           HB3      ASN  10  -2.211  -6.680  10.814
   97   1HD2  ASN  10          1HD2      ASN  10  -1.512  -4.988  13.102
   98   2HD2  ASN  10          2HD2      ASN  10  -1.543  -6.035  14.470
   99    H    ASP  11           H        ASP  11   0.760  -6.187  12.246
  100    HA   ASP  11           HA       ASP  11   2.889  -5.020  10.974
  101   1HB   ASP  11           HB2      ASP  11   3.867  -4.953  13.381
  102   2HB   ASP  11           HB3      ASP  11   2.374  -4.090  13.031
  103    H    LYS  12           H        LYS  12   4.183  -6.230   9.742
  104    HA   LYS  12           HA       LYS  12   5.450  -8.605  10.854
  105   1HB   LYS  12           HB2      LYS  12   4.613  -8.937   8.655
  106   2HB   LYS  12           HB3      LYS  12   5.314  -7.431   8.081
  107   1HG   LYS  12           HG2      LYS  12   6.580  -9.284   7.230
  108   2HG   LYS  12           HG3      LYS  12   7.553  -8.384   8.395
  109   1HD   LYS  12           HD2      LYS  12   7.055 -10.040  10.114
  110   2HD   LYS  12           HD3      LYS  12   6.045 -10.932   8.974
  111   1HE   LYS  12           HE2      LYS  12   7.997 -11.319   7.551
  112   2HE   LYS  12           HE3      LYS  12   9.005 -10.425   8.688
  113   1HZ   LYS  12           HZ3      LYS  12   7.533 -12.932   9.294
  114   2HZ   LYS  12           HZ2      LYS  12   9.195 -12.815   9.006
  115   3HZ   LYS  12           HZ1      LYS  12   8.520 -12.081  10.373
  116    H    TRP  13           H        TRP  13   6.902  -7.759  12.310
  117    HA   TRP  13           HA       TRP  13   8.718  -5.660  11.670
  118   1HB   TRP  13           HB2      TRP  13   9.062  -7.588  13.944
  119   2HB   TRP  13           HB3      TRP  13   9.446  -5.875  13.875
  120    HD1  TRP  13           HD1      TRP  13   6.442  -8.231  14.274
  121    HE1  TRP  13           HE1      TRP  13   4.488  -6.914  15.304
  122    HE3  TRP  13           HE3      TRP  13   8.512  -3.554  14.257
  123    HZ2  TRP  13           HZ2      TRP  13   3.885  -4.242  16.005
  124    HZ3  TRP  13           HZ3      TRP  13   7.185  -1.676  15.133
  125    HH2  TRP  13           HH2      TRP  13   4.925  -2.015  15.993
  126    H    VAL  14           H        VAL  14  10.222  -6.016  10.106
  127    HA   VAL  14           HA       VAL  14  12.174  -8.116  10.583
  128    HB   VAL  14           HB       VAL  14  10.316  -9.216   9.298
  129   1HG1  VAL  14          1HG1      VAL  14   9.697  -7.352   7.871
  130   2HG1  VAL  14          3HG1      VAL  14  11.273  -7.421   7.081
  131   3HG1  VAL  14          2HG1      VAL  14  10.138  -8.760   6.904
  132   1HG2  VAL  14          2HG2      VAL  14  12.771  -9.909   9.306
  133   2HG2  VAL  14          1HG2      VAL  14  11.738 -10.550   8.028
  134   3HG2  VAL  14          3HG2      VAL  14  12.834  -9.212   7.685
  135    H    ASP  15           H        ASP  15  13.802  -8.151   8.762
  136    HA   ASP  15           HA       ASP  15  14.608  -5.400   8.225
  137   1HB   ASP  15           HB2      ASP  15  15.975  -8.048   8.379
  138   2HB   ASP  15           HB3      ASP  15  16.733  -6.766   7.434
  139    H    THR  16           H        THR  16  16.150  -5.533   6.016
  140    HA   THR  16           HA       THR  16  15.092  -6.989   3.842
  141    HB   THR  16           HB       THR  16  13.178  -5.370   4.403
  142    HG1  THR  16           HG1      THR  16  13.324  -6.488   2.405
  143   1HG2  THR  16          3HG2      THR  16  14.580  -3.372   4.715
  144   2HG2  THR  16          2HG2      THR  16  15.032  -3.439   3.011
  145   3HG2  THR  16          1HG2      THR  16  13.356  -3.133   3.467
  146    H    HIS  17           H        HIS  17  15.536  -5.595   1.688
  147    HA   HIS  17           HA       HIS  17  18.260  -4.505   1.956
  148   1HB   HIS  17           HB2      HIS  17  17.036  -6.394   0.019
  149   2HB   HIS  17           HB3      HIS  17  18.184  -5.231  -0.635
  150    HD1  HIS  17           HD1      HIS  17  20.630  -5.697  -0.254
  151    HD2  HIS  17           HD2      HIS  17  18.155  -8.167   1.991
  152    HE1  HIS  17           HE1      HIS  17  22.147  -7.427   0.759
  153    HE2  HIS  17           HE2      HIS  17  20.617  -8.958   2.050
  154    H    VAL  18           H        VAL  18  18.454  -3.489  -0.685
  155    HA   VAL  18           HA       VAL  18  16.768  -1.132  -0.368
  156    HB   VAL  18           HB       VAL  18  18.999  -1.573  -2.352
  157   1HG1  VAL  18          3HG1      VAL  18  17.542   0.919  -1.465
  158   2HG1  VAL  18          2HG1      VAL  18  18.976   0.899  -2.492
  159   3HG1  VAL  18          1HG1      VAL  18  17.476   0.165  -3.058
  160   1HG2  VAL  18          2HG2      VAL  18  19.044  -0.210   0.340
  161   2HG2  VAL  18          1HG2      VAL  18  19.840  -1.729  -0.075
  162   3HG2  VAL  18          3HG2      VAL  18  20.368  -0.223  -0.826
  163    H    GLY  19           H        GLY  19  15.138  -0.572  -1.624
  164   1HA   GLY  19           HA3      GLY  19  14.767  -1.103  -4.325
  165   2HA   GLY  19           HA2      GLY  19  13.490  -0.694  -3.196
  166    H    LYS  20           H        LYS  20  14.289  -3.252  -1.663
  167    HA   LYS  20           HA       LYS  20  13.741  -5.439  -3.344
  168   1HB   LYS  20           HB2      LYS  20  14.513  -5.180  -0.755
  169   2HB   LYS  20           HB3      LYS  20  12.838  -5.644  -0.541
  170   1HG   LYS  20           HG2      LYS  20  13.965  -7.661  -0.513
  171   2HG   LYS  20           HG3      LYS  20  13.368  -7.550  -2.174
  172   1HD   LYS  20           HD2      LYS  20  15.469  -6.965  -3.010
  173   2HD   LYS  20           HD3      LYS  20  16.060  -6.515  -1.414
  174   1HE   LYS  20           HE2      LYS  20  15.419  -9.315  -2.337
  175   2HE   LYS  20           HE3      LYS  20  17.037  -8.632  -2.172
  176   1HZ   LYS  20           HZ1      LYS  20  16.646  -8.370   0.198
  177   2HZ   LYS  20           HZ3      LYS  20  15.094  -9.024   0.039
  178   3HZ   LYS  20           HZ2      LYS  20  16.452  -9.985  -0.263
  179    H    THR  21           H        THR  21  12.014  -4.753  -4.654
  180    HA   THR  21           HA       THR  21   9.571  -3.755  -3.873
  181    HB   THR  21           HB       THR  21   9.800  -5.771  -6.095
  182    HG1  THR  21           HG1      THR  21  11.545  -4.147  -6.115
  183   1HG2  THR  21          2HG2      THR  21   7.575  -4.866  -5.574
  184   2HG2  THR  21          1HG2      THR  21   8.193  -3.229  -5.786
  185   3HG2  THR  21          3HG2      THR  21   8.135  -4.335  -7.159
  186    H    THR  22           H        THR  22   8.588  -4.592  -2.118
  187    HA   THR  22           HA       THR  22   8.053  -7.471  -2.035
  188    HB   THR  22           HB       THR  22   7.780  -5.317   0.070
  189    HG1  THR  22           HG1      THR  22   9.825  -5.925   0.190
  190   1HG2  THR  22          3HG2      THR  22   5.949  -6.949   0.304
  191   2HG2  THR  22          2HG2      THR  22   7.132  -8.256   0.332
  192   3HG2  THR  22          1HG2      THR  22   7.105  -7.063   1.631
  193    H    GLU  23           H        GLU  23   6.372  -7.887  -3.317
  194    HA   GLU  23           HA       GLU  23   4.078  -6.199  -3.515
  195   1HB   GLU  23           HB2      GLU  23   4.995  -7.693  -5.332
  196   2HB   GLU  23           HB3      GLU  23   4.372  -9.061  -4.422
  197   1HG   GLU  23           HG2      GLU  23   2.113  -8.276  -4.669
  198   2HG   GLU  23           HG3      GLU  23   2.688  -6.781  -5.410
  199    H    ILE  24           H        ILE  24   2.211  -6.316  -2.464
  200    HA   ILE  24           HA       ILE  24   1.748  -8.617  -0.692
  201    HB   ILE  24           HB       ILE  24   1.097  -5.779   0.037
  202   1HG1  ILE  24          2HG1      ILE  24   3.444  -7.426   0.993
  203   2HG1  ILE  24          3HG1      ILE  24   3.555  -6.115  -0.176
  204   1HG2  ILE  24          2HG2      ILE  24  -0.248  -7.523   1.110
  205   2HG2  ILE  24          1HG2      ILE  24   1.226  -8.293   1.696
  206   3HG2  ILE  24          3HG2      ILE  24   0.781  -6.687   2.274
  207   1HD1  ILE  24          2HD1      ILE  24   2.551  -4.637   1.623
  208   2HD1  ILE  24          1HD1      ILE  24   2.895  -5.959   2.738
  209   3HD1  ILE  24          3HD1      ILE  24   4.210  -5.183   1.858
  210    H    HIS  25           H        HIS  25   0.178  -9.519  -1.997
  211    HA   HIS  25           HA       HIS  25  -2.051  -7.926  -2.926
  212   1HB   HIS  25           HB2      HIS  25  -1.196 -10.773  -3.249
  213   2HB   HIS  25           HB3      HIS  25  -2.866 -10.343  -3.570
  214    HD1  HIS  25           HD1      HIS  25  -3.012 -10.397  -6.052
  215    HD2  HIS  25           HD2      HIS  25   0.339  -8.337  -4.721
  216    HE1  HIS  25           HE1      HIS  25  -1.958  -9.423  -8.117
  217    HE2  HIS  25           HE2      HIS  25   0.019  -8.107  -7.276
  218    H    LEU  26           H        LEU  26  -2.715  -7.247  -0.790
  219    HA   LEU  26           HA       LEU  26  -3.591  -9.103   1.172
  220   1HB   LEU  26           HB2      LEU  26  -4.301  -6.204   0.774
  221   2HB   LEU  26           HB3      LEU  26  -4.687  -7.139   2.205
  222    HG   LEU  26           HG       LEU  26  -1.877  -6.587   1.245
  223   1HD1  LEU  26          3HD1      LEU  26  -3.466  -5.262   3.439
  224   2HD1  LEU  26          2HD1      LEU  26  -1.756  -4.997   3.099
  225   3HD1  LEU  26          1HD1      LEU  26  -2.974  -4.519   1.916
  226   1HD2  LEU  26          1HD2      LEU  26  -2.128  -8.635   2.570
  227   2HD2  LEU  26          3HD2      LEU  26  -1.219  -7.399   3.438
  228   3HD2  LEU  26          2HD2      LEU  26  -2.906  -7.704   3.851
  229    H    LYS  27           H        LYS  27  -5.800  -9.344   1.932
  230    HA   LYS  27           HA       LYS  27  -7.731  -9.345  -0.293
  231   1HB   LYS  27           HB2      LYS  27  -7.881 -11.127   2.131
  232   2HB   LYS  27           HB3      LYS  27  -8.738 -11.294   0.607
  233   1HG   LYS  27           HG2      LYS  27  -6.649 -11.833  -0.526
  234   2HG   LYS  27           HG3      LYS  27  -5.774 -11.651   0.996
  235   1HD   LYS  27           HD2      LYS  27  -7.087 -13.479   1.965
  236   2HD   LYS  27           HD3      LYS  27  -7.952 -13.665   0.437
  237   1HE   LYS  27           HE2      LYS  27  -4.986 -14.032   0.851
  238   2HE   LYS  27           HE3      LYS  27  -6.171 -15.324   0.665
  239   1HZ   LYS  27           HZ2      LYS  27  -5.525 -13.269  -1.379
  240   2HZ   LYS  27           HZ1      LYS  27  -5.013 -14.881  -1.405
  241   3HZ   LYS  27           HZ3      LYS  27  -6.657 -14.512  -1.556
  242    H    GLY  28           H        GLY  28 -10.039  -9.179   0.433
  243   1HA   GLY  28           HA3      GLY  28 -10.270  -6.883   2.168
  244   2HA   GLY  28           HA2      GLY  28 -11.000  -8.338   2.824
  245    H    ASN  29           H        ASN  29 -12.163  -5.752   1.933
  246    HA   ASN  29           HA       ASN  29 -13.600  -6.156  -0.475
  247   1HB   ASN  29           HB2      ASN  29 -14.731  -7.891   0.828
  248   2HB   ASN  29           HB3      ASN  29 -15.101  -6.720   2.091
  249   1HD2  ASN  29          1HD2      ASN  29 -17.301  -7.021   1.912
  250   2HD2  ASN  29          2HD2      ASN  29 -18.212  -6.442   0.564
  251    HA   PRO  30           HA       PRO  30 -13.491  -1.757   0.676
  252   1HB   PRO  30           HB2      PRO  30 -14.467  -0.933  -1.776
  253   2HB   PRO  30           HB3      PRO  30 -12.760  -1.180  -1.402
  254   1HG   PRO  30           HG2      PRO  30 -14.684  -3.003  -2.785
  255   2HG   PRO  30           HG3      PRO  30 -12.981  -2.678  -3.159
  256   1HD   PRO  30           HD2      PRO  30 -13.729  -4.915  -1.889
  257   2HD   PRO  30           HD3      PRO  30 -12.215  -4.083  -1.477
  258    H    THR  31           H        THR  31 -16.129  -3.666  -0.576
  259    HA   THR  31           HA       THR  31 -18.207  -1.814  -0.431
  260    HB   THR  31           HB       THR  31 -18.422  -4.771   0.147
  261    HG1  THR  31           HG1      THR  31 -18.050  -3.337  -2.251
  262   1HG2  THR  31          3HG2      THR  31 -20.375  -2.778  -0.993
  263   2HG2  THR  31          2HG2      THR  31 -20.664  -4.507  -0.811
  264   3HG2  THR  31          1HG2      THR  31 -20.442  -3.496   0.615
  265    H    THR  32           H        THR  32 -16.544  -3.595   2.053
  266    HA   THR  32           HA       THR  32 -18.440  -3.498   4.106
  267    HB   THR  32           HB       THR  32 -16.571  -3.736   5.668
  268    HG1  THR  32           HG1      THR  32 -15.191  -2.605   3.581
  269   1HG2  THR  32          1HG2      THR  32 -16.187  -5.342   3.138
  270   2HG2  THR  32          3HG2      THR  32 -15.574  -5.777   4.734
  271   3HG2  THR  32          2HG2      THR  32 -17.313  -5.717   4.443
  272    H    GLY  33           H        GLY  33 -16.131  -1.096   2.969
  273   1HA   GLY  33           HA3      GLY  33 -17.221   0.800   4.953
  274   2HA   GLY  33           HA2      GLY  33 -17.048   1.236   3.261
  275    H    TYR  34           H        TYR  34 -14.556  -0.769   4.429
  276    HA   TYR  34           HA       TYR  34 -12.862   1.540   5.067
  277   1HB   TYR  34           HB2      TYR  34 -12.496  -1.403   5.630
  278   2HB   TYR  34           HB3      TYR  34 -11.279  -0.179   5.977
  279    HD1  TYR  34           HD1      TYR  34 -14.722  -1.271   6.805
  280    HD2  TYR  34           HD2      TYR  34 -11.379   1.103   7.965
  281    HE1  TYR  34           HE1      TYR  34 -15.768  -0.877   8.994
  282    HE2  TYR  34           HE2      TYR  34 -12.422   1.501  10.154
  283    HH   TYR  34           HH       TYR  34 -15.089  -0.268  11.278
  284    H    MET  35           H        MET  35 -10.400   0.764   4.555
  285    HA   MET  35           HA       MET  35 -10.168  -0.250   1.857
  286   1HB   MET  35           HB2      MET  35 -10.374   2.003   1.286
  287   2HB   MET  35           HB3      MET  35  -9.578   2.549   2.758
  288   1HG   MET  35           HG2      MET  35  -7.465   1.599   1.880
  289   2HG   MET  35           HG3      MET  35  -8.306   1.262   0.383
  290   1HE   MET  35           HE3      MET  35  -6.050   2.667  -0.490
  291   2HE   MET  35           HE2      MET  35  -7.478   2.723  -1.522
  292   3HE   MET  35           HE1      MET  35  -6.561   4.195  -1.206
  293    H    TRP  36           H        TRP  36  -8.037  -0.902   1.368
  294    HA   TRP  36           HA       TRP  36  -6.322  -1.182   3.739
  295   1HB   TRP  36           HB2      TRP  36  -7.025  -2.979   1.531
  296   2HB   TRP  36           HB3      TRP  36  -5.306  -2.917   1.887
  297    HD1  TRP  36           HD1      TRP  36  -8.183  -4.875   2.795
  298    HE1  TRP  36           HE1      TRP  36  -7.905  -6.016   5.088
  299    HE3  TRP  36           HE3      TRP  36  -4.214  -2.182   4.571
  300    HZ2  TRP  36           HZ2      TRP  36  -6.232  -5.801   7.344
  301    HZ3  TRP  36           HZ3      TRP  36  -3.340  -2.714   6.806
  302    HH2  TRP  36           HH2      TRP  36  -4.330  -4.484   8.162
  303    H    THR  37           H        THR  37  -5.089   0.635   3.668
  304    HA   THR  37           HA       THR  37  -3.174   0.799   1.470
  305    HB   THR  37           HB       THR  37  -5.106   2.290   0.880
  306    HG1  THR  37           HG1      THR  37  -3.186   4.177   1.189
  307   1HG2  THR  37          1HG2      THR  37  -5.667   2.998   3.167
  308   2HG2  THR  37          3HG2      THR  37  -4.138   3.871   3.267
  309   3HG2  THR  37          2HG2      THR  37  -5.370   4.380   2.113
  310    H    ARG  38           H        ARG  38  -1.932   3.214   2.188
  311    HA   ARG  38           HA       ARG  38  -0.641   2.377   4.636
  312   1HB   ARG  38           HB2      ARG  38   0.013   4.282   2.444
  313   2HB   ARG  38           HB3      ARG  38   0.723   4.572   4.019
  314   1HG   ARG  38           HG2      ARG  38   1.868   2.548   4.018
  315   2HG   ARG  38           HG3      ARG  38   0.922   1.927   2.663
  316   1HD   ARG  38           HD2      ARG  38   3.329   2.821   2.286
  317   2HD   ARG  38           HD3      ARG  38   2.082   3.154   1.116
  318    HE   ARG  38           HE       ARG  38   1.934   5.391   2.133
  319   1HH1  ARG  38          1HH1      ARG  38   4.765   3.457   2.756
  320   2HH1  ARG  38          2HH1      ARG  38   5.815   4.820   2.956
  321   1HH2  ARG  38          1HH2      ARG  38   3.327   7.197   2.370
  322   2HH2  ARG  38          2HH2      ARG  38   4.999   6.939   2.740
  323    H    VAL  39           H        VAL  39  -0.221   3.827   6.414
  324    HA   VAL  39           HA       VAL  39  -2.587   5.206   7.241
  325    HB   VAL  39           HB       VAL  39   0.113   5.142   8.599
  326   1HG1  VAL  39          3HG1      VAL  39  -2.641   5.749   9.671
  327   2HG1  VAL  39          2HG1      VAL  39  -1.169   5.630  10.634
  328   3HG1  VAL  39          1HG1      VAL  39  -1.334   6.909   9.431
  329   1HG2  VAL  39          1HG2      VAL  39  -1.052   2.903   8.072
  330   2HG2  VAL  39          3HG2      VAL  39  -0.491   3.198   9.719
  331   3HG2  VAL  39          2HG2      VAL  39  -2.202   3.383   9.320
  332    H    GLY  40           H        GLY  40  -3.033   7.333   7.236
  333   1HA   GLY  40           HA3      GLY  40  -0.951   9.325   7.059
  334   2HA   GLY  40           HA2      GLY  40  -2.681   9.624   7.132
  335    H    PHE  41           H        PHE  41  -2.429   7.412   4.801
  336    HA   PHE  41           HA       PHE  41  -2.192   9.449   2.690
  337   1HB   PHE  41           HB2      PHE  41  -1.241   6.583   2.510
  338   2HB   PHE  41           HB3      PHE  41  -1.112   7.804   1.247
  339    HD1  PHE  41           HD1      PHE  41   0.235   9.920   1.817
  340    HD2  PHE  41           HD2      PHE  41   0.442   6.309   4.042
  341    HE1  PHE  41           HE1      PHE  41   2.391  10.639   2.766
  342    HE2  PHE  41           HE2      PHE  41   2.598   7.014   5.002
  343    HZ   PHE  41           HZ       PHE  41   3.575   9.184   4.364
  344    H    VAL  42           H        VAL  42  -4.221   7.552   4.277
  345    HA   VAL  42           HA       VAL  42  -5.698   6.010   2.594
  346    HB   VAL  42           HB       VAL  42  -6.329   6.212   4.900
  347   1HG1  VAL  42          3HG1      VAL  42  -5.736   8.544   5.256
  348   2HG1  VAL  42          2HG1      VAL  42  -7.108   9.057   4.275
  349   3HG1  VAL  42          1HG1      VAL  42  -7.381   8.229   5.807
  350   1HG2  VAL  42          2HG2      VAL  42  -8.533   7.238   3.117
  351   2HG2  VAL  42          1HG2      VAL  42  -8.104   5.549   3.388
  352   3HG2  VAL  42          3HG2      VAL  42  -8.760   6.515   4.711
  353    H    GLY  43           H        GLY  43  -6.997   6.270   0.868
  354   1HA   GLY  43           HA3      GLY  43  -8.001   8.938   0.206
  355   2HA   GLY  43           HA2      GLY  43  -8.522   7.424  -0.520
  356    H    LYS  44           H        LYS  44  -5.169   8.391  -0.118
  357    HA   LYS  44           HA       LYS  44  -4.801   9.463  -2.705
  358   1HB   LYS  44           HB2      LYS  44  -2.756   8.221  -0.858
  359   2HB   LYS  44           HB3      LYS  44  -2.418   9.280  -2.215
  360   1HG   LYS  44           HG2      LYS  44  -3.666  11.082  -1.079
  361   2HG   LYS  44           HG3      LYS  44  -3.870  10.013   0.313
  362   1HD   LYS  44           HD2      LYS  44  -1.443   9.866   0.560
  363   2HD   LYS  44           HD3      LYS  44  -1.232  10.922  -0.840
  364   1HE   LYS  44           HE2      LYS  44  -2.607  11.657   1.740
  365   2HE   LYS  44           HE3      LYS  44  -0.987  12.154   1.255
  366   1HZ   LYS  44           HZ1      LYS  44  -3.501  12.850  -0.164
  367   2HZ   LYS  44           HZ3      LYS  44  -2.611  13.889   0.831
  368   3HZ   LYS  44           HZ2      LYS  44  -1.945  13.332  -0.621
  369    H    ASP  45           H        ASP  45  -2.626   8.211  -3.788
  370    HA   ASP  45           HA       ASP  45  -3.571   5.490  -4.386
  371   1HB   ASP  45           HB2      ASP  45  -3.449   7.751  -6.146
  372   2HB   ASP  45           HB3      ASP  45  -2.311   6.527  -6.695
  373    H    VAL  46           H        VAL  46  -0.849   7.749  -4.605
  374    HA   VAL  46           HA       VAL  46   1.081   5.688  -5.050
  375    HB   VAL  46           HB       VAL  46   1.560   7.858  -5.930
  376   1HG1  VAL  46          2HG1      VAL  46   0.236   9.187  -4.380
  377   2HG1  VAL  46          1HG1      VAL  46   1.409   8.882  -3.098
  378   3HG1  VAL  46          3HG1      VAL  46   1.875   9.827  -4.513
  379   1HG2  VAL  46          2HG2      VAL  46   3.490   6.567  -5.177
  380   2HG2  VAL  46          1HG2      VAL  46   3.773   8.298  -4.998
  381   3HG2  VAL  46          3HG2      VAL  46   3.379   7.319  -3.585
  382    H    LEU  47           H        LEU  47   0.228   7.696  -2.254
  383    HA   LEU  47           HA       LEU  47   0.422   7.356  -0.024
  384   1HB   LEU  47           HB2      LEU  47   1.593   4.649  -0.462
  385   2HB   LEU  47           HB3      LEU  47   0.591   5.220   0.851
  386    HG   LEU  47           HG       LEU  47  -0.380   4.737  -1.965
  387   1HD1  LEU  47          3HD1      LEU  47  -0.686   3.077   0.533
  388   2HD1  LEU  47          2HD1      LEU  47  -1.551   2.801  -0.979
  389   3HD1  LEU  47          1HD1      LEU  47   0.205   2.640  -0.925
  390   1HD2  LEU  47          3HD2      LEU  47  -1.862   5.417   0.571
  391   2HD2  LEU  47          2HD2      LEU  47  -1.662   6.454  -0.840
  392   3HD2  LEU  47          1HD2      LEU  47  -2.612   4.973  -0.962
  393    H    SER  48           H        SER  48   3.119   5.626  -1.529
  394    HA   SER  48           HA       SER  48   5.134   6.129   0.224
  395   1HB   SER  48           HB2      SER  48   6.629   5.615  -1.537
  396   2HB   SER  48           HB3      SER  48   5.149   4.742  -1.910
  397    HG   SER  48           HG       SER  48   5.454   5.713  -3.771
  398    H    ASP  49           H        ASP  49   7.195   7.490  -0.562
  399    HA   ASP  49           HA       ASP  49   6.538  10.134  -1.507
  400   1HB   ASP  49           HB2      ASP  49   7.249   9.645   1.380
  401   2HB   ASP  49           HB3      ASP  49   7.519  11.201   0.600
  402    H    GLU  50           H        GLU  50   9.103   9.336   0.761
  403    HA   GLU  50           HA       GLU  50  11.052   9.404  -1.437
  404   1HB   GLU  50           HB2      GLU  50  12.499  10.824  -0.091
  405   2HB   GLU  50           HB3      GLU  50  10.935  11.592  -0.333
  406   1HG   GLU  50           HG2      GLU  50  10.245  10.856   1.905
  407   2HG   GLU  50           HG3      GLU  50  11.849  10.167   2.153
  408    H    ILE  51           H        ILE  51  10.174   8.283   1.749
  409    HA   ILE  51           HA       ILE  51  12.615   6.900   2.289
  410    HB   ILE  51           HB       ILE  51   9.906   6.372   3.503
  411   1HG1  ILE  51          2HG1      ILE  51  10.536   8.784   3.573
  412   2HG1  ILE  51          3HG1      ILE  51  10.409   8.040   5.160
  413   1HG2  ILE  51          2HG2      ILE  51  12.708   5.897   4.503
  414   2HG2  ILE  51          1HG2      ILE  51  11.243   5.669   5.457
  415   3HG2  ILE  51          3HG2      ILE  51  11.529   4.673   4.030
  416   1HD1  ILE  51          3HD1      ILE  51  12.984   8.525   3.680
  417   2HD1  ILE  51          2HD1      ILE  51  12.335   9.550   4.962
  418   3HD1  ILE  51          1HD1      ILE  51  12.815   7.891   5.318
  419    H    LEU  52           H        LEU  52   9.417   5.396   2.121
  420    HA   LEU  52           HA       LEU  52  10.629   3.116   0.723
  421   1HB   LEU  52           HB2      LEU  52   8.343   3.460   2.583
  422   2HB   LEU  52           HB3      LEU  52   8.183   2.220   1.354
  423    HG   LEU  52           HG       LEU  52  10.543   2.351   3.213
  424   1HD1  LEU  52          3HD1      LEU  52   7.966   0.829   3.568
  425   2HD1  LEU  52          2HD1      LEU  52   9.420   0.621   4.545
  426   3HD1  LEU  52          1HD1      LEU  52   8.548   2.153   4.577
  427   1HD2  LEU  52          3HD2      LEU  52  10.669   1.044   1.070
  428   2HD2  LEU  52          2HD2      LEU  52  10.936   0.108   2.542
  429   3HD2  LEU  52          1HD2      LEU  52   9.385   0.019   1.708
  430    H    GLU  53           H        GLU  53  10.389   3.093  -1.433
  431    HA   GLU  53           HA       GLU  53   8.421   4.603  -2.811
  432   1HB   GLU  53           HB2      GLU  53  10.625   2.815  -3.498
  433   2HB   GLU  53           HB3      GLU  53   9.257   2.647  -4.588
  434   1HG   GLU  53           HG2      GLU  53  10.067   5.397  -3.972
  435   2HG   GLU  53           HG3      GLU  53  11.230   4.440  -4.885
  436    H    VAL  54           H        VAL  54   6.642   3.747  -1.447
  437    HA   VAL  54           HA       VAL  54   5.736   1.072  -1.850
  438    HB   VAL  54           HB       VAL  54   4.163   3.385  -0.735
  439   1HG1  VAL  54          2HG1      VAL  54   3.907   0.400  -0.421
  440   2HG1  VAL  54          1HG1      VAL  54   2.948   1.596   0.449
  441   3HG1  VAL  54          3HG1      VAL  54   2.813   1.464  -1.304
  442   1HG2  VAL  54          2HG2      VAL  54   6.175   1.571   0.558
  443   2HG2  VAL  54          1HG2      VAL  54   6.098   3.330   0.591
  444   3HG2  VAL  54          3HG2      VAL  54   4.914   2.379   1.487
  445    H    VAL  55           H        VAL  55   5.597   0.978  -4.160
  446    HA   VAL  55           HA       VAL  55   3.622   2.606  -5.495
  447    HB   VAL  55           HB       VAL  55   4.925   0.113  -6.562
  448   1HG1  VAL  55          1HG1      VAL  55   2.912   1.114  -7.704
  449   2HG1  VAL  55          3HG1      VAL  55   3.917   2.520  -8.055
  450   3HG1  VAL  55          2HG1      VAL  55   4.353   0.940  -8.707
  451   1HG2  VAL  55          2HG2      VAL  55   5.941   2.952  -6.706
  452   2HG2  VAL  55          1HG2      VAL  55   6.681   1.624  -5.810
  453   3HG2  VAL  55          3HG2      VAL  55   6.624   1.576  -7.572
  454    H    CYS  56           H        CYS  56   1.776   2.137  -4.338
  455    HA   CYS  56           HA       CYS  56   0.821  -0.621  -4.279
  456   1HB   CYS  56           HB2      CYS  56   0.659   0.513  -2.172
  457   2HB   CYS  56           HB3      CYS  56  -0.155   1.888  -2.913
  458    HG   CYS  56           HG       CYS  56  -2.452   0.327  -3.585
  459    H    LYS  57           H        LYS  57  -1.210  -1.223  -5.029
  460    HA   LYS  57           HA       LYS  57  -2.624   0.652  -6.767
  461   1HB   LYS  57           HB2      LYS  57  -1.947  -2.145  -7.653
  462   2HB   LYS  57           HB3      LYS  57  -2.726  -0.890  -8.598
  463   1HG   LYS  57           HG2      LYS  57  -0.666   0.420  -8.570
  464   2HG   LYS  57           HG3      LYS  57   0.122  -0.843  -7.622
  465   1HD   LYS  57           HD2      LYS  57  -0.220  -2.433  -9.446
  466   2HD   LYS  57           HD3      LYS  57  -1.025  -1.179 -10.393
  467   1HE   LYS  57           HE2      LYS  57   1.838  -1.118  -9.446
  468   2HE   LYS  57           HE3      LYS  57   1.301  -1.471 -11.087
  469   1HZ   LYS  57           HZ2      LYS  57   0.881   1.091  -9.647
  470   2HZ   LYS  57           HZ1      LYS  57   2.020   0.822 -10.867
  471   3HZ   LYS  57           HZ3      LYS  57   0.368   0.753 -11.223
  472    H    TYR  58           H        TYR  58  -4.602   0.695  -6.032
  473    HA   TYR  58           HA       TYR  58  -5.731  -1.640  -4.691
  474   1HB   TYR  58           HB2      TYR  58  -5.810   0.730  -3.702
  475   2HB   TYR  58           HB3      TYR  58  -7.021   1.079  -4.931
  476    HD1  TYR  58           HD1      TYR  58  -8.710  -1.241  -4.997
  477    HD2  TYR  58           HD2      TYR  58  -6.838   0.600  -1.634
  478    HE1  TYR  58           HE1      TYR  58 -10.457  -2.159  -3.546
  479    HE2  TYR  58           HE2      TYR  58  -8.601  -0.309  -0.173
  480    HH   TYR  58           HH       TYR  58 -10.782  -2.707  -1.174
  481    H    THR  59           H        THR  59  -6.585  -3.046  -6.087
  482    HA   THR  59           HA       THR  59  -8.190  -2.018  -8.328
  483    HB   THR  59           HB       THR  59  -6.950  -4.757  -7.955
  484    HG1  THR  59           HG1      THR  59  -5.598  -2.801  -8.503
  485   1HG2  THR  59          1HG2      THR  59  -8.442  -3.578 -10.307
  486   2HG2  THR  59          3HG2      THR  59  -7.614  -5.136 -10.294
  487   3HG2  THR  59          2HG2      THR  59  -9.015  -4.873  -9.255
  488    HA   PRO  60           HA       PRO  60 -11.554  -3.899  -5.995
  489   1HB   PRO  60           HB2      PRO  60 -13.345  -1.974  -6.483
  490   2HB   PRO  60           HB3      PRO  60 -12.005  -1.710  -5.367
  491   1HG   PRO  60           HG2      PRO  60 -12.438  -0.616  -8.064
  492   2HG   PRO  60           HG3      PRO  60 -11.423  -0.001  -6.752
  493   1HD   PRO  60           HD2      PRO  60 -10.661  -1.601  -9.030
  494   2HD   PRO  60           HD3      PRO  60  -9.626  -0.859  -7.793
  495    H    THR  61           H        THR  61 -11.749  -5.687  -7.460
  496    HA   THR  61           HA       THR  61 -13.122  -5.311  -9.966
  497    HB   THR  61           HB       THR  61 -12.949  -7.919  -9.873
  498    HG1  THR  61           HG1      THR  61 -12.228  -8.402  -7.906
  499   1HG2  THR  61          2HG2      THR  61 -11.677  -6.444 -11.385
  500   2HG2  THR  61          1HG2      THR  61 -10.478  -6.207 -10.113
  501   3HG2  THR  61          3HG2      THR  61 -10.712  -7.807 -10.819
  502    HA   PRO  62           HA       PRO  62 -17.234  -6.116  -8.574
  503   1HB   PRO  62           HB2      PRO  62 -17.639  -7.740 -11.007
  504   2HB   PRO  62           HB3      PRO  62 -18.460  -6.263 -10.493
  505   1HG   PRO  62           HG2      PRO  62 -16.713  -6.250 -12.522
  506   2HG   PRO  62           HG3      PRO  62 -16.832  -4.887 -11.392
  507   1HD   PRO  62           HD2      PRO  62 -14.805  -7.088 -11.498
  508   2HD   PRO  62           HD3      PRO  62 -14.572  -5.356 -11.188
  509    H    SER  63           H        SER  63 -18.860  -8.018  -8.444
  510    HA   SER  63           HA       SER  63 -17.379 -10.365  -7.505
  511   1HB   SER  63           HB2      SER  63 -19.384 -10.829  -6.120
  512   2HB   SER  63           HB3      SER  63 -18.672  -9.259  -5.764
  513    HG   SER  63           HG       SER  63 -20.921  -9.089  -5.971
  514    H    SER  64           H        SER  64 -19.687  -9.281  -9.762
  515    HA   SER  64           HA       SER  64 -20.913 -10.295 -11.394
  516   1HB   SER  64           HB2      SER  64 -18.685 -11.086 -12.087
  517   2HB   SER  64           HB3      SER  64 -18.860 -12.494 -11.039
  518    HG   SER  64           HG       SER  64 -20.166 -13.391 -12.444
  519    H    THR  65           H        THR  65 -21.179 -11.088  -8.375
  520    HA   THR  65           HA       THR  65 -23.009 -13.350  -8.838
  521    HB   THR  65           HB       THR  65 -22.591 -13.939  -6.431
  522    HG1  THR  65           HG1      THR  65 -21.691 -12.114  -5.583
  523   1HG2  THR  65          1HG2      THR  65 -20.188 -13.994  -8.258
  524   2HG2  THR  65          3HG2      THR  65 -20.428 -15.022  -6.845
  525   3HG2  THR  65          2HG2      THR  65 -21.500 -15.173  -8.237
  526    HA   PRO  66           HA       PRO  66 -26.288 -10.946  -7.093
  527   1HB   PRO  66           HB2      PRO  66 -27.629 -12.696  -5.523
  528   2HB   PRO  66           HB3      PRO  66 -27.645 -12.807  -7.289
  529   1HG   PRO  66           HG2      PRO  66 -25.915 -14.278  -5.320
  530   2HG   PRO  66           HG3      PRO  66 -26.854 -14.938  -6.675
  531   1HD   PRO  66           HD2      PRO  66 -24.226 -14.485  -6.898
  532   2HD   PRO  66           HD3      PRO  66 -25.325 -14.166  -8.256
  533    H    MET  67           H        MET  67 -23.700 -11.615  -5.432
  534    HA   MET  67           HA       MET  67 -24.686 -10.481  -2.905
  535   1HB   MET  67           HB2      MET  67 -23.812 -12.777  -2.647
  536   2HB   MET  67           HB3      MET  67 -22.273 -12.260  -3.321
  537   1HG   MET  67           HG2      MET  67 -21.977 -10.718  -1.442
  538   2HG   MET  67           HG3      MET  67 -23.505 -11.271  -0.760
  539   1HE   MET  67           HE1      MET  67 -23.921 -13.751   0.119
  540   2HE   MET  67           HE3      MET  67 -23.400 -14.390  -1.440
  541   3HE   MET  67           HE2      MET  67 -22.704 -15.026   0.051
  542    H    VAL  68           H        VAL  68 -24.436  -8.380  -3.710
  543    HA   VAL  68           HA       VAL  68 -22.448  -7.136  -5.012
  544    HB   VAL  68           HB       VAL  68 -23.712  -6.026  -2.503
  545   1HG1  VAL  68          1HG1      VAL  68 -22.455  -4.644  -4.871
  546   2HG1  VAL  68          3HG1      VAL  68 -23.301  -3.840  -3.548
  547   3HG1  VAL  68          2HG1      VAL  68 -21.802  -4.715  -3.234
  548   1HG2  VAL  68          3HG2      VAL  68 -24.645  -5.913  -5.370
  549   2HG2  VAL  68          2HG2      VAL  68 -25.401  -6.823  -4.061
  550   3HG2  VAL  68          1HG2      VAL  68 -25.386  -5.060  -4.016
  551    H    GLY  69           H        GLY  69 -20.343  -6.833  -4.819
  552   1HA   GLY  69           HA3      GLY  69 -18.828  -7.941  -2.715
  553   2HA   GLY  69           HA2      GLY  69 -18.963  -6.206  -2.468
  554    H    VAL  70           H        VAL  70 -17.698  -4.851  -3.636
  555    HA   VAL  70           HA       VAL  70 -16.432  -5.692  -6.082
  556    HB   VAL  70           HB       VAL  70 -15.716  -3.196  -4.563
  557   1HG1  VAL  70          3HG1      VAL  70 -15.796  -3.927  -7.490
  558   2HG1  VAL  70          2HG1      VAL  70 -15.457  -2.309  -6.877
  559   3HG1  VAL  70          1HG1      VAL  70 -14.364  -3.639  -6.502
  560   1HG2  VAL  70          3HG2      VAL  70 -18.126  -3.597  -6.336
  561   2HG2  VAL  70          2HG2      VAL  70 -18.146  -3.279  -4.601
  562   3HG2  VAL  70          1HG2      VAL  70 -17.556  -2.046  -5.717
  563    H    GLY  71           H        GLY  71 -15.780  -7.161  -3.606
  564   1HA   GLY  71           HA3      GLY  71 -13.931  -8.139  -2.658
  565   2HA   GLY  71           HA2      GLY  71 -13.276  -6.511  -2.567
  566    H    GLY  72           H        GLY  72 -11.465  -6.144  -3.657
  567   1HA   GLY  72           HA3      GLY  72 -10.451  -6.247  -5.936
  568   2HA   GLY  72           HA2      GLY  72 -10.817  -7.963  -5.894
  569    H    ILE  73           H        ILE  73  -8.348  -5.968  -5.787
  570    HA   ILE  73           HA       ILE  73  -6.871  -7.481  -3.748
  571    HB   ILE  73           HB       ILE  73  -6.199  -7.049  -6.604
  572   1HG1  ILE  73          2HG1      ILE  73  -7.031  -9.199  -5.475
  573   2HG1  ILE  73          3HG1      ILE  73  -5.665  -9.317  -6.583
  574   1HG2  ILE  73          1HG2      ILE  73  -4.361  -5.902  -5.519
  575   2HG2  ILE  73          3HG2      ILE  73  -4.087  -7.300  -4.476
  576   3HG2  ILE  73          2HG2      ILE  73  -3.814  -7.427  -6.212
  577   1HD1  ILE  73          3HD1      ILE  73  -5.420  -9.149  -3.584
  578   2HD1  ILE  73          2HD1      ILE  73  -5.369 -10.645  -4.520
  579   3HD1  ILE  73          1HD1      ILE  73  -4.114  -9.423  -4.740
  580    H    TYR  74           H        TYR  74  -5.070  -6.513  -2.920
  581    HA   TYR  74           HA       TYR  74  -4.826  -3.605  -3.229
  582   1HB   TYR  74           HB2      TYR  74  -4.432  -4.854  -0.529
  583   2HB   TYR  74           HB3      TYR  74  -4.886  -3.205  -0.938
  584    HD1  TYR  74           HD1      TYR  74  -6.090  -5.828   0.763
  585    HD2  TYR  74           HD2      TYR  74  -7.225  -3.383  -2.523
  586    HE1  TYR  74           HE1      TYR  74  -8.445  -6.344   1.195
  587    HE2  TYR  74           HE2      TYR  74  -9.580  -3.898  -2.095
  588    HH   TYR  74           HH       TYR  74 -10.920  -5.650  -1.013
  589    H    VAL  75           H        VAL  75  -3.115  -4.306  -4.653
  590    HA   VAL  75           HA       VAL  75  -0.909  -5.781  -3.528
  591    HB   VAL  75           HB       VAL  75  -1.362  -6.365  -5.762
  592   1HG1  VAL  75          2HG1      VAL  75  -1.308  -3.421  -6.380
  593   2HG1  VAL  75          1HG1      VAL  75  -1.335  -4.691  -7.603
  594   3HG1  VAL  75          3HG1      VAL  75  -2.688  -4.516  -6.484
  595   1HG2  VAL  75          2HG2      VAL  75   1.035  -6.070  -5.168
  596   2HG2  VAL  75          1HG2      VAL  75   0.702  -5.923  -6.893
  597   3HG2  VAL  75          3HG2      VAL  75   0.980  -4.478  -5.921
  598    H    VAL  76           H        VAL  76   0.429  -4.794  -2.263
  599    HA   VAL  76           HA       VAL  76   1.190  -2.014  -2.826
  600    HB   VAL  76           HB       VAL  76   1.507  -3.612  -0.282
  601   1HG1  VAL  76          1HG1      VAL  76   2.129  -0.728  -0.895
  602   2HG1  VAL  76          3HG1      VAL  76   2.146  -1.447   0.715
  603   3HG1  VAL  76          2HG1      VAL  76   3.289  -1.999  -0.510
  604   1HG2  VAL  76          2HG2      VAL  76  -0.824  -3.025  -0.803
  605   2HG2  VAL  76          1HG2      VAL  76  -0.227  -2.177   0.623
  606   3HG2  VAL  76          3HG2      VAL  76  -0.357  -1.329  -0.916
  607    H    LEU  77           H        LEU  77   3.116  -1.664  -3.710
  608    HA   LEU  77           HA       LEU  77   5.190  -3.732  -3.471
  609   1HB   LEU  77           HB2      LEU  77   4.827  -1.492  -5.454
  610   2HB   LEU  77           HB3      LEU  77   6.262  -2.499  -5.388
  611    HG   LEU  77           HG       LEU  77   3.446  -3.440  -5.987
  612   1HD1  LEU  77          1HD1      LEU  77   4.427  -2.159  -7.811
  613   2HD1  LEU  77          3HD1      LEU  77   5.868  -3.174  -7.762
  614   3HD1  LEU  77          2HD1      LEU  77   4.315  -3.868  -8.231
  615   1HD2  LEU  77          3HD2      LEU  77   5.114  -5.000  -4.746
  616   2HD2  LEU  77          2HD2      LEU  77   4.228  -5.606  -6.147
  617   3HD2  LEU  77          1HD2      LEU  77   5.908  -5.098  -6.317
  618    H    VAL  78           H        VAL  78   6.363  -3.288  -1.694
  619    HA   VAL  78           HA       VAL  78   7.022  -0.499  -1.116
  620    HB   VAL  78           HB       VAL  78   8.146  -2.317   0.791
  621   1HG1  VAL  78          1HG1      VAL  78   5.906  -0.289   0.952
  622   2HG1  VAL  78          3HG1      VAL  78   6.707  -1.033   2.338
  623   3HG1  VAL  78          2HG1      VAL  78   7.622   0.011   1.252
  624   1HG2  VAL  78          2HG2      VAL  78   6.435  -3.886   0.015
  625   2HG2  VAL  78          1HG2      VAL  78   6.118  -3.338   1.661
  626   3HG2  VAL  78          3HG2      VAL  78   5.193  -2.672   0.316
  627    H    LYS  79           H        LYS  79   8.739   0.239  -2.145
  628    HA   LYS  79           HA       LYS  79  11.109  -1.494  -2.387
  629   1HB   LYS  79           HB2      LYS  79   9.953   0.606  -4.174
  630   2HB   LYS  79           HB3      LYS  79  11.684   0.309  -4.209
  631   1HG   LYS  79           HG2      LYS  79  11.251  -2.053  -4.722
  632   2HG   LYS  79           HG3      LYS  79   9.511  -1.713  -4.750
  633   1HD   LYS  79           HD2      LYS  79  11.559  -0.390  -6.534
  634   2HD   LYS  79           HD3      LYS  79  10.549  -1.758  -7.006
  635   1HE   LYS  79           HE2      LYS  79   8.543  -0.404  -6.602
  636   2HE   LYS  79           HE3      LYS  79   9.563   0.964  -6.157
  637   1HZ   LYS  79           HZ3      LYS  79  10.492   0.946  -8.391
  638   2HZ   LYS  79           HZ2      LYS  79   9.503  -0.358  -8.816
  639   3HZ   LYS  79           HZ1      LYS  79   8.812   1.138  -8.440
  640    HA   PRO  80           HA       PRO  80  12.433   1.490   0.848
  641   1HB   PRO  80           HB2      PRO  80  14.912   0.123   0.943
  642   2HB   PRO  80           HB3      PRO  80  13.573  -0.005   2.083
  643   1HG   PRO  80           HG2      PRO  80  14.321  -1.784  -0.161
  644   2HG   PRO  80           HG3      PRO  80  13.474  -2.167   1.347
  645   1HD   PRO  80           HD2      PRO  80  12.202  -2.056  -1.026
  646   2HD   PRO  80           HD3      PRO  80  11.417  -1.570   0.492
  647    H    ARG  81           H        ARG  81  12.739   3.324  -0.289
  648    HA   ARG  81           HA       ARG  81  14.555   3.627  -2.442
  649   1HB   ARG  81           HB2      ARG  81  12.615   5.222  -1.052
  650   2HB   ARG  81           HB3      ARG  81  14.093   6.150  -1.258
  651   1HG   ARG  81           HG2      ARG  81  14.012   5.842  -3.635
  652   2HG   ARG  81           HG3      ARG  81  12.645   4.735  -3.483
  653   1HD   ARG  81           HD2      ARG  81  11.251   6.517  -2.622
  654   2HD   ARG  81           HD3      ARG  81  12.618   7.636  -2.658
  655    HE   ARG  81           HE       ARG  81  12.006   6.465  -5.214
  656   1HH1  ARG  81          1HH1      ARG  81  11.298   9.067  -3.006
  657   2HH1  ARG  81          2HH1      ARG  81  10.711  10.128  -4.243
  658   1HH2  ARG  81          1HH2      ARG  81  11.235   7.855  -6.847
  659   2HH2  ARG  81          2HH2      ARG  81  10.675   9.439  -6.426
  660    H    LYS  82           H        LYS  82  14.777   4.197   1.024
  661    HA   LYS  82           HA       LYS  82  17.612   4.917   0.667
  662   1HB   LYS  82           HB2      LYS  82  15.836   5.686   2.986
  663   2HB   LYS  82           HB3      LYS  82  17.477   6.238   2.683
  664   1HG   LYS  82           HG2      LYS  82  16.690   7.361   0.634
  665   2HG   LYS  82           HG3      LYS  82  15.043   6.863   1.026
  666   1HD   LYS  82           HD2      LYS  82  15.166   8.114   3.127
  667   2HD   LYS  82           HD3      LYS  82  16.809   8.620   2.726
  668   1HE   LYS  82           HE2      LYS  82  15.953   9.742   0.713
  669   2HE   LYS  82           HE3      LYS  82  14.313   9.270   1.161
  670   1HZ   LYS  82           HZ1      LYS  82  16.104  11.019   2.761
  671   2HZ   LYS  82           HZ3      LYS  82  14.794  11.540   1.825
  672   3HZ   LYS  82           HZ2      LYS  82  14.530  10.570   3.185
  673    H    ARG  83           H        ARG  83  18.928   4.430   2.700
  674    HA   ARG  83           HA       ARG  83  18.269   1.704   3.581
  675   1HB   ARG  83           HB2      ARG  83  20.953   3.093   3.549
  676   2HB   ARG  83           HB3      ARG  83  20.662   1.409   3.956
  677   1HG   ARG  83           HG2      ARG  83  19.965   0.935   1.701
  678   2HG   ARG  83           HG3      ARG  83  20.107   2.641   1.269
  679   1HD   ARG  83           HD2      ARG  83  22.060   1.509   0.481
  680   2HD   ARG  83           HD3      ARG  83  22.517   2.519   1.852
  681    HE   ARG  83           HE       ARG  83  21.912  -0.089   2.738
  682   1HH1  ARG  83          1HH1      ARG  83  24.350   1.702   1.009
  683   2HH1  ARG  83          2HH1      ARG  83  25.637   0.636   1.462
  684   1HH2  ARG  83          1HH2      ARG  83  23.602  -1.497   3.339
  685   2HH2  ARG  83          2HH2      ARG  83  25.213  -1.182   2.787
  686    H    GLY  84           H        GLY  84  17.716   1.401   5.639
  687   1HA   GLY  84           HA3      GLY  84  17.920   3.603   7.515
  688   2HA   GLY  84           HA2      GLY  84  18.891   2.197   7.923
  689    H    HIS  85           H        HIS  85  16.196   3.633   8.794
  690    HA   HIS  85           HA       HIS  85  14.839   1.092   9.380
  691   1HB   HIS  85           HB2      HIS  85  14.671   3.739  10.836
  692   2HB   HIS  85           HB3      HIS  85  13.833   2.260  11.298
  693    HD1  HIS  85           HD1      HIS  85  17.030   4.029  11.651
  694    HD2  HIS  85           HD2      HIS  85  15.591   0.174  12.238
  695    HE1  HIS  85           HE1      HIS  85  18.759   2.874  13.066
  696    HE2  HIS  85           HE2      HIS  85  17.906   0.519  13.340
  697    H    HIS  86           H        HIS  86  13.496   0.864   7.647
  698    HA   HIS  86           HA       HIS  86  11.579   3.038   7.133
  699   1HB   HIS  86           HB2      HIS  86  12.414   0.731   5.361
  700   2HB   HIS  86           HB3      HIS  86  11.181   1.918   4.952
  701    HD1  HIS  86           HD1      HIS  86  14.006   3.454   6.660
  702    HD2  HIS  86           HD2      HIS  86  13.013   2.465   2.750
  703    HE1  HIS  86           HE1      HIS  86  15.574   4.783   5.213
  704    HE2  HIS  86           HE2      HIS  86  14.889   4.242   2.850
  705    H    THR  87           H        THR  87   9.347   2.342   6.586
  706    HA   THR  87           HA       THR  87   8.513  -0.275   7.470
  707    HB   THR  87           HB       THR  87   7.611   2.141   9.048
  708    HG1  THR  87           HG1      THR  87   8.754   1.049  10.761
  709   1HG2  THR  87          1HG2      THR  87   5.887   0.406   8.752
  710   2HG2  THR  87          3HG2      THR  87   7.000  -0.792   9.414
  711   3HG2  THR  87          2HG2      THR  87   6.424   0.532  10.428
  712    H    LEU  88           H        LEU  88   6.375  -0.781   6.924
  713    HA   LEU  88           HA       LEU  88   5.048   1.189   5.180
  714   1HB   LEU  88           HB2      LEU  88   5.852  -0.659   3.876
  715   2HB   LEU  88           HB3      LEU  88   5.166  -1.816   4.998
  716    HG   LEU  88           HG       LEU  88   2.886  -0.856   4.350
  717   1HD1  LEU  88          1HD1      LEU  88   3.704   1.194   3.313
  718   2HD1  LEU  88          3HD1      LEU  88   4.527   0.244   2.076
  719   3HD1  LEU  88          2HD1      LEU  88   2.766   0.228   2.174
  720   1HD2  LEU  88          1HD2      LEU  88   3.679  -3.043   3.622
  721   2HD2  LEU  88          3HD2      LEU  88   2.759  -2.243   2.348
  722   3HD2  LEU  88          2HD2      LEU  88   4.518  -2.292   2.268
  723    H    GLU  89           H        GLU  89   3.753   2.052   6.801
  724    HA   GLU  89           HA       GLU  89   2.167   0.418   8.514
  725   1HB   GLU  89           HB2      GLU  89   2.143   3.365   7.895
  726   2HB   GLU  89           HB3      GLU  89   1.063   2.614   9.062
  727   1HG   GLU  89           HG2      GLU  89   2.913   1.889  10.382
  728   2HG   GLU  89           HG3      GLU  89   4.059   2.501   9.195
  729    H    LEU  90           H        LEU  90   0.841  -0.918   7.297
  730    HA   LEU  90           HA       LEU  90  -1.109   0.422   5.556
  731   1HB   LEU  90           HB2      LEU  90  -0.381  -2.493   5.820
  732   2HB   LEU  90           HB3      LEU  90  -1.729  -1.919   4.864
  733    HG   LEU  90           HG       LEU  90   1.180  -1.263   4.391
  734   1HD1  LEU  90          3HD1      LEU  90  -0.767  -3.039   2.932
  735   2HD1  LEU  90          2HD1      LEU  90   0.806  -2.554   2.299
  736   3HD1  LEU  90          1HD1      LEU  90   0.708  -3.527   3.765
  737   1HD2  LEU  90          3HD2      LEU  90  -1.290  -0.451   2.862
  738   2HD2  LEU  90          2HD2      LEU  90  -0.224   0.615   3.777
  739   3HD2  LEU  90          1HD2      LEU  90   0.373  -0.195   2.328
  740    H    VAL  91           H        VAL  91  -3.111   0.747   6.236
  741    HA   VAL  91           HA       VAL  91  -4.109  -0.848   8.501
  742    HB   VAL  91           HB       VAL  91  -3.357   1.337   9.319
  743   1HG1  VAL  91          1HG1      VAL  91  -5.289   2.434   7.279
  744   2HG1  VAL  91          3HG1      VAL  91  -4.576   3.385   8.584
  745   3HG1  VAL  91          2HG1      VAL  91  -3.540   2.676   7.345
  746   1HG2  VAL  91          3HG2      VAL  91  -6.357   1.027   9.286
  747   2HG2  VAL  91          2HG2      VAL  91  -5.234   0.318  10.448
  748   3HG2  VAL  91          1HG2      VAL  91  -5.457   2.066  10.390
  749    H    TYR  92           H        TYR  92  -6.421  -0.918   8.700
  750    HA   TYR  92           HA       TYR  92  -7.803  -0.740   6.125
  751   1HB   TYR  92           HB2      TYR  92  -7.760  -2.816   7.745
  752   2HB   TYR  92           HB3      TYR  92  -9.003  -1.922   8.610
  753    HD1  TYR  92           HD1      TYR  92 -10.867  -3.307   8.270
  754    HD2  TYR  92           HD2      TYR  92  -8.548  -2.065   4.925
  755    HE1  TYR  92           HE1      TYR  92 -12.571  -4.226   6.754
  756    HE2  TYR  92           HE2      TYR  92 -10.248  -2.977   3.401
  757    HH   TYR  92           HH       TYR  92 -12.035  -4.668   3.436
  758    H    THR  93           H        THR  93  -8.114   1.517   6.086
  759    HA   THR  93           HA       THR  93  -9.798   2.644   8.232
  760    HB   THR  93           HB       THR  93  -7.705   3.809   8.033
  761    HG1  THR  93           HG1      THR  93  -9.571   5.456   6.673
  762   1HG2  THR  93          1HG2      THR  93  -8.412   4.139   5.114
  763   2HG2  THR  93          3HG2      THR  93  -7.047   4.910   5.925
  764   3HG2  THR  93          2HG2      THR  93  -7.103   3.154   5.769
  765    H    ARG  94           H        ARG  94 -11.258   4.434   7.537
  766    HA   ARG  94           HA       ARG  94 -12.641   3.683   5.058
  767   1HB   ARG  94           HB2      ARG  94 -13.617   5.315   7.410
  768   2HB   ARG  94           HB3      ARG  94 -14.574   4.894   5.998
  769   1HG   ARG  94           HG2      ARG  94 -14.269   2.498   6.580
  770   2HG   ARG  94           HG3      ARG  94 -13.471   3.014   8.067
  771   1HD   ARG  94           HD2      ARG  94 -15.816   2.496   8.471
  772   2HD   ARG  94           HD3      ARG  94 -15.488   4.205   8.747
  773    HE   ARG  94           HE       ARG  94 -16.332   4.038   6.140
  774   1HH1  ARG  94          1HH1      ARG  94 -17.641   3.191   9.257
  775   2HH1  ARG  94          2HH1      ARG  94 -19.285   3.447   8.780
  776   1HH2  ARG  94          1HH2      ARG  94 -18.495   4.377   5.503
  777   2HH2  ARG  94          2HH2      ARG  94 -19.771   4.121   6.646
  778    HA   PRO  95           HA       PRO  95 -10.504   7.448   3.525
  779   1HB   PRO  95           HB2      PRO  95 -12.071   6.524   1.156
  780   2HB   PRO  95           HB3      PRO  95 -10.398   7.082   1.249
  781   1HG   PRO  95           HG2      PRO  95 -10.933   4.489   1.019
  782   2HG   PRO  95           HG3      PRO  95  -9.633   5.051   2.087
  783   1HD   PRO  95           HD2      PRO  95 -12.361   4.065   2.783
  784   2HD   PRO  95           HD3      PRO  95 -10.827   3.851   3.644
  785    H    PHE  96           H        PHE  96 -13.897   6.522   3.217
  786    HA   PHE  96           HA       PHE  96 -14.755   9.198   2.608
  787   1HB   PHE  96           HB2      PHE  96 -16.246   6.640   3.199
  788   2HB   PHE  96           HB3      PHE  96 -17.012   8.150   2.749
  789    HD1  PHE  96           HD1      PHE  96 -14.814   5.451   1.583
  790    HD2  PHE  96           HD2      PHE  96 -17.065   8.894   0.490
  791    HE1  PHE  96           HE1      PHE  96 -14.533   4.876  -0.793
  792    HE2  PHE  96           HE2      PHE  96 -16.789   8.325  -1.888
  793    HZ   PHE  96           HZ       PHE  96 -15.522   6.313  -2.531
  794    H    GLU  97           H        GLU  97 -13.529   8.108   5.314
  795    HA   GLU  97           HA       GLU  97 -15.179   9.821   6.988
  796   1HB   GLU  97           HB2      GLU  97 -14.705   6.896   7.563
  797   2HB   GLU  97           HB3      GLU  97 -15.179   8.044   8.806
  798   1HG   GLU  97           HG2      GLU  97 -16.770   7.531   6.306
  799   2HG   GLU  97           HG3      GLU  97 -17.043   6.704   7.840
  800    H    GLY  98           H        GLY  98 -12.802   7.343   7.861
  801   1HA   GLY  98           HA3      GLY  98 -11.309   9.155   9.477
  802   2HA   GLY  98           HA2      GLY  98 -10.483   8.848   7.955
  803    H    ILE  99           H        ILE  99  -8.985   8.112   9.837
  804    HA   ILE  99           HA       ILE  99  -9.166   5.200   9.859
  805    HB   ILE  99           HB       ILE  99  -6.830   6.776  10.873
  806   1HG1  ILE  99          2HG1      ILE  99  -7.080   5.933   7.999
  807   2HG1  ILE  99          3HG1      ILE  99  -7.668   7.510   8.524
  808   1HG2  ILE  99          2HG2      ILE  99  -7.334   4.011   9.847
  809   2HG2  ILE  99          1HG2      ILE  99  -5.712   4.706   9.757
  810   3HG2  ILE  99          3HG2      ILE  99  -6.511   4.529  11.319
  811   1HD1  ILE  99          2HD1      ILE  99  -5.430   8.061   9.328
  812   2HD1  ILE  99          1HD1      ILE  99  -4.849   6.486   8.785
  813   3HD1  ILE  99          3HD1      ILE  99  -5.431   7.665   7.608
  814    H    LYS 100           H        LYS 100  -8.713   3.987  11.779
  815    HA   LYS 100           HA       LYS 100  -9.017   5.390  14.323
  816   1HB   LYS 100           HB2      LYS 100 -10.801   3.097  13.501
  817   2HB   LYS 100           HB3      LYS 100 -10.836   3.939  15.034
  818   1HG   LYS 100           HG2      LYS 100 -11.634   5.937  14.013
  819   2HG   LYS 100           HG3      LYS 100 -11.364   5.283  12.396
  820   1HD   LYS 100           HD2      LYS 100 -13.058   3.517  13.898
  821   2HD   LYS 100           HD3      LYS 100 -13.713   5.155  13.935
  822   1HE   LYS 100           HE2      LYS 100 -13.617   5.267  11.503
  823   2HE   LYS 100           HE3      LYS 100 -12.911   3.652  11.446
  824   1HZ   LYS 100           HZ1      LYS 100 -14.942   2.778  12.439
  825   2HZ   LYS 100           HZ3      LYS 100 -15.618   4.330  12.462
  826   3HZ   LYS 100           HZ2      LYS 100 -15.271   3.580  10.987
  827    HA   PRO 101           HA       PRO 101  -6.231   2.336  15.842
  828   1HB   PRO 101           HB2      PRO 101  -7.064   1.974  18.390
  829   2HB   PRO 101           HB3      PRO 101  -6.284   3.465  17.849
  830   1HG   PRO 101           HG2      PRO 101  -9.195   2.882  18.241
  831   2HG   PRO 101           HG3      PRO 101  -8.274   4.329  18.691
  832   1HD   PRO 101           HD2      PRO 101  -9.827   4.195  16.466
  833   2HD   PRO 101           HD3      PRO 101  -8.368   5.201  16.569
  834    H    GLU 102           H        GLU 102  -9.631   1.645  16.583
  835    HA   GLU 102           HA       GLU 102  -9.326  -1.097  17.093
  836   1HB   GLU 102           HB2      GLU 102 -11.776  -1.222  16.617
  837   2HB   GLU 102           HB3      GLU 102 -11.325   0.001  17.799
  838   1HG   GLU 102           HG2      GLU 102 -11.446   1.709  16.072
  839   2HG   GLU 102           HG3      GLU 102 -11.911   0.484  14.897
  840    H    ASN 103           H        ASN 103  -9.519   0.715  14.148
  841    HA   ASN 103           HA       ASN 103 -10.347  -1.231  12.344
  842   1HB   ASN 103           HB2      ASN 103  -8.310   0.958  11.909
  843   2HB   ASN 103           HB3      ASN 103  -9.140   0.068  10.638
  844   1HD2  ASN 103          1HD2      ASN 103 -11.594   0.051  12.412
  845   2HD2  ASN 103          2HD2      ASN 103 -12.285   1.616  12.182
  846    H    GLU 104           H        GLU 104  -9.154  -2.570  10.867
  847    HA   GLU 104           HA       GLU 104  -7.299  -4.241  12.063
  848   1HB   GLU 104           HB2      GLU 104  -8.715  -4.210   9.689
  849   2HB   GLU 104           HB3      GLU 104  -7.040  -4.134   9.161
  850   1HG   GLU 104           HG2      GLU 104  -7.283  -6.383   9.267
  851   2HG   GLU 104           HG3      GLU 104  -6.777  -6.071  10.925
  852    H    ARG 105           H        ARG 105  -5.081  -4.685  11.346
  853    HA   ARG 105           HA       ARG 105  -3.603  -2.250  10.598
  854   1HB   ARG 105           HB2      ARG 105  -3.535  -2.626  13.069
  855   2HB   ARG 105           HB3      ARG 105  -2.791  -4.186  12.775
  856   1HG   ARG 105           HG2      ARG 105  -0.938  -2.927  13.231
  857   2HG   ARG 105           HG3      ARG 105  -1.027  -2.752  11.476
  858   1HD   ARG 105           HD2      ARG 105  -0.652  -0.594  12.505
  859   2HD   ARG 105           HD3      ARG 105  -2.244  -0.647  11.745
  860    HE   ARG 105           HE       ARG 105  -2.576  -1.397  14.394
  861   1HH1  ARG 105          1HH1      ARG 105  -1.559   1.416  12.606
  862   2HH1  ARG 105          2HH1      ARG 105  -2.113   2.538  13.803
  863   1HH2  ARG 105          1HH2      ARG 105  -3.310   0.074  15.977
  864   2HH2  ARG 105          2HH2      ARG 105  -3.108   1.776  15.719
  865    H    TYR 106           H        TYR 106  -1.392  -2.710   9.861
  866    HA   TYR 106           HA       TYR 106  -0.389  -5.265   9.337
  867   1HB   TYR 106           HB2      TYR 106  -2.332  -5.305   7.758
  868   2HB   TYR 106           HB3      TYR 106  -1.590  -3.963   6.884
  869    HD1  TYR 106           HD1      TYR 106   0.329  -4.327   5.460
  870    HD2  TYR 106           HD2      TYR 106  -1.332  -7.535   7.706
  871    HE1  TYR 106           HE1      TYR 106   1.630  -5.926   4.125
  872    HE2  TYR 106           HE2      TYR 106  -0.033  -9.145   6.377
  873    HH   TYR 106           HH       TYR 106   1.045  -9.270   4.175
  874    H    THR 107           H        THR 107   1.032  -3.612  10.427
  875    HA   THR 107           HA       THR 107   2.327  -1.717   8.656
  876    HB   THR 107           HB       THR 107   3.100  -2.392  11.494
  877    HG1  THR 107           HG1      THR 107   1.634  -0.118  11.179
  878   1HG2  THR 107          3HG2      THR 107   3.496   0.072   9.800
  879   2HG2  THR 107          2HG2      THR 107   3.973  -0.096  11.489
  880   3HG2  THR 107          1HG2      THR 107   4.739  -1.092  10.252
  881    H    LEU 108           H        LEU 108   3.449  -2.912   7.142
  882    HA   LEU 108           HA       LEU 108   5.140  -5.102   7.865
  883   1HB   LEU 108           HB2      LEU 108   4.150  -5.072   5.678
  884   2HB   LEU 108           HB3      LEU 108   4.858  -3.515   5.319
  885    HG   LEU 108           HG       LEU 108   7.079  -4.484   5.238
  886   1HD1  LEU 108          1HD1      LEU 108   5.733  -7.089   5.941
  887   2HD1  LEU 108          3HD1      LEU 108   7.424  -6.896   5.478
  888   3HD1  LEU 108          2HD1      LEU 108   6.830  -6.170   6.972
  889   1HD2  LEU 108          2HD2      LEU 108   5.743  -4.537   3.202
  890   2HD2  LEU 108          1HD2      LEU 108   6.822  -5.928   3.296
  891   3HD2  LEU 108          3HD2      LEU 108   5.106  -6.118   3.654
  892    H    HIS 109           H        HIS 109   6.660  -4.433   9.337
  893    HA   HIS 109           HA       HIS 109   8.283  -2.109   8.884
  894   1HB   HIS 109           HB2      HIS 109   8.195  -4.254  10.943
  895   2HB   HIS 109           HB3      HIS 109   9.627  -3.242  10.817
  896    HD1  HIS 109           HD1      HIS 109   9.515  -0.988  11.901
  897    HD2  HIS 109           HD2      HIS 109   5.781  -2.775  11.549
  898    HE1  HIS 109           HE1      HIS 109   7.939   0.492  13.184
  899    HE2  HIS 109           HE2      HIS 109   5.671  -0.562  12.885
  900    H    LEU 110           H        LEU 110  10.317  -1.984   8.150
  901    HA   LEU 110           HA       LEU 110  11.715  -4.396   7.305
  902   1HB   LEU 110           HB2      LEU 110  11.013  -2.107   5.471
  903   2HB   LEU 110           HB3      LEU 110  12.161  -3.370   5.075
  904    HG   LEU 110           HG       LEU 110   9.218  -3.802   5.618
  905   1HD1  LEU 110          2HD1      LEU 110  10.770  -3.759   3.034
  906   2HD1  LEU 110          1HD1      LEU 110   9.090  -4.269   3.204
  907   3HD1  LEU 110          3HD1      LEU 110   9.544  -2.599   3.546
  908   1HD2  LEU 110          2HD2      LEU 110  10.679  -5.710   6.212
  909   2HD2  LEU 110          1HD2      LEU 110   9.584  -6.059   4.875
  910   3HD2  LEU 110          3HD2      LEU 110  11.284  -5.721   4.556
  911    H    ASN 111           H        ASN 111  13.419  -4.046   8.693
  912    HA   ASN 111           HA       ASN 111  14.670  -1.475   8.939
  913   1HB   ASN 111           HB2      ASN 111  14.711  -3.041  10.819
  914   2HB   ASN 111           HB3      ASN 111  15.589  -4.216   9.845
  915   1HD2  ASN 111          1HD2      ASN 111  17.316  -4.277  11.260
  916   2HD2  ASN 111          2HD2      ASN 111  18.442  -2.975  11.405
  917    H    VAL 112           H        VAL 112  15.000  -1.108   6.675
  918    HA   VAL 112           HA       VAL 112  16.427  -2.662   4.904
  919    HB   VAL 112           HB       VAL 112  16.800   0.314   4.910
  920   1HG1  VAL 112          2HG1      VAL 112  17.856  -1.038   3.158
  921   2HG1  VAL 112          1HG1      VAL 112  16.274  -1.679   2.715
  922   3HG1  VAL 112          3HG1      VAL 112  16.621   0.038   2.504
  923   1HG2  VAL 112          2HG2      VAL 112  14.252  -1.175   4.322
  924   2HG2  VAL 112          1HG2      VAL 112  14.498   0.144   5.466
  925   3HG2  VAL 112          3HG2      VAL 112  14.581   0.453   3.732
  926    H    LYS 113           H        LYS 113  18.459  -3.353   4.826
  927    HA   LYS 113           HA       LYS 113  20.385  -2.608   6.773
  928   1HB   LYS 113           HB2      LYS 113  20.629  -4.223   4.232
  929   2HB   LYS 113           HB3      LYS 113  21.925  -4.038   5.403
  930   1HG   LYS 113           HG2      LYS 113  19.228  -5.215   6.034
  931   2HG   LYS 113           HG3      LYS 113  20.660  -6.159   5.616
  932   1HD   LYS 113           HD2      LYS 113  21.838  -5.208   7.549
  933   2HD   LYS 113           HD3      LYS 113  20.390  -4.291   7.971
  934   1HE   LYS 113           HE2      LYS 113  19.153  -6.370   8.279
  935   2HE   LYS 113           HE3      LYS 113  20.585  -7.297   7.832
  936   1HZ   LYS 113           HZ1      LYS 113  21.728  -6.390   9.760
  937   2HZ   LYS 113           HZ3      LYS 113  20.350  -5.505  10.189
  938   3HZ   LYS 113           HZ2      LYS 113  20.315  -7.196  10.226

  No H/Q in entry =         938
  Start of MODEL   14
    1    H1   GLY  -2           HT2      GLY  -2  -2.847  -6.388  33.830
    2    H2   GLY  -2           HT1      GLY  -2  -3.113  -7.050  35.363
    3    H3   GLY  -2           HT3      GLY  -2  -1.800  -6.013  35.105
    4   1HA   GLY  -2           HA2      GLY  -2  -2.154  -8.703  33.900
    5   2HA   GLY  -2           HA3      GLY  -2  -1.067  -8.313  35.224
    6    H    SER  -1           H        SER  -1  -0.814  -9.235  32.277
    7    HA   SER  -1           HA       SER  -1   0.886  -7.135  31.201
    8   1HB   SER  -1           HB2      SER  -1   2.416  -8.375  32.655
    9   2HB   SER  -1           HB3      SER  -1   1.958  -9.886  31.870
   10    HG   SER  -1           HG       SER  -1   3.897  -9.052  31.012
   11    H    HIS   0           H        HIS   0  -0.327 -10.447  30.858
   12    HA   HIS   0           HA       HIS   0  -0.051 -10.346  27.972
   13   1HB   HIS   0           HB2      HIS   0   0.414 -12.443  29.171
   14   2HB   HIS   0           HB3      HIS   0  -1.245 -12.479  29.756
   15    HD1  HIS   0           HD1      HIS   0  -2.982 -13.489  28.241
   16    HD2  HIS   0           HD2      HIS   0   0.664 -12.897  26.337
   17    HE1  HIS   0           HE1      HIS   0  -3.189 -14.645  26.018
   18    HE2  HIS   0           HE2      HIS   0  -1.003 -14.198  24.848
   19    H    MET   1           H        MET   1  -1.538  -9.466  26.710
   20    HA   MET   1           HA       MET   1  -4.314  -9.325  27.683
   21   1HB   MET   1           HB2      MET   1  -2.909  -7.573  25.657
   22   2HB   MET   1           HB3      MET   1  -4.586  -7.407  26.159
   23   1HG   MET   1           HG2      MET   1  -2.171  -7.075  27.924
   24   2HG   MET   1           HG3      MET   1  -3.162  -5.777  27.261
   25   1HE   MET   1           HE2      MET   1  -2.468  -6.074  30.365
   26   2HE   MET   1           HE1      MET   1  -3.455  -4.768  29.710
   27   3HE   MET   1           HE3      MET   1  -4.035  -5.706  31.087
   28    H    ILE   2           H        ILE   2  -5.890  -9.090  25.714
   29    HA   ILE   2           HA       ILE   2  -5.247 -11.263  23.829
   30    HB   ILE   2           HB       ILE   2  -7.651 -11.707  23.676
   31   1HG1  ILE   2          2HG1      ILE   2  -7.934  -9.648  25.878
   32   2HG1  ILE   2          3HG1      ILE   2  -8.409  -9.399  24.200
   33   1HG2  ILE   2          1HG2      ILE   2  -6.312 -12.937  25.297
   34   2HG2  ILE   2          3HG2      ILE   2  -6.622 -11.695  26.511
   35   3HG2  ILE   2          2HG2      ILE   2  -7.949 -12.682  25.900
   36   1HD1  ILE   2          1HD1      ILE   2 -10.046 -11.200  24.403
   37   2HD1  ILE   2          3HD1      ILE   2  -9.579 -11.427  26.089
   38   3HD1  ILE   2          2HD1      ILE   2 -10.329  -9.916  25.577
   39    H    ALA   3           H        ALA   3  -5.334  -8.050  23.924
   40    HA   ALA   3           HA       ALA   3  -7.030  -7.188  21.895
   41   1HB   ALA   3           HB2      ALA   3  -4.313  -6.092  22.610
   42   2HB   ALA   3           HB1      ALA   3  -5.567  -5.247  21.702
   43   3HB   ALA   3           HB3      ALA   3  -5.836  -5.668  23.393
   44    HA   PRO   4           HA       PRO   4  -5.309  -9.468  18.409
   45   1HB   PRO   4           HB2      PRO   4  -6.894  -7.399  16.963
   46   2HB   PRO   4           HB3      PRO   4  -6.867  -9.152  16.743
   47   1HG   PRO   4           HG2      PRO   4  -8.905  -7.978  17.983
   48   2HG   PRO   4           HG3      PRO   4  -8.266  -9.528  18.561
   49   1HD   PRO   4           HD2      PRO   4  -7.886  -6.784  19.677
   50   2HD   PRO   4           HD3      PRO   4  -8.065  -8.333  20.525
   51    H    LEU   5           H        LEU   5  -3.203  -9.018  18.105
   52    HA   LEU   5           HA       LEU   5  -2.514  -6.675  16.544
   53   1HB   LEU   5           HB2      LEU   5  -0.628  -6.092  18.084
   54   2HB   LEU   5           HB3      LEU   5  -2.228  -5.729  18.700
   55    HG   LEU   5           HG       LEU   5  -2.023  -8.013  19.922
   56   1HD1  LEU   5          1HD1      LEU   5   0.863  -7.412  19.298
   57   2HD1  LEU   5          3HD1      LEU   5   0.316  -8.556  20.523
   58   3HD1  LEU   5          2HD1      LEU   5  -0.049  -8.844  18.822
   59   1HD2  LEU   5          3HD2      LEU   5  -2.087  -5.848  21.038
   60   2HD2  LEU   5          2HD2      LEU   5  -0.922  -6.922  21.811
   61   3HD2  LEU   5          1HD2      LEU   5  -0.362  -5.636  20.744
   62    H    SER   6           H        SER   6  -2.225  -9.878  17.232
   63    HA   SER   6           HA       SER   6   0.044 -10.149  15.429
   64   1HB   SER   6           HB2      SER   6   1.094 -10.160  17.641
   65   2HB   SER   6           HB3      SER   6  -0.004 -11.433  18.172
   66    HG   SER   6           HG       SER   6   1.479 -11.914  15.867
   67    H    VAL   7           H        VAL   7  -2.905 -11.200  16.711
   68    HA   VAL   7           HA       VAL   7  -2.769 -13.906  15.737
   69    HB   VAL   7           HB       VAL   7  -5.246 -12.389  16.553
   70   1HG1  VAL   7          3HG1      VAL   7  -4.609 -15.335  16.446
   71   2HG1  VAL   7          2HG1      VAL   7  -6.093 -14.642  17.100
   72   3HG1  VAL   7          1HG1      VAL   7  -5.712 -14.455  15.389
   73   1HG2  VAL   7          3HG2      VAL   7  -3.607 -12.243  18.344
   74   2HG2  VAL   7          2HG2      VAL   7  -4.923 -13.328  18.794
   75   3HG2  VAL   7          1HG2      VAL   7  -3.368 -13.990  18.288
   76    H    LYS   8           H        LYS   8  -3.231 -10.926  14.342
   77    HA   LYS   8           HA       LYS   8  -4.733 -12.061  12.078
   78   1HB   LYS   8           HB2      LYS   8  -4.374  -9.122  12.648
   79   2HB   LYS   8           HB3      LYS   8  -5.516  -9.883  11.555
   80   1HG   LYS   8           HG2      LYS   8  -5.567  -9.848  14.556
   81   2HG   LYS   8           HG3      LYS   8  -6.756  -9.184  13.433
   82   1HD   LYS   8           HD2      LYS   8  -6.119 -12.118  13.681
   83   2HD   LYS   8           HD3      LYS   8  -7.448 -11.321  14.526
   84   1HE   LYS   8           HE2      LYS   8  -7.082 -11.470  11.534
   85   2HE   LYS   8           HE3      LYS   8  -8.223 -12.422  12.486
   86   1HZ   LYS   8           HZ3      LYS   8  -8.239  -9.463  12.224
   87   2HZ   LYS   8           HZ2      LYS   8  -9.301 -10.527  11.451
   88   3HZ   LYS   8           HZ1      LYS   8  -9.334 -10.377  13.135
   89    H    ASP   9           H        ASP   9  -1.757 -11.442  13.059
   90    HA   ASP   9           HA       ASP   9   0.277 -11.048  12.118
   91   1HB   ASP   9           HB2      ASP   9  -0.114 -13.039  10.915
   92   2HB   ASP   9           HB3      ASP   9  -1.241 -12.254   9.815
   93    H    ASN  10           H        ASN  10   0.495  -8.871  12.250
   94    HA   ASN  10           HA       ASN  10  -0.057  -7.376   9.798
   95   1HB   ASN  10           HB2      ASN  10  -0.375  -5.395  11.473
   96   2HB   ASN  10           HB3      ASN  10  -1.709  -6.480  11.122
   97   1HD2  ASN  10          1HD2      ASN  10  -1.193  -4.776  13.419
   98   2HD2  ASN  10          2HD2      ASN  10  -1.200  -5.822  14.787
   99    H    ASP  11           H        ASP  11   1.238  -5.996  12.696
  100    HA   ASP  11           HA       ASP  11   3.396  -4.774  11.492
  101   1HB   ASP  11           HB2      ASP  11   3.103  -5.587  14.387
  102   2HB   ASP  11           HB3      ASP  11   4.242  -4.402  13.762
  103    H    LYS  12           H        LYS  12   4.689  -6.035  10.271
  104    HA   LYS  12           HA       LYS  12   6.015  -8.321  11.521
  105   1HB   LYS  12           HB2      LYS  12   5.131  -8.900   9.401
  106   2HB   LYS  12           HB3      LYS  12   5.726  -7.418   8.661
  107   1HG   LYS  12           HG2      LYS  12   7.991  -8.189   8.830
  108   2HG   LYS  12           HG3      LYS  12   7.474  -9.636   9.698
  109   1HD   LYS  12           HD2      LYS  12   6.307 -10.451   7.768
  110   2HD   LYS  12           HD3      LYS  12   6.594  -8.941   6.900
  111   1HE   LYS  12           HE2      LYS  12   8.145 -10.582   6.098
  112   2HE   LYS  12           HE3      LYS  12   9.031  -9.387   7.046
  113   1HZ   LYS  12           HZ1      LYS  12   9.005 -10.915   8.922
  114   2HZ   LYS  12           HZ3      LYS  12   8.173 -12.066   8.000
  115   3HZ   LYS  12           HZ2      LYS  12   9.750 -11.622   7.579
  116    H    TRP  13           H        TRP  13   7.545  -7.414  12.805
  117    HA   TRP  13           HA       TRP  13   9.265  -5.305  11.872
  118   1HB   TRP  13           HB2      TRP  13   9.633  -6.854  14.419
  119   2HB   TRP  13           HB3      TRP  13  10.004  -5.168  14.082
  120    HD1  TRP  13           HD1      TRP  13   6.917  -7.441  14.588
  121    HE1  TRP  13           HE1      TRP  13   4.985  -6.004  15.490
  122    HE3  TRP  13           HE3      TRP  13   9.181  -2.854  14.463
  123    HZ2  TRP  13           HZ2      TRP  13   4.469  -3.290  16.065
  124    HZ3  TRP  13           HZ3      TRP  13   7.901  -0.892  15.218
  125    HH2  TRP  13           HH2      TRP  13   5.601  -1.107  16.008
  126    H    VAL  14           H        VAL  14  10.693  -5.909  10.331
  127    HA   VAL  14           HA       VAL  14  12.681  -7.926  11.098
  128    HB   VAL  14           HB       VAL  14  12.585  -9.068   8.932
  129   1HG1  VAL  14          2HG1      VAL  14  11.374 -10.010  10.832
  130   2HG1  VAL  14          1HG1      VAL  14   9.940  -9.089  10.380
  131   3HG1  VAL  14          3HG1      VAL  14  10.548 -10.354   9.312
  132   1HG2  VAL  14          3HG2      VAL  14  11.582  -7.155   7.689
  133   2HG2  VAL  14          2HG2      VAL  14  10.818  -8.709   7.361
  134   3HG2  VAL  14          1HG2      VAL  14  10.032  -7.548   8.432
  135    H    ASP  15           H        ASP  15  14.112  -8.146   8.864
  136    HA   ASP  15           HA       ASP  15  15.108  -5.420   8.424
  137   1HB   ASP  15           HB2      ASP  15  16.338  -8.088   8.698
  138   2HB   ASP  15           HB3      ASP  15  17.069  -7.046   7.479
  139    H    THR  16           H        THR  16  16.493  -5.546   6.139
  140    HA   THR  16           HA       THR  16  15.276  -6.987   4.031
  141    HB   THR  16           HB       THR  16  13.490  -5.233   4.762
  142    HG1  THR  16           HG1      THR  16  12.688  -5.483   2.765
  143   1HG2  THR  16          1HG2      THR  16  15.025  -3.306   4.729
  144   2HG2  THR  16          3HG2      THR  16  15.237  -3.529   2.993
  145   3HG2  THR  16          2HG2      THR  16  13.656  -3.093   3.638
  146    H    HIS  17           H        HIS  17  15.626  -5.595   1.853
  147    HA   HIS  17           HA       HIS  17  18.399  -4.600   1.949
  148   1HB   HIS  17           HB2      HIS  17  16.974  -6.393   0.026
  149   2HB   HIS  17           HB3      HIS  17  18.267  -5.366  -0.580
  150    HD1  HIS  17           HD1      HIS  17  17.635  -8.519   1.159
  151    HD2  HIS  17           HD2      HIS  17  20.833  -5.910   0.680
  152    HE1  HIS  17           HE1      HIS  17  19.673  -9.821   1.845
  153    HE2  HIS  17           HE2      HIS  17  21.585  -8.194   1.630
  154    H    VAL  18           H        VAL  18  18.473  -3.648  -0.720
  155    HA   VAL  18           HA       VAL  18  16.777  -1.278  -0.402
  156    HB   VAL  18           HB       VAL  18  19.125  -1.661  -2.261
  157   1HG1  VAL  18          2HG1      VAL  18  17.577   0.805  -1.465
  158   2HG1  VAL  18          1HG1      VAL  18  19.051   0.798  -2.435
  159   3HG1  VAL  18          3HG1      VAL  18  17.584   0.035  -3.051
  160   1HG2  VAL  18          2HG2      VAL  18  18.978  -0.293   0.424
  161   2HG2  VAL  18          1HG2      VAL  18  19.840  -1.788   0.058
  162   3HG2  VAL  18          3HG2      VAL  18  20.365  -0.267  -0.664
  163    H    GLY  19           H        GLY  19  15.140  -0.835  -1.681
  164   1HA   GLY  19           HA3      GLY  19  14.948  -1.379  -4.424
  165   2HA   GLY  19           HA2      GLY  19  13.613  -0.952  -3.373
  166    H    LYS  20           H        LYS  20  14.527  -3.518  -1.797
  167    HA   LYS  20           HA       LYS  20  13.934  -5.699  -3.483
  168   1HB   LYS  20           HB2      LYS  20  14.824  -5.443  -0.915
  169   2HB   LYS  20           HB3      LYS  20  13.181  -5.990  -0.650
  170   1HG   LYS  20           HG2      LYS  20  14.372  -7.960  -0.721
  171   2HG   LYS  20           HG3      LYS  20  13.750  -7.823  -2.370
  172   1HD   LYS  20           HD2      LYS  20  15.820  -7.109  -3.207
  173   2HD   LYS  20           HD3      LYS  20  16.418  -6.728  -1.597
  174   1HE   LYS  20           HE2      LYS  20  16.452  -9.109  -1.039
  175   2HE   LYS  20           HE3      LYS  20  15.833  -9.495  -2.644
  176   1HZ   LYS  20           HZ1      LYS  20  18.433  -8.179  -2.072
  177   2HZ   LYS  20           HZ3      LYS  20  18.226  -9.798  -2.518
  178   3HZ   LYS  20           HZ2      LYS  20  17.840  -8.564  -3.608
  179    H    THR  21           H        THR  21  12.138  -4.987  -4.681
  180    HA   THR  21           HA       THR  21   9.742  -4.005  -3.827
  181    HB   THR  21           HB       THR  21   9.878  -6.113  -5.972
  182    HG1  THR  21           HG1      THR  21  10.300  -4.050  -7.271
  183   1HG2  THR  21          1HG2      THR  21   7.663  -5.232  -5.388
  184   2HG2  THR  21          3HG2      THR  21   8.241  -3.590  -5.675
  185   3HG2  THR  21          2HG2      THR  21   8.143  -4.737  -7.011
  186    H    THR  22           H        THR  22   8.760  -4.735  -2.040
  187    HA   THR  22           HA       THR  22   8.279  -7.605  -1.739
  188    HB   THR  22           HB       THR  22   7.783  -5.325   0.189
  189    HG1  THR  22           HG1      THR  22   9.851  -5.633   0.524
  190   1HG2  THR  22          2HG2      THR  22   7.514  -8.305   0.605
  191   2HG2  THR  22          1HG2      THR  22   7.362  -7.072   1.859
  192   3HG2  THR  22          3HG2      THR  22   6.187  -7.144   0.545
  193    H    GLU  23           H        GLU  23   6.652  -8.162  -3.028
  194    HA   GLU  23           HA       GLU  23   4.303  -6.556  -3.357
  195   1HB   GLU  23           HB2      GLU  23   5.282  -7.915  -5.175
  196   2HB   GLU  23           HB3      GLU  23   4.916  -9.370  -4.261
  197   1HG   GLU  23           HG2      GLU  23   2.583  -9.026  -4.478
  198   2HG   GLU  23           HG3      GLU  23   2.830  -7.399  -5.109
  199    H    ILE  24           H        ILE  24   2.440  -6.720  -2.298
  200    HA   ILE  24           HA       ILE  24   1.939  -9.113  -0.676
  201    HB   ILE  24           HB       ILE  24   1.505  -6.296   0.286
  202   1HG1  ILE  24          2HG1      ILE  24   3.585  -8.337   1.085
  203   2HG1  ILE  24          3HG1      ILE  24   3.888  -6.841   0.211
  204   1HG2  ILE  24          3HG2      ILE  24  -0.128  -7.917   1.127
  205   2HG2  ILE  24          2HG2      ILE  24   1.190  -8.933   1.713
  206   3HG2  ILE  24          1HG2      ILE  24   0.930  -7.334   2.413
  207   1HD1  ILE  24          2HD1      ILE  24   3.152  -5.562   2.162
  208   2HD1  ILE  24          1HD1      ILE  24   2.894  -7.069   3.039
  209   3HD1  ILE  24          3HD1      ILE  24   4.519  -6.614   2.528
  210    H    HIS  25           H        HIS  25   0.253  -9.935  -1.743
  211    HA   HIS  25           HA       HIS  25  -1.911  -8.253  -2.673
  212   1HB   HIS  25           HB2      HIS  25  -2.028 -11.245  -2.622
  213   2HB   HIS  25           HB3      HIS  25  -2.724 -10.129  -3.784
  214    HD1  HIS  25           HD1      HIS  25  -0.085 -12.482  -3.499
  215    HD2  HIS  25           HD2      HIS  25  -0.508  -8.781  -5.336
  216    HE1  HIS  25           HE1      HIS  25   1.725 -12.388  -5.239
  217    HE2  HIS  25           HE2      HIS  25   1.352 -10.203  -6.435
  218    H    LEU  26           H        LEU  26  -3.081  -7.464  -1.013
  219    HA   LEU  26           HA       LEU  26  -3.797  -9.225   1.210
  220   1HB   LEU  26           HB2      LEU  26  -4.300  -6.277   0.855
  221   2HB   LEU  26           HB3      LEU  26  -4.584  -7.199   2.315
  222    HG   LEU  26           HG       LEU  26  -1.832  -6.961   1.123
  223   1HD1  LEU  26          3HD1      LEU  26  -2.661  -4.696   1.475
  224   2HD1  LEU  26          2HD1      LEU  26  -3.116  -5.111   3.128
  225   3HD1  LEU  26          1HD1      LEU  26  -1.417  -5.106   2.656
  226   1HD2  LEU  26          2HD2      LEU  26  -2.356  -8.706   2.851
  227   2HD2  LEU  26          1HD2      LEU  26  -1.084  -7.568   3.298
  228   3HD2  LEU  26          3HD2      LEU  26  -2.703  -7.390   3.974
  229    H    LYS  27           H        LYS  27  -5.944  -9.599   1.802
  230    HA   LYS  27           HA       LYS  27  -7.841  -9.242  -0.406
  231   1HB   LYS  27           HB2      LYS  27  -8.234 -11.055   1.961
  232   2HB   LYS  27           HB3      LYS  27  -9.035 -11.116   0.399
  233   1HG   LYS  27           HG2      LYS  27  -6.825 -11.683  -0.626
  234   2HG   LYS  27           HG3      LYS  27  -6.179 -11.829   1.011
  235   1HD   LYS  27           HD2      LYS  27  -7.828 -13.565   1.513
  236   2HD   LYS  27           HD3      LYS  27  -8.476 -13.423  -0.122
  237   1HE   LYS  27           HE2      LYS  27  -5.671 -14.258   0.603
  238   2HE   LYS  27           HE3      LYS  27  -6.964 -15.332   0.073
  239   1HZ   LYS  27           HZ3      LYS  27  -5.775 -13.135  -1.533
  240   2HZ   LYS  27           HZ2      LYS  27  -5.473 -14.785  -1.742
  241   3HZ   LYS  27           HZ1      LYS  27  -7.017 -14.164  -2.041
  242    H    GLY  28           H        GLY  28 -10.116  -8.855   0.196
  243   1HA   GLY  28           HA3      GLY  28 -10.307  -6.511   1.777
  244   2HA   GLY  28           HA2      GLY  28 -10.959  -7.882   2.657
  245    H    ASN  29           H        ASN  29 -12.263  -5.454   1.576
  246    HA   ASN  29           HA       ASN  29 -13.811  -6.080  -0.691
  247   1HB   ASN  29           HB2      ASN  29 -14.757  -7.826   0.748
  248   2HB   ASN  29           HB3      ASN  29 -15.164  -6.616   1.962
  249   1HD2  ASN  29          1HD2      ASN  29 -17.344  -7.105   1.875
  250   2HD2  ASN  29          2HD2      ASN  29 -18.340  -6.655   0.537
  251    HA   PRO  30           HA       PRO  30 -13.897  -1.632   0.323
  252   1HB   PRO  30           HB2      PRO  30 -14.952  -0.969  -2.153
  253   2HB   PRO  30           HB3      PRO  30 -13.230  -1.064  -1.777
  254   1HG   PRO  30           HG2      PRO  30 -14.998  -3.079  -3.095
  255   2HG   PRO  30           HG3      PRO  30 -13.320  -2.642  -3.467
  256   1HD   PRO  30           HD2      PRO  30 -13.910  -4.883  -2.127
  257   2HD   PRO  30           HD3      PRO  30 -12.469  -3.924  -1.730
  258    H    THR  31           H        THR  31 -16.413  -3.767  -0.776
  259    HA   THR  31           HA       THR  31 -18.603  -2.028  -0.678
  260    HB   THR  31           HB       THR  31 -18.607  -4.984  -0.049
  261    HG1  THR  31           HG1      THR  31 -19.341  -4.550  -2.539
  262   1HG2  THR  31          1HG2      THR  31 -20.693  -3.837   0.479
  263   2HG2  THR  31          3HG2      THR  31 -20.738  -3.157  -1.146
  264   3HG2  THR  31          2HG2      THR  31 -20.894  -4.898  -0.915
  265    H    THR  32           H        THR  32 -16.855  -3.736   1.822
  266    HA   THR  32           HA       THR  32 -18.759  -3.589   3.882
  267    HB   THR  32           HB       THR  32 -16.902  -3.902   5.437
  268    HG1  THR  32           HG1      THR  32 -14.787  -3.734   4.751
  269   1HG2  THR  32          2HG2      THR  32 -17.705  -5.851   4.197
  270   2HG2  THR  32          1HG2      THR  32 -16.553  -5.512   2.905
  271   3HG2  THR  32          3HG2      THR  32 -15.973  -5.971   4.506
  272    H    GLY  33           H        GLY  33 -15.993  -1.442   3.182
  273   1HA   GLY  33           HA3      GLY  33 -17.073   0.533   5.042
  274   2HA   GLY  33           HA2      GLY  33 -17.001   0.997   3.349
  275    H    TYR  34           H        TYR  34 -14.655  -0.952   5.150
  276    HA   TYR  34           HA       TYR  34 -12.811   1.254   5.368
  277   1HB   TYR  34           HB2      TYR  34 -12.516  -1.677   6.036
  278   2HB   TYR  34           HB3      TYR  34 -11.273  -0.468   6.337
  279    HD1  TYR  34           HD1      TYR  34 -14.748  -1.433   7.201
  280    HD2  TYR  34           HD2      TYR  34 -11.328   0.860   8.296
  281    HE1  TYR  34           HE1      TYR  34 -15.781  -0.939   9.376
  282    HE2  TYR  34           HE2      TYR  34 -12.357   1.357  10.471
  283    HH   TYR  34           HH       TYR  34 -14.603   1.451  11.471
  284    H    MET  35           H        MET  35 -10.391   0.444   4.828
  285    HA   MET  35           HA       MET  35 -10.198  -0.749   2.201
  286   1HB   MET  35           HB2      MET  35 -10.417   1.376   1.339
  287   2HB   MET  35           HB3      MET  35  -9.835   2.142   2.811
  288   1HG   MET  35           HG2      MET  35  -7.549   1.362   2.249
  289   2HG   MET  35           HG3      MET  35  -8.184   0.769   0.732
  290   1HE   MET  35           HE2      MET  35 -10.332   2.975   0.007
  291   2HE   MET  35           HE1      MET  35  -9.402   4.107  -0.975
  292   3HE   MET  35           HE3      MET  35  -9.197   2.371  -1.201
  293    H    TRP  36           H        TRP  36  -8.040  -1.337   1.691
  294    HA   TRP  36           HA       TRP  36  -6.258  -1.369   4.027
  295   1HB   TRP  36           HB2      TRP  36  -6.890  -3.325   1.932
  296   2HB   TRP  36           HB3      TRP  36  -5.182  -3.158   2.286
  297    HD1  TRP  36           HD1      TRP  36  -8.035  -5.132   3.314
  298    HE1  TRP  36           HE1      TRP  36  -7.682  -6.182   5.638
  299    HE3  TRP  36           HE3      TRP  36  -4.043  -2.345   4.859
  300    HZ2  TRP  36           HZ2      TRP  36  -5.936  -5.867   7.835
  301    HZ3  TRP  36           HZ3      TRP  36  -3.089  -2.780   7.080
  302    HH2  TRP  36           HH2      TRP  36  -4.019  -4.504   8.539
  303    H    THR  37           H        THR  37  -5.363   0.675   3.655
  304    HA   THR  37           HA       THR  37  -3.491   0.746   1.381
  305    HB   THR  37           HB       THR  37  -5.447   2.213   0.907
  306    HG1  THR  37           HG1      THR  37  -4.112   3.617  -0.003
  307   1HG2  THR  37          1HG2      THR  37  -4.454   3.715   3.333
  308   2HG2  THR  37          3HG2      THR  37  -5.675   4.299   2.201
  309   3HG2  THR  37          2HG2      THR  37  -5.995   2.869   3.183
  310    H    ARG  38           H        ARG  38  -2.211   3.185   2.028
  311    HA   ARG  38           HA       ARG  38  -0.810   2.330   4.428
  312   1HB   ARG  38           HB2      ARG  38  -0.130   4.012   2.095
  313   2HB   ARG  38           HB3      ARG  38   0.601   4.473   3.616
  314   1HG   ARG  38           HG2      ARG  38   1.660   2.384   3.853
  315   2HG   ARG  38           HG3      ARG  38   0.765   1.713   2.488
  316   1HD   ARG  38           HD2      ARG  38   3.123   2.379   2.002
  317   2HD   ARG  38           HD3      ARG  38   1.935   3.075   0.942
  318    HE   ARG  38           HE       ARG  38   2.303   5.172   1.981
  319   1HH1  ARG  38          1HH1      ARG  38   4.378   2.638   3.170
  320   2HH1  ARG  38          2HH1      ARG  38   5.579   3.727   3.780
  321   1HH2  ARG  38          1HH2      ARG  38   3.900   6.616   2.766
  322   2HH2  ARG  38          2HH2      ARG  38   5.306   5.984   3.553
  323    H    VAL  39           H        VAL  39  -0.408   3.652   6.214
  324    HA   VAL  39           HA       VAL  39  -2.587   5.260   7.035
  325    HB   VAL  39           HB       VAL  39   0.132   5.161   8.338
  326   1HG1  VAL  39          3HG1      VAL  39  -2.626   5.681   9.444
  327   2HG1  VAL  39          2HG1      VAL  39  -1.140   5.595  10.390
  328   3HG1  VAL  39          1HG1      VAL  39  -1.354   6.879   9.201
  329   1HG2  VAL  39          2HG2      VAL  39  -0.927   2.890   7.813
  330   2HG2  VAL  39          1HG2      VAL  39  -0.437   3.203   9.480
  331   3HG2  VAL  39          3HG2      VAL  39  -2.137   3.321   9.021
  332    H    GLY  40           H        GLY  40  -2.865   7.431   7.097
  333   1HA   GLY  40           HA3      GLY  40  -0.661   9.258   6.732
  334   2HA   GLY  40           HA2      GLY  40  -2.351   9.689   6.944
  335    H    PHE  41           H        PHE  41  -2.363   7.433   4.600
  336    HA   PHE  41           HA       PHE  41  -2.230   9.464   2.473
  337   1HB   PHE  41           HB2      PHE  41  -1.382   6.574   2.211
  338   2HB   PHE  41           HB3      PHE  41  -1.286   7.811   0.961
  339    HD1  PHE  41           HD1      PHE  41   0.210   9.825   1.412
  340    HD2  PHE  41           HD2      PHE  41   0.355   6.241   3.691
  341    HE1  PHE  41           HE1      PHE  41   2.454  10.439   2.218
  342    HE2  PHE  41           HE2      PHE  41   2.600   6.842   4.505
  343    HZ   PHE  41           HZ       PHE  41   3.652   8.945   3.769
  344    H    VAL  42           H        VAL  42  -4.111   7.436   4.184
  345    HA   VAL  42           HA       VAL  42  -5.721   6.088   2.379
  346    HB   VAL  42           HB       VAL  42  -6.712   7.423   4.899
  347   1HG1  VAL  42          3HG1      VAL  42  -8.390   6.444   3.333
  348   2HG1  VAL  42          2HG1      VAL  42  -7.615   4.878   3.575
  349   3HG1  VAL  42          1HG1      VAL  42  -8.368   5.708   4.936
  350   1HG2  VAL  42          1HG2      VAL  42  -4.562   6.037   5.082
  351   2HG2  VAL  42          3HG2      VAL  42  -5.894   5.656   6.171
  352   3HG2  VAL  42          2HG2      VAL  42  -5.599   4.648   4.757
  353    H    GLY  43           H        GLY  43  -6.552   6.967   0.596
  354   1HA   GLY  43           HA3      GLY  43  -8.102   9.464   0.890
  355   2HA   GLY  43           HA2      GLY  43  -8.505   8.176  -0.238
  356    H    LYS  44           H        LYS  44  -5.225   9.225   0.286
  357    HA   LYS  44           HA       LYS  44  -5.078  11.121  -1.803
  358   1HB   LYS  44           HB2      LYS  44  -2.921   9.474  -0.472
  359   2HB   LYS  44           HB3      LYS  44  -2.626  10.835  -1.540
  360   1HG   LYS  44           HG2      LYS  44  -3.842  12.296   0.038
  361   2HG   LYS  44           HG3      LYS  44  -4.012  10.917   1.129
  362   1HD   LYS  44           HD2      LYS  44  -1.574  10.729   1.268
  363   2HD   LYS  44           HD3      LYS  44  -1.407  12.110   0.181
  364   1HE   LYS  44           HE2      LYS  44  -2.557  13.530   1.807
  365   2HE   LYS  44           HE3      LYS  44  -2.727  12.150   2.892
  366   1HZ   LYS  44           HZ2      LYS  44  -0.320  12.011   3.036
  367   2HZ   LYS  44           HZ1      LYS  44  -0.156  13.334   1.995
  368   3HZ   LYS  44           HZ3      LYS  44  -0.859  13.539   3.521
  369    H    ASP  45           H        ASP  45  -3.343  10.727  -3.609
  370    HA   ASP  45           HA       ASP  45  -4.318   8.509  -5.183
  371   1HB   ASP  45           HB2      ASP  45  -2.487  10.832  -5.780
  372   2HB   ASP  45           HB3      ASP  45  -2.865   9.580  -6.950
  373    H    VAL  46           H        VAL  46  -1.302   9.592  -3.712
  374    HA   VAL  46           HA       VAL  46  -0.171   6.926  -4.241
  375    HB   VAL  46           HB       VAL  46   1.089   9.607  -4.637
  376   1HG1  VAL  46          3HG1      VAL  46   2.584   7.101  -3.872
  377   2HG1  VAL  46          2HG1      VAL  46   3.330   8.528  -4.591
  378   3HG1  VAL  46          1HG1      VAL  46   2.566   8.637  -3.006
  379   1HG2  VAL  46          2HG2      VAL  46   0.221   8.313  -6.534
  380   2HG2  VAL  46          1HG2      VAL  46   1.968   8.545  -6.631
  381   3HG2  VAL  46          3HG2      VAL  46   1.313   6.991  -6.113
  382    H    LEU  47           H        LEU  47   0.629   5.884  -2.559
  383    HA   LEU  47           HA       LEU  47   0.434   7.096   0.059
  384   1HB   LEU  47           HB2      LEU  47   1.486   4.354  -0.392
  385   2HB   LEU  47           HB3      LEU  47   0.493   4.958   0.913
  386    HG   LEU  47           HG       LEU  47  -0.454   4.418  -1.904
  387   1HD1  LEU  47          3HD1      LEU  47  -0.912   2.907   0.664
  388   2HD1  LEU  47          2HD1      LEU  47  -1.718   2.579  -0.869
  389   3HD1  LEU  47          1HD1      LEU  47   0.026   2.360  -0.726
  390   1HD2  LEU  47          2HD2      LEU  47  -1.963   5.291   0.556
  391   2HD2  LEU  47          1HD2      LEU  47  -1.698   6.238  -0.908
  392   3HD2  LEU  47          3HD2      LEU  47  -2.701   4.788  -0.965
  393    H    SER  48           H        SER  48   2.901   5.419  -1.841
  394    HA   SER  48           HA       SER  48   5.109   5.723  -0.235
  395   1HB   SER  48           HB2      SER  48   5.098   4.428  -2.323
  396   2HB   SER  48           HB3      SER  48   5.011   5.921  -3.253
  397    HG   SER  48           HG       SER  48   7.061   6.346  -2.816
  398    H    ASP  49           H        ASP  49   7.095   7.140  -0.962
  399    HA   ASP  49           HA       ASP  49   6.442   9.830  -1.759
  400   1HB   ASP  49           HB2      ASP  49   7.172   9.201   1.096
  401   2HB   ASP  49           HB3      ASP  49   7.459  10.787   0.388
  402    H    GLU  50           H        GLU  50   9.029   9.115   0.471
  403    HA   GLU  50           HA       GLU  50  10.961   9.116  -1.745
  404   1HB   GLU  50           HB2      GLU  50  12.394  10.612  -0.487
  405   2HB   GLU  50           HB3      GLU  50  10.808  11.343  -0.696
  406   1HG   GLU  50           HG2      GLU  50  10.198  10.736   1.569
  407   2HG   GLU  50           HG3      GLU  50  11.760   9.949   1.794
  408    H    ILE  51           H        ILE  51  10.147   8.162   1.516
  409    HA   ILE  51           HA       ILE  51  12.571   6.805   2.112
  410    HB   ILE  51           HB       ILE  51   9.842   6.306   3.295
  411   1HG1  ILE  51          2HG1      ILE  51  10.486   8.707   3.325
  412   2HG1  ILE  51          3HG1      ILE  51  10.361   8.001   4.929
  413   1HG2  ILE  51          3HG2      ILE  51  12.630   5.799   4.317
  414   2HG2  ILE  51          2HG2      ILE  51  11.171   5.667   5.299
  415   3HG2  ILE  51          1HG2      ILE  51  11.403   4.598   3.914
  416   1HD1  ILE  51          2HD1      ILE  51  12.934   8.427   3.429
  417   2HD1  ILE  51          1HD1      ILE  51  12.298   9.491   4.685
  418   3HD1  ILE  51          3HD1      ILE  51  12.764   7.838   5.083
  419    H    LEU  52           H        LEU  52   9.398   5.258   1.937
  420    HA   LEU  52           HA       LEU  52  10.660   2.971   0.594
  421   1HB   LEU  52           HB2      LEU  52   8.378   3.292   2.458
  422   2HB   LEU  52           HB3      LEU  52   8.240   2.030   1.251
  423    HG   LEU  52           HG       LEU  52  10.559   2.269   3.156
  424   1HD1  LEU  52          1HD1      LEU  52   8.077   0.572   3.356
  425   2HD1  LEU  52          3HD1      LEU  52   9.503   0.418   4.384
  426   3HD1  LEU  52          2HD1      LEU  52   8.537   1.893   4.430
  427   1HD2  LEU  52          3HD2      LEU  52  10.937   1.040   1.032
  428   2HD2  LEU  52          2HD2      LEU  52  11.083   0.029   2.469
  429   3HD2  LEU  52          1HD2      LEU  52   9.627  -0.052   1.477
  430    H    GLU  53           H        GLU  53  10.431   2.944  -1.563
  431    HA   GLU  53           HA       GLU  53   8.440   4.363  -2.972
  432   1HB   GLU  53           HB2      GLU  53  10.660   2.592  -3.598
  433   2HB   GLU  53           HB3      GLU  53   9.285   2.310  -4.656
  434   1HG   GLU  53           HG2      GLU  53  10.001   5.121  -4.229
  435   2HG   GLU  53           HG3      GLU  53  11.190   4.151  -5.091
  436    H    VAL  54           H        VAL  54   6.621   3.586  -1.625
  437    HA   VAL  54           HA       VAL  54   5.757   0.868  -1.936
  438    HB   VAL  54           HB       VAL  54   4.081   3.136  -0.891
  439   1HG1  VAL  54          3HG1      VAL  54   4.074   0.159  -0.427
  440   2HG1  VAL  54          2HG1      VAL  54   3.035   1.313   0.406
  441   3HG1  VAL  54          1HG1      VAL  54   2.884   1.092  -1.336
  442   1HG2  VAL  54          3HG2      VAL  54   6.308   1.640   0.429
  443   2HG2  VAL  54          2HG2      VAL  54   5.938   3.362   0.471
  444   3HG2  VAL  54          1HG2      VAL  54   4.941   2.225   1.377
  445    H    VAL  55           H        VAL  55   5.571   0.684  -4.213
  446    HA   VAL  55           HA       VAL  55   3.629   2.302  -5.596
  447    HB   VAL  55           HB       VAL  55   4.925  -0.251  -6.535
  448   1HG1  VAL  55          1HG1      VAL  55   2.873   0.479  -7.720
  449   2HG1  VAL  55          3HG1      VAL  55   3.679   1.999  -8.106
  450   3HG1  VAL  55          2HG1      VAL  55   4.309   0.480  -8.747
  451   1HG2  VAL  55          2HG2      VAL  55   6.635   1.394  -5.963
  452   2HG2  VAL  55          1HG2      VAL  55   6.533   1.186  -7.712
  453   3HG2  VAL  55          3HG2      VAL  55   5.814   2.604  -6.948
  454    H    CYS  56           H        CYS  56   1.842   1.923  -4.302
  455    HA   CYS  56           HA       CYS  56   0.748  -0.787  -4.241
  456   1HB   CYS  56           HB2      CYS  56   0.791   0.303  -2.093
  457   2HB   CYS  56           HB3      CYS  56  -0.024   1.721  -2.746
  458    HG   CYS  56           HG       CYS  56  -2.022  -0.697  -3.410
  459    H    LYS  57           H        LYS  57  -1.129  -1.350  -5.180
  460    HA   LYS  57           HA       LYS  57  -2.628   0.709  -6.629
  461   1HB   LYS  57           HB2      LYS  57  -2.126  -2.005  -7.807
  462   2HB   LYS  57           HB3      LYS  57  -2.725  -0.563  -8.608
  463   1HG   LYS  57           HG2      LYS  57  -0.531   0.483  -8.382
  464   2HG   LYS  57           HG3      LYS  57   0.076  -0.968  -7.580
  465   1HD   LYS  57           HD2      LYS  57  -0.433  -2.275  -9.603
  466   2HD   LYS  57           HD3      LYS  57  -0.981  -0.799 -10.402
  467   1HE   LYS  57           HE2      LYS  57   1.295  -1.332 -11.066
  468   2HE   LYS  57           HE3      LYS  57   1.254   0.167 -10.138
  469   1HZ   LYS  57           HZ1      LYS  57   1.972  -1.064  -8.186
  470   2HZ   LYS  57           HZ3      LYS  57   2.014  -2.501  -9.078
  471   3HZ   LYS  57           HZ2      LYS  57   3.084  -1.245  -9.448
  472    H    TYR  58           H        TYR  58  -4.530   0.719  -5.691
  473    HA   TYR  58           HA       TYR  58  -5.659  -1.595  -4.421
  474   1HB   TYR  58           HB2      TYR  58  -5.978   0.792  -3.628
  475   2HB   TYR  58           HB3      TYR  58  -7.024   1.043  -5.022
  476    HD1  TYR  58           HD1      TYR  58  -7.300   0.894  -1.742
  477    HD2  TYR  58           HD2      TYR  58  -8.632  -1.398  -5.090
  478    HE1  TYR  58           HE1      TYR  58  -9.241   0.095  -0.449
  479    HE2  TYR  58           HE2      TYR  58 -10.547  -2.213  -3.798
  480    HH   TYR  58           HH       TYR  58 -11.488  -0.810  -0.848
  481    H    THR  59           H        THR  59  -6.203  -3.189  -5.803
  482    HA   THR  59           HA       THR  59  -7.607  -2.522  -8.285
  483    HB   THR  59           HB       THR  59  -6.590  -5.225  -7.396
  484    HG1  THR  59           HG1      THR  59  -4.753  -4.083  -7.663
  485   1HG2  THR  59          3HG2      THR  59  -7.388  -4.161 -10.110
  486   2HG2  THR  59          2HG2      THR  59  -6.729  -5.765  -9.788
  487   3HG2  THR  59          1HG2      THR  59  -8.304  -5.311  -9.135
  488    HA   PRO  60           HA       PRO  60 -11.292  -4.139  -6.262
  489   1HB   PRO  60           HB2      PRO  60 -12.965  -2.285  -7.187
  490   2HB   PRO  60           HB3      PRO  60 -11.770  -1.877  -5.956
  491   1HG   PRO  60           HG2      PRO  60 -11.838  -1.160  -8.821
  492   2HG   PRO  60           HG3      PRO  60 -11.031  -0.340  -7.476
  493   1HD   PRO  60           HD2      PRO  60  -9.916  -2.199  -9.374
  494   2HD   PRO  60           HD3      PRO  60  -9.092  -1.300  -8.086
  495    H    THR  61           H        THR  61 -11.437  -6.078  -7.468
  496    HA   THR  61           HA       THR  61 -12.116  -6.068 -10.252
  497    HB   THR  61           HB       THR  61 -12.636  -8.563  -8.793
  498    HG1  THR  61           HG1      THR  61 -10.542  -8.877  -8.119
  499   1HG2  THR  61          2HG2      THR  61 -10.811  -7.810 -11.078
  500   2HG2  THR  61          1HG2      THR  61 -11.127  -9.455 -10.529
  501   3HG2  THR  61          3HG2      THR  61 -12.434  -8.488 -11.214
  502    HA   PRO  62           HA       PRO  62 -16.522  -5.715  -9.891
  503   1HB   PRO  62           HB2      PRO  62 -16.688  -7.287 -12.374
  504   2HB   PRO  62           HB3      PRO  62 -17.196  -5.626 -12.064
  505   1HG   PRO  62           HG2      PRO  62 -15.053  -6.183 -13.580
  506   2HG   PRO  62           HG3      PRO  62 -15.106  -4.761 -12.523
  507   1HD   PRO  62           HD2      PRO  62 -13.743  -7.394 -12.089
  508   2HD   PRO  62           HD3      PRO  62 -13.165  -5.752 -11.737
  509    H    SER  63           H        SER  63 -18.511  -7.224 -10.338
  510    HA   SER  63           HA       SER  63 -18.078  -9.599  -8.738
  511   1HB   SER  63           HB2      SER  63 -20.031  -8.061  -8.379
  512   2HB   SER  63           HB3      SER  63 -20.667  -8.589  -9.938
  513    HG   SER  63           HG       SER  63 -20.074 -10.329  -7.777
  514    H    SER  64           H        SER  64 -19.719 -11.486  -9.538
  515    HA   SER  64           HA       SER  64 -18.494 -12.464 -11.958
  516   1HB   SER  64           HB2      SER  64 -18.838 -13.979 -10.063
  517   2HB   SER  64           HB3      SER  64 -20.580 -13.722 -10.159
  518    HG   SER  64           HG       SER  64 -19.762 -14.446 -12.562
  519    H    THR  65           H        THR  65 -21.909 -12.282 -10.938
  520    HA   THR  65           HA       THR  65 -22.651 -11.986 -13.755
  521    HB   THR  65           HB       THR  65 -24.415 -12.729 -11.422
  522    HG1  THR  65           HG1      THR  65 -22.882 -14.360 -12.027
  523   1HG2  THR  65          2HG2      THR  65 -24.963 -12.712 -14.392
  524   2HG2  THR  65          1HG2      THR  65 -26.054 -13.330 -13.153
  525   3HG2  THR  65          3HG2      THR  65 -25.657 -11.613 -13.201
  526    HA   PRO  66           HA       PRO  66 -25.088  -8.432 -11.523
  527   1HB   PRO  66           HB2      PRO  66 -23.630  -8.058  -9.000
  528   2HB   PRO  66           HB3      PRO  66 -25.367  -8.217  -9.277
  529   1HG   PRO  66           HG2      PRO  66 -23.945 -10.164  -8.090
  530   2HG   PRO  66           HG3      PRO  66 -25.308 -10.524  -9.166
  531   1HD   PRO  66           HD2      PRO  66 -22.366 -10.594  -9.752
  532   2HD   PRO  66           HD3      PRO  66 -23.623 -11.766 -10.203
  533    H    MET  67           H        MET  67 -24.019  -6.264 -10.104
  534    HA   MET  67           HA       MET  67 -21.411  -5.642 -11.193
  535   1HB   MET  67           HB2      MET  67 -22.199  -3.643 -12.420
  536   2HB   MET  67           HB3      MET  67 -22.800  -5.140 -13.119
  537   1HG   MET  67           HG2      MET  67 -24.952  -4.795 -12.025
  538   2HG   MET  67           HG3      MET  67 -24.350  -3.298 -11.314
  539   1HE   MET  67           HE3      MET  67 -26.454  -2.002 -12.300
  540   2HE   MET  67           HE2      MET  67 -26.914  -2.036 -14.002
  541   3HE   MET  67           HE1      MET  67 -27.048  -3.497 -13.023
  542    H    VAL  68           H        VAL  68 -23.117  -5.751  -8.660
  543    HA   VAL  68           HA       VAL  68 -22.506  -3.043  -7.676
  544    HB   VAL  68           HB       VAL  68 -24.634  -4.993  -6.799
  545   1HG1  VAL  68          1HG1      VAL  68 -23.819  -2.381  -5.523
  546   2HG1  VAL  68          3HG1      VAL  68 -25.269  -3.297  -5.118
  547   3HG1  VAL  68          2HG1      VAL  68 -23.676  -3.988  -4.811
  548   1HG2  VAL  68          2HG2      VAL  68 -24.790  -2.198  -7.921
  549   2HG2  VAL  68          1HG2      VAL  68 -25.198  -3.689  -8.769
  550   3HG2  VAL  68          3HG2      VAL  68 -26.163  -3.166  -7.388
  551    H    GLY  69           H        GLY  69 -20.807  -2.960  -6.369
  552   1HA   GLY  69           HA3      GLY  69 -20.103  -5.377  -4.826
  553   2HA   GLY  69           HA2      GLY  69 -20.095  -3.784  -4.086
  554    H    VAL  70           H        VAL  70 -18.727  -5.487  -6.894
  555    HA   VAL  70           HA       VAL  70 -16.626  -5.561  -7.747
  556    HB   VAL  70           HB       VAL  70 -16.707  -2.644  -6.992
  557   1HG1  VAL  70          1HG1      VAL  70 -14.860  -4.090  -8.891
  558   2HG1  VAL  70          3HG1      VAL  70 -14.946  -2.343  -8.681
  559   3HG1  VAL  70          2HG1      VAL  70 -14.407  -3.364  -7.349
  560   1HG2  VAL  70          1HG2      VAL  70 -17.347  -4.051  -9.579
  561   2HG2  VAL  70          3HG2      VAL  70 -18.503  -3.282  -8.491
  562   3HG2  VAL  70          2HG2      VAL  70 -17.312  -2.303  -9.347
  563    H    GLY  71           H        GLY  71 -15.684  -6.945  -6.242
  564   1HA   GLY  71           HA3      GLY  71 -14.733  -7.225  -3.984
  565   2HA   GLY  71           HA2      GLY  71 -14.053  -5.615  -4.166
  566    H    GLY  72           H        GLY  72 -11.910  -5.892  -4.179
  567   1HA   GLY  72           HA3      GLY  72 -10.224  -6.414  -6.047
  568   2HA   GLY  72           HA2      GLY  72 -10.783  -8.062  -5.824
  569    H    ILE  73           H        ILE  73  -8.240  -6.253  -5.220
  570    HA   ILE  73           HA       ILE  73  -7.840  -7.044  -2.446
  571    HB   ILE  73           HB       ILE  73  -5.626  -7.989  -2.941
  572   1HG1  ILE  73          2HG1      ILE  73  -6.379  -8.358  -5.798
  573   2HG1  ILE  73          3HG1      ILE  73  -5.637  -6.840  -5.294
  574   1HG2  ILE  73          1HG2      ILE  73  -7.629  -9.404  -2.612
  575   2HG2  ILE  73          3HG2      ILE  73  -7.778  -9.510  -4.367
  576   3HG2  ILE  73          2HG2      ILE  73  -6.346 -10.156  -3.560
  577   1HD1  ILE  73          2HD1      ILE  73  -3.751  -8.114  -4.349
  578   2HD1  ILE  73          1HD1      ILE  73  -4.481  -9.597  -4.965
  579   3HD1  ILE  73          3HD1      ILE  73  -3.941  -8.350  -6.089
  580    H    TYR  74           H        TYR  74  -5.148  -6.523  -2.270
  581    HA   TYR  74           HA       TYR  74  -4.829  -3.762  -3.200
  582   1HB   TYR  74           HB2      TYR  74  -4.020  -4.526  -0.412
  583   2HB   TYR  74           HB3      TYR  74  -4.391  -2.931  -1.064
  584    HD1  TYR  74           HD1      TYR  74  -5.875  -6.101   0.129
  585    HD2  TYR  74           HD2      TYR  74  -6.632  -2.086  -1.053
  586    HE1  TYR  74           HE1      TYR  74  -8.156  -6.281   1.007
  587    HE2  TYR  74           HE2      TYR  74  -8.920  -2.265  -0.167
  588    HH   TYR  74           HH       TYR  74 -10.574  -4.016   0.325
  589    H    VAL  75           H        VAL  75  -3.173  -4.120  -4.600
  590    HA   VAL  75           HA       VAL  75  -0.976  -5.878  -3.884
  591    HB   VAL  75           HB       VAL  75  -1.490  -4.252  -6.379
  592   1HG1  VAL  75          1HG1      VAL  75   0.731  -6.205  -5.782
  593   2HG1  VAL  75          3HG1      VAL  75   0.380  -5.519  -7.368
  594   3HG1  VAL  75          2HG1      VAL  75   0.901  -4.471  -6.050
  595   1HG2  VAL  75          1HG2      VAL  75  -3.008  -6.141  -6.066
  596   2HG2  VAL  75          3HG2      VAL  75  -1.910  -6.421  -7.417
  597   3HG2  VAL  75          2HG2      VAL  75  -1.628  -7.222  -5.871
  598    H    VAL  76           H        VAL  76   0.384  -5.031  -2.439
  599    HA   VAL  76           HA       VAL  76   1.258  -2.246  -2.800
  600    HB   VAL  76           HB       VAL  76   1.598  -3.981  -0.356
  601   1HG1  VAL  76          2HG1      VAL  76   2.024  -1.035  -0.837
  602   2HG1  VAL  76          1HG1      VAL  76   2.054  -1.806   0.750
  603   3HG1  VAL  76          3HG1      VAL  76   3.255  -2.242  -0.465
  604   1HG2  VAL  76          1HG2      VAL  76  -0.769  -3.564  -0.808
  605   2HG2  VAL  76          3HG2      VAL  76  -0.228  -2.695   0.626
  606   3HG2  VAL  76          2HG2      VAL  76  -0.450  -1.832  -0.895
  607    H    LEU  77           H        LEU  77   3.181  -1.915  -3.689
  608    HA   LEU  77           HA       LEU  77   5.255  -3.988  -3.419
  609   1HB   LEU  77           HB2      LEU  77   4.878  -1.846  -5.511
  610   2HB   LEU  77           HB3      LEU  77   6.318  -2.839  -5.391
  611    HG   LEU  77           HG       LEU  77   3.512  -3.826  -5.955
  612   1HD1  LEU  77          2HD1      LEU  77   4.496  -2.632  -7.835
  613   2HD1  LEU  77          1HD1      LEU  77   5.943  -3.636  -7.727
  614   3HD1  LEU  77          3HD1      LEU  77   4.397  -4.361  -8.169
  615   1HD2  LEU  77          1HD2      LEU  77   5.184  -5.310  -4.627
  616   2HD2  LEU  77          3HD2      LEU  77   4.302  -5.990  -5.996
  617   3HD2  LEU  77          2HD2      LEU  77   5.980  -5.487  -6.192
  618    H    VAL  78           H        VAL  78   6.373  -3.430  -1.625
  619    HA   VAL  78           HA       VAL  78   7.046  -0.612  -1.228
  620    HB   VAL  78           HB       VAL  78   8.120  -2.306   0.820
  621   1HG1  VAL  78          3HG1      VAL  78   7.603   0.068   1.078
  622   2HG1  VAL  78          2HG1      VAL  78   5.885  -0.264   0.829
  623   3HG1  VAL  78          1HG1      VAL  78   6.712  -0.893   2.257
  624   1HG2  VAL  78          2HG2      VAL  78   6.405  -3.905   0.133
  625   2HG2  VAL  78          1HG2      VAL  78   6.059  -3.232   1.724
  626   3HG2  VAL  78          3HG2      VAL  78   5.171  -2.658   0.312
  627    H    LYS  79           H        LYS  79   8.780   0.023  -2.303
  628    HA   LYS  79           HA       LYS  79  11.118  -1.755  -2.424
  629   1HB   LYS  79           HB2      LYS  79  10.015   0.302  -4.279
  630   2HB   LYS  79           HB3      LYS  79  11.755   0.044  -4.259
  631   1HG   LYS  79           HG2      LYS  79  11.394  -2.336  -4.725
  632   2HG   LYS  79           HG3      LYS  79   9.645  -2.043  -4.808
  633   1HD   LYS  79           HD2      LYS  79  11.690  -0.680  -6.563
  634   2HD   LYS  79           HD3      LYS  79  10.777  -2.115  -7.032
  635   1HE   LYS  79           HE2      LYS  79   9.602   0.560  -6.287
  636   2HE   LYS  79           HE3      LYS  79   9.762  -0.076  -7.923
  637   1HZ   LYS  79           HZ3      LYS  79   8.293  -1.904  -7.305
  638   2HZ   LYS  79           HZ2      LYS  79   8.121  -1.261  -5.749
  639   3HZ   LYS  79           HZ1      LYS  79   7.533  -0.408  -7.086
  640    HA   PRO  80           HA       PRO  80  12.684   1.136   0.727
  641   1HB   PRO  80           HB2      PRO  80  15.079  -0.552   0.205
  642   2HB   PRO  80           HB3      PRO  80  14.349  -0.077   1.741
  643   1HG   PRO  80           HG2      PRO  80  14.038  -2.544   0.770
  644   2HG   PRO  80           HG3      PRO  80  12.733  -1.719   1.639
  645   1HD   PRO  80           HD2      PRO  80  13.041  -2.237  -1.279
  646   2HD   PRO  80           HD3      PRO  80  11.569  -2.149  -0.291
  647    H    ARG  81           H        ARG  81  12.863   3.042  -0.408
  648    HA   ARG  81           HA       ARG  81  14.638   3.402  -2.607
  649   1HB   ARG  81           HB2      ARG  81  12.684   4.980  -1.171
  650   2HB   ARG  81           HB3      ARG  81  14.127   5.922  -1.513
  651   1HG   ARG  81           HG2      ARG  81  13.925   5.439  -3.872
  652   2HG   ARG  81           HG3      ARG  81  12.530   4.401  -3.559
  653   1HD   ARG  81           HD2      ARG  81  11.262   6.281  -2.737
  654   2HD   ARG  81           HD3      ARG  81  12.663   7.341  -2.908
  655    HE   ARG  81           HE       ARG  81  11.869   6.067  -5.360
  656   1HH1  ARG  81          1HH1      ARG  81  11.368   8.800  -3.258
  657   2HH1  ARG  81          2HH1      ARG  81  10.750   9.817  -4.516
  658   1HH2  ARG  81          1HH2      ARG  81  11.059   7.400  -7.022
  659   2HH2  ARG  81          2HH2      ARG  81  10.574   9.022  -6.655
  660    H    LYS  82           H        LYS  82  14.817   3.999   0.847
  661    HA   LYS  82           HA       LYS  82  17.649   4.752   0.533
  662   1HB   LYS  82           HB2      LYS  82  15.825   5.609   2.784
  663   2HB   LYS  82           HB3      LYS  82  17.456   6.178   2.465
  664   1HG   LYS  82           HG2      LYS  82  16.659   7.193   0.363
  665   2HG   LYS  82           HG3      LYS  82  15.019   6.680   0.770
  666   1HD   LYS  82           HD2      LYS  82  15.112   8.023   2.818
  667   2HD   LYS  82           HD3      LYS  82  16.742   8.549   2.393
  668   1HE   LYS  82           HE2      LYS  82  14.251   9.055   0.768
  669   2HE   LYS  82           HE3      LYS  82  15.056  10.231   1.806
  670   1HZ   LYS  82           HZ3      LYS  82  17.021  10.062   0.409
  671   2HZ   LYS  82           HZ2      LYS  82  16.246   8.936  -0.588
  672   3HZ   LYS  82           HZ1      LYS  82  15.676  10.526  -0.507
  673    H    ARG  83           H        ARG  83  18.864   4.382   2.694
  674    HA   ARG  83           HA       ARG  83  18.155   1.694   3.665
  675   1HB   ARG  83           HB2      ARG  83  20.872   2.949   3.913
  676   2HB   ARG  83           HB3      ARG  83  20.443   1.245   3.940
  677   1HG   ARG  83           HG2      ARG  83  20.277   1.104   1.657
  678   2HG   ARG  83           HG3      ARG  83  19.932   2.824   1.468
  679   1HD   ARG  83           HD2      ARG  83  22.584   1.582   2.168
  680   2HD   ARG  83           HD3      ARG  83  22.144   2.346   0.642
  681    HE   ARG  83           HE       ARG  83  21.767   4.202   2.698
  682   1HH1  ARG  83          1HH1      ARG  83  24.357   2.509   1.094
  683   2HH1  ARG  83          2HH1      ARG  83  25.521   3.760   1.376
  684   1HH2  ARG  83          1HH2      ARG  83  23.294   5.853   3.073
  685   2HH2  ARG  83          2HH2      ARG  83  24.918   5.660   2.501
  686    H    GLY  84           H        GLY  84  17.936   1.317   5.827
  687   1HA   GLY  84           HA3      GLY  84  17.999   3.692   7.555
  688   2HA   GLY  84           HA2      GLY  84  18.895   2.266   8.053
  689    H    HIS  85           H        HIS  85  16.085   3.893   8.480
  690    HA   HIS  85           HA       HIS  85  14.707   1.454   9.385
  691   1HB   HIS  85           HB2      HIS  85  14.462   4.285  10.422
  692   2HB   HIS  85           HB3      HIS  85  13.574   2.894  11.035
  693    HD1  HIS  85           HD1      HIS  85  16.745   4.696  11.374
  694    HD2  HIS  85           HD2      HIS  85  15.253   0.947  12.364
  695    HE1  HIS  85           HE1      HIS  85  18.363   3.751  13.052
  696    HE2  HIS  85           HE2      HIS  85  17.483   1.449  13.576
  697    H    HIS  86           H        HIS  86  13.379   0.920   7.739
  698    HA   HIS  86           HA       HIS  86  11.470   2.973   6.823
  699   1HB   HIS  86           HB2      HIS  86  12.572   0.596   5.309
  700   2HB   HIS  86           HB3      HIS  86  11.275   1.632   4.730
  701    HD1  HIS  86           HD1      HIS  86  12.277   2.869   2.845
  702    HD2  HIS  86           HD2      HIS  86  14.772   2.810   6.166
  703    HE1  HIS  86           HE1      HIS  86  14.220   4.347   2.252
  704    HE2  HIS  86           HE2      HIS  86  15.676   4.362   4.308
  705    H    THR  87           H        THR  87   9.299   2.202   6.340
  706    HA   THR  87           HA       THR  87   8.540  -0.439   7.197
  707    HB   THR  87           HB       THR  87   7.564   1.918   8.817
  708    HG1  THR  87           HG1      THR  87   9.203   1.470  10.067
  709   1HG2  THR  87          3HG2      THR  87   5.889   0.135   8.457
  710   2HG2  THR  87          2HG2      THR  87   7.021  -1.034   9.137
  711   3HG2  THR  87          1HG2      THR  87   6.388   0.267  10.144
  712    H    LEU  88           H        LEU  88   6.453  -1.015   6.611
  713    HA   LEU  88           HA       LEU  88   5.129   0.860   4.779
  714   1HB   LEU  88           HB2      LEU  88   5.767  -1.174   3.696
  715   2HB   LEU  88           HB3      LEU  88   5.075  -2.141   4.978
  716    HG   LEU  88           HG       LEU  88   2.817  -1.214   4.307
  717   1HD1  LEU  88          3HD1      LEU  88   3.675   0.728   3.066
  718   2HD1  LEU  88          2HD1      LEU  88   4.333  -0.365   1.849
  719   3HD1  LEU  88          1HD1      LEU  88   2.591  -0.270   2.097
  720   1HD2  LEU  88          2HD2      LEU  88   4.394  -2.903   2.380
  721   2HD2  LEU  88          1HD2      LEU  88   3.412  -3.459   3.734
  722   3HD2  LEU  88          3HD2      LEU  88   2.642  -2.716   2.332
  723    H    GLU  89           H        GLU  89   3.936   2.003   6.302
  724    HA   GLU  89           HA       GLU  89   2.311   0.733   8.252
  725   1HB   GLU  89           HB2      GLU  89   2.396   3.538   7.164
  726   2HB   GLU  89           HB3      GLU  89   1.290   3.039   8.437
  727   1HG   GLU  89           HG2      GLU  89   3.127   2.436   9.853
  728   2HG   GLU  89           HG3      GLU  89   4.282   2.821   8.579
  729    H    LEU  90           H        LEU  90   0.908  -0.724   7.329
  730    HA   LEU  90           HA       LEU  90  -1.094   0.411   5.490
  731   1HB   LEU  90           HB2      LEU  90  -0.164  -2.423   5.888
  732   2HB   LEU  90           HB3      LEU  90  -1.668  -2.049   5.076
  733    HG   LEU  90           HG       LEU  90   1.095  -1.220   4.187
  734   1HD1  LEU  90          2HD1      LEU  90  -0.893  -3.186   3.065
  735   2HD1  LEU  90          1HD1      LEU  90   0.592  -2.681   2.260
  736   3HD1  LEU  90          3HD1      LEU  90   0.671  -3.559   3.787
  737   1HD2  LEU  90          2HD2      LEU  90  -1.601  -0.659   2.957
  738   2HD2  LEU  90          1HD2      LEU  90  -0.484   0.526   3.637
  739   3HD2  LEU  90          3HD2      LEU  90  -0.047  -0.362   2.177
  740    H    VAL  91           H        VAL  91  -3.183   0.487   6.085
  741    HA   VAL  91           HA       VAL  91  -3.997  -0.909   8.531
  742    HB   VAL  91           HB       VAL  91  -3.300   1.305   9.252
  743   1HG1  VAL  91          3HG1      VAL  91  -5.244   2.323   7.182
  744   2HG1  VAL  91          2HG1      VAL  91  -4.476   3.321   8.418
  745   3HG1  VAL  91          1HG1      VAL  91  -3.490   2.528   7.190
  746   1HG2  VAL  91          2HG2      VAL  91  -6.292   0.942   9.229
  747   2HG2  VAL  91          1HG2      VAL  91  -5.154   0.378  10.453
  748   3HG2  VAL  91          3HG2      VAL  91  -5.437   2.106  10.241
  749    H    TYR  92           H        TYR  92  -6.255  -1.160   8.783
  750    HA   TYR  92           HA       TYR  92  -7.766  -1.051   6.274
  751   1HB   TYR  92           HB2      TYR  92  -7.526  -3.179   7.712
  752   2HB   TYR  92           HB3      TYR  92  -8.639  -2.399   8.828
  753    HD1  TYR  92           HD1      TYR  92 -10.606  -3.624   8.698
  754    HD2  TYR  92           HD2      TYR  92  -8.663  -2.457   5.097
  755    HE1  TYR  92           HE1      TYR  92 -12.505  -4.489   7.399
  756    HE2  TYR  92           HE2      TYR  92 -10.559  -3.317   3.788
  757    HH   TYR  92           HH       TYR  92 -12.381  -4.949   4.041
  758    H    THR  93           H        THR  93  -8.191   1.194   6.331
  759    HA   THR  93           HA       THR  93  -9.963   2.112   8.509
  760    HB   THR  93           HB       THR  93  -7.910   3.340   8.511
  761    HG1  THR  93           HG1      THR  93  -9.994   4.513   8.660
  762   1HG2  THR  93          3HG2      THR  93  -8.369   3.396   5.570
  763   2HG2  THR  93          2HG2      THR  93  -7.532   4.762   6.314
  764   3HG2  THR  93          1HG2      THR  93  -6.878   3.131   6.477
  765    H    ARG  94           H        ARG  94 -11.441   3.915   7.877
  766    HA   ARG  94           HA       ARG  94 -12.699   3.325   5.294
  767   1HB   ARG  94           HB2      ARG  94 -13.712   4.600   7.830
  768   2HB   ARG  94           HB3      ARG  94 -14.599   4.726   6.319
  769   1HG   ARG  94           HG2      ARG  94 -14.749   2.286   6.209
  770   2HG   ARG  94           HG3      ARG  94 -13.872   2.173   7.735
  771   1HD   ARG  94           HD2      ARG  94 -16.278   1.948   8.080
  772   2HD   ARG  94           HD3      ARG  94 -15.648   3.394   8.866
  773    HE   ARG  94           HE       ARG  94 -16.597   4.004   6.269
  774   1HH1  ARG  94          1HH1      ARG  94 -17.695   3.253   9.490
  775   2HH1  ARG  94          2HH1      ARG  94 -19.187   4.115   9.321
  776   1HH2  ARG  94          1HH2      ARG  94 -18.560   5.142   6.038
  777   2HH2  ARG  94          2HH2      ARG  94 -19.679   5.189   7.358
  778    HA   PRO  95           HA       PRO  95 -10.362   7.089   4.022
  779   1HB   PRO  95           HB2      PRO  95 -12.084   6.350   1.680
  780   2HB   PRO  95           HB3      PRO  95 -10.414   6.926   1.706
  781   1HG   PRO  95           HG2      PRO  95 -10.928   4.339   1.377
  782   2HG   PRO  95           HG3      PRO  95  -9.579   4.864   2.398
  783   1HD   PRO  95           HD2      PRO  95 -12.214   3.739   3.179
  784   2HD   PRO  95           HD3      PRO  95 -10.645   3.626   3.996
  785    H    PHE  96           H        PHE  96 -13.785   6.411   4.006
  786    HA   PHE  96           HA       PHE  96 -14.576   9.095   3.356
  787   1HB   PHE  96           HB2      PHE  96 -16.023   7.288   2.702
  788   2HB   PHE  96           HB3      PHE  96 -16.131   6.710   4.361
  789    HD1  PHE  96           HD1      PHE  96 -17.703   7.597   5.867
  790    HD2  PHE  96           HD2      PHE  96 -17.091   9.454   2.088
  791    HE1  PHE  96           HE1      PHE  96 -19.709   8.977   6.227
  792    HE2  PHE  96           HE2      PHE  96 -19.095  10.839   2.440
  793    HZ   PHE  96           HZ       PHE  96 -20.407  10.602   4.512
  794    H    GLU  97           H        GLU  97 -15.094   7.123   6.297
  795    HA   GLU  97           HA       GLU  97 -15.841   9.395   7.856
  796   1HB   GLU  97           HB2      GLU  97 -16.243   7.900   9.594
  797   2HB   GLU  97           HB3      GLU  97 -16.489   6.902   8.168
  798   1HG   GLU  97           HG2      GLU  97 -15.241   5.517   9.484
  799   2HG   GLU  97           HG3      GLU  97 -13.990   6.281   8.504
  800    H    GLY  98           H        GLY  98 -12.893   7.515   7.509
  801   1HA   GLY  98           HA3      GLY  98 -11.534   9.301   9.414
  802   2HA   GLY  98           HA2      GLY  98 -10.859   9.052   7.807
  803    H    ILE  99           H        ILE  99  -9.370   8.460  10.029
  804    HA   ILE  99           HA       ILE  99  -9.304   5.526   9.887
  805    HB   ILE  99           HB       ILE  99  -6.928   7.207  10.577
  806   1HG1  ILE  99          2HG1      ILE  99  -7.715   6.359   7.784
  807   2HG1  ILE  99          3HG1      ILE  99  -7.946   7.988   8.407
  808   1HG2  ILE  99          1HG2      ILE  99  -7.518   4.398   9.966
  809   2HG2  ILE  99          3HG2      ILE  99  -6.093   5.042   9.145
  810   3HG2  ILE  99          2HG2      ILE  99  -6.198   5.101  10.906
  811   1HD1  ILE  99          3HD1      ILE  99  -5.530   8.202   8.720
  812   2HD1  ILE  99          2HD1      ILE  99  -5.306   6.574   8.079
  813   3HD1  ILE  99          1HD1      ILE  99  -5.946   7.849   7.043
  814    H    LYS 100           H        LYS 100  -9.350   4.354  11.683
  815    HA   LYS 100           HA       LYS 100  -9.200   5.763  14.266
  816   1HB   LYS 100           HB2      LYS 100 -10.798   3.259  13.983
  817   2HB   LYS 100           HB3      LYS 100 -11.038   4.622  15.066
  818   1HG   LYS 100           HG2      LYS 100 -11.865   5.972  13.222
  819   2HG   LYS 100           HG3      LYS 100 -11.605   4.624  12.112
  820   1HD   LYS 100           HD2      LYS 100 -13.532   3.663  12.694
  821   2HD   LYS 100           HD3      LYS 100 -13.173   3.831  14.416
  822   1HE   LYS 100           HE2      LYS 100 -13.877   6.214  14.255
  823   2HE   LYS 100           HE3      LYS 100 -14.395   5.903  12.597
  824   1HZ   LYS 100           HZ2      LYS 100 -15.450   4.545  15.020
  825   2HZ   LYS 100           HZ1      LYS 100 -16.244   5.749  14.138
  826   3HZ   LYS 100           HZ3      LYS 100 -15.941   4.243  13.431
  827    HA   PRO 101           HA       PRO 101  -6.069   2.928  15.535
  828   1HB   PRO 101           HB2      PRO 101  -7.298   2.724  18.193
  829   2HB   PRO 101           HB3      PRO 101  -5.752   3.435  17.725
  830   1HG   PRO 101           HG2      PRO 101  -7.828   4.949  18.517
  831   2HG   PRO 101           HG3      PRO 101  -6.684   5.498  17.277
  832   1HD   PRO 101           HD2      PRO 101  -9.434   4.345  16.946
  833   2HD   PRO 101           HD3      PRO 101  -8.677   5.717  16.106
  834    H    GLU 102           H        GLU 102  -9.247   2.037  16.869
  835    HA   GLU 102           HA       GLU 102  -8.772  -0.631  17.386
  836   1HB   GLU 102           HB2      GLU 102 -11.238  -0.931  17.113
  837   2HB   GLU 102           HB3      GLU 102 -10.769   0.386  18.182
  838   1HG   GLU 102           HG2      GLU 102 -11.133   1.976  16.382
  839   2HG   GLU 102           HG3      GLU 102 -11.607   0.659  15.315
  840    H    ASN 103           H        ASN 103  -8.974   0.898  14.348
  841    HA   ASN 103           HA       ASN 103  -9.965  -1.210  12.764
  842   1HB   ASN 103           HB2      ASN 103  -8.047   1.003  12.018
  843   2HB   ASN 103           HB3      ASN 103  -8.917  -0.019  10.879
  844   1HD2  ASN 103          1HD2      ASN 103 -11.290  -0.020  12.684
  845   2HD2  ASN 103          2HD2      ASN 103 -12.044   1.511  12.424
  846    H    GLU 104           H        GLU 104  -8.785  -2.581  11.271
  847    HA   GLU 104           HA       GLU 104  -6.826  -4.124  12.478
  848   1HB   GLU 104           HB2      GLU 104  -8.202  -4.018   9.941
  849   2HB   GLU 104           HB3      GLU 104  -6.531  -4.507   9.738
  850   1HG   GLU 104           HG2      GLU 104  -7.688  -6.501  10.039
  851   2HG   GLU 104           HG3      GLU 104  -6.971  -6.171  11.612
  852    H    ARG 105           H        ARG 105  -4.630  -4.524  11.757
  853    HA   ARG 105           HA       ARG 105  -3.277  -2.117  10.730
  854   1HB   ARG 105           HB2      ARG 105  -3.093  -2.315  13.218
  855   2HB   ARG 105           HB3      ARG 105  -2.297  -3.862  12.997
  856   1HG   ARG 105           HG2      ARG 105  -0.465  -2.541  13.257
  857   2HG   ARG 105           HG3      ARG 105  -0.672  -2.415  11.506
  858   1HD   ARG 105           HD2      ARG 105  -0.313  -0.223  12.526
  859   2HD   ARG 105           HD3      ARG 105  -1.901  -0.344  11.764
  860    HE   ARG 105           HE       ARG 105  -2.270  -1.059  14.396
  861   1HH1  ARG 105          1HH1      ARG 105  -1.136   1.750  12.672
  862   2HH1  ARG 105          2HH1      ARG 105  -1.682   2.869  13.875
  863   1HH2  ARG 105          1HH2      ARG 105  -2.992   0.409  15.986
  864   2HH2  ARG 105          2HH2      ARG 105  -2.736   2.107  15.760
  865    H    TYR 106           H        TYR 106  -1.091  -2.552   9.924
  866    HA   TYR 106           HA       TYR 106  -0.036  -5.123   9.546
  867   1HB   TYR 106           HB2      TYR 106  -1.967  -5.329   7.994
  868   2HB   TYR 106           HB3      TYR 106  -1.332  -3.968   7.066
  869    HD1  TYR 106           HD1      TYR 106  -0.799  -7.471   8.033
  870    HD2  TYR 106           HD2      TYR 106   0.526  -4.274   5.562
  871    HE1  TYR 106           HE1      TYR 106   0.549  -9.050   6.727
  872    HE2  TYR 106           HE2      TYR 106   1.882  -5.846   4.246
  873    HH   TYR 106           HH       TYR 106   1.539  -9.215   4.483
  874    H    THR 107           H        THR 107   1.498  -3.595  10.486
  875    HA   THR 107           HA       THR 107   2.722  -1.733   8.596
  876    HB   THR 107           HB       THR 107   3.899  -1.978  11.285
  877    HG1  THR 107           HG1      THR 107   1.653  -0.503  11.519
  878   1HG2  THR 107          2HG2      THR 107   4.260  -0.190   9.456
  879   2HG2  THR 107          1HG2      THR 107   2.724   0.470  10.011
  880   3HG2  THR 107          3HG2      THR 107   4.083   0.343  11.128
  881    H    LEU 108           H        LEU 108   3.915  -3.001   7.208
  882    HA   LEU 108           HA       LEU 108   5.614  -5.104   8.161
  883   1HB   LEU 108           HB2      LEU 108   4.707  -5.346   5.972
  884   2HB   LEU 108           HB3      LEU 108   5.299  -3.777   5.478
  885    HG   LEU 108           HG       LEU 108   7.581  -4.572   5.475
  886   1HD1  LEU 108          2HD1      LEU 108   6.450  -7.191   6.447
  887   2HD1  LEU 108          1HD1      LEU 108   8.121  -6.911   5.955
  888   3HD1  LEU 108          3HD1      LEU 108   7.468  -6.085   7.372
  889   1HD2  LEU 108          3HD2      LEU 108   6.266  -4.937   3.460
  890   2HD2  LEU 108          2HD2      LEU 108   7.443  -6.231   3.692
  891   3HD2  LEU 108          1HD2      LEU 108   5.743  -6.506   4.075
  892    H    HIS 109           H        HIS 109   7.072  -4.266   9.601
  893    HA   HIS 109           HA       HIS 109   8.654  -1.954   8.979
  894   1HB   HIS 109           HB2      HIS 109   8.589  -3.905  11.238
  895   2HB   HIS 109           HB3      HIS 109   9.932  -2.784  11.072
  896    HD1  HIS 109           HD1      HIS 109   9.540  -0.390  11.780
  897    HD2  HIS 109           HD2      HIS 109   6.063  -2.665  11.742
  898    HE1  HIS 109           HE1      HIS 109   7.787   1.044  12.874
  899    HE2  HIS 109           HE2      HIS 109   5.709  -0.382  12.907
  900    H    LEU 110           H        LEU 110  10.811  -1.861   8.509
  901    HA   LEU 110           HA       LEU 110  12.248  -4.305   7.856
  902   1HB   LEU 110           HB2      LEU 110  11.782  -2.102   5.845
  903   2HB   LEU 110           HB3      LEU 110  12.813  -3.495   5.602
  904    HG   LEU 110           HG       LEU 110   9.819  -3.619   6.009
  905   1HD1  LEU 110          2HD1      LEU 110  11.457  -3.830   3.486
  906   2HD1  LEU 110          1HD1      LEU 110   9.724  -4.132   3.613
  907   3HD1  LEU 110          3HD1      LEU 110  10.363  -2.515   3.915
  908   1HD2  LEU 110          1HD2      LEU 110  11.197  -5.619   6.696
  909   2HD2  LEU 110          3HD2      LEU 110   9.965  -5.914   5.471
  910   3HD2  LEU 110          2HD2      LEU 110  11.657  -5.774   5.000
  911    H    ASN 111           H        ASN 111  14.116  -4.045   8.920
  912    HA   ASN 111           HA       ASN 111  15.236  -1.415   9.361
  913   1HB   ASN 111           HB2      ASN 111  15.330  -3.138  11.136
  914   2HB   ASN 111           HB3      ASN 111  16.329  -4.145  10.094
  915   1HD2  ASN 111          1HD2      ASN 111  18.039  -4.157  11.525
  916   2HD2  ASN 111          2HD2      ASN 111  19.032  -2.770  11.798
  917    H    VAL 112           H        VAL 112  15.269  -1.260   6.921
  918    HA   VAL 112           HA       VAL 112  16.846  -2.646   5.186
  919    HB   VAL 112           HB       VAL 112  16.934   0.335   5.001
  920   1HG1  VAL 112          1HG1      VAL 112  17.887  -1.109   3.245
  921   2HG1  VAL 112          3HG1      VAL 112  16.289  -1.817   2.997
  922   3HG1  VAL 112          2HG1      VAL 112  16.559  -0.106   2.656
  923   1HG2  VAL 112          3HG2      VAL 112  14.444  -1.342   4.814
  924   2HG2  VAL 112          2HG2      VAL 112  14.719   0.098   5.793
  925   3HG2  VAL 112          1HG2      VAL 112  14.599   0.234   4.040
  926    H    LYS 113           H        LYS 113  18.958  -2.992   4.903
  927    HA   LYS 113           HA       LYS 113  20.861  -2.094   6.798
  928   1HB   LYS 113           HB2      LYS 113  21.250  -3.442   4.120
  929   2HB   LYS 113           HB3      LYS 113  22.512  -3.216   5.322
  930   1HG   LYS 113           HG2      LYS 113  19.986  -4.780   5.790
  931   2HG   LYS 113           HG3      LYS 113  21.533  -5.485   5.317
  932   1HD   LYS 113           HD2      LYS 113  22.561  -4.577   7.351
  933   2HD   LYS 113           HD3      LYS 113  21.002  -3.900   7.828
  934   1HE   LYS 113           HE2      LYS 113  21.425  -5.992   8.992
  935   2HE   LYS 113           HE3      LYS 113  20.046  -6.145   7.904
  936   1HZ   LYS 113           HZ2      LYS 113  21.483  -7.230   6.293
  937   2HZ   LYS 113           HZ1      LYS 113  22.806  -7.083   7.336
  938   3HZ   LYS 113           HZ3      LYS 113  21.497  -8.067   7.763

  No H/Q in entry =         938
  Start of MODEL   15
    1    H1   GLY  -2           HT1      GLY  -2  -7.153  -5.893  30.105
    2    H2   GLY  -2           HT3      GLY  -2  -5.496  -5.852  29.760
    3    H3   GLY  -2           HT2      GLY  -2  -6.545  -4.757  29.009
    4   1HA   GLY  -2           HA2      GLY  -2  -5.925  -6.504  27.472
    5   2HA   GLY  -2           HA3      GLY  -2  -7.644  -6.547  27.831
    6    H    SER  -1           H        SER  -1  -8.516  -8.352  28.698
    7    HA   SER  -1           HA       SER  -1  -6.753 -10.656  28.966
    8   1HB   SER  -1           HB2      SER  -1  -7.767 -11.323  31.119
    9   2HB   SER  -1           HB3      SER  -1  -6.902  -9.793  31.252
   10    HG   SER  -1           HG       SER  -1  -9.686 -10.246  31.167
   11    H    HIS   0           H        HIS   0  -9.615  -9.243  27.977
   12    HA   HIS   0           HA       HIS   0 -10.645 -11.817  27.087
   13   1HB   HIS   0           HB2      HIS   0 -11.780 -11.392  29.243
   14   2HB   HIS   0           HB3      HIS   0 -12.363  -9.853  28.620
   15    HD1  HIS   0           HD1      HIS   0 -12.913 -13.542  28.353
   16    HD2  HIS   0           HD2      HIS   0 -14.527 -10.017  26.859
   17    HE1  HIS   0           HE1      HIS   0 -15.084 -14.203  27.269
   18    HE2  HIS   0           HE2      HIS   0 -16.001 -12.066  26.298
   19    H    MET   1           H        MET   1 -11.105 -11.663  24.999
   20    HA   MET   1           HA       MET   1 -11.083  -9.177  23.627
   21   1HB   MET   1           HB2      MET   1 -11.884 -11.941  22.704
   22   2HB   MET   1           HB3      MET   1 -11.735 -10.549  21.640
   23   1HG   MET   1           HG2      MET   1  -9.749 -11.817  21.434
   24   2HG   MET   1           HG3      MET   1  -9.350 -10.361  22.342
   25   1HE   MET   1           HE3      MET   1  -7.061 -11.465  23.109
   26   2HE   MET   1           HE2      MET   1  -6.951 -13.041  23.895
   27   3HE   MET   1           HE1      MET   1  -7.456 -12.929  22.209
   28    H    ILE   2           H        ILE   2 -12.701  -7.913  22.895
   29    HA   ILE   2           HA       ILE   2 -15.328  -8.318  24.018
   30    HB   ILE   2           HB       ILE   2 -14.318  -6.077  23.975
   31   1HG1  ILE   2          2HG1      ILE   2 -16.775  -6.231  22.213
   32   2HG1  ILE   2          3HG1      ILE   2 -16.795  -6.380  23.969
   33   1HG2  ILE   2          3HG2      ILE   2 -13.082  -6.270  21.886
   34   2HG2  ILE   2          2HG2      ILE   2 -14.596  -6.293  20.979
   35   3HG2  ILE   2          1HG2      ILE   2 -14.123  -4.846  21.869
   36   1HD1  ILE   2          2HD1      ILE   2 -15.917  -4.110  24.165
   37   2HD1  ILE   2          1HD1      ILE   2 -15.916  -3.963  22.408
   38   3HD1  ILE   2          3HD1      ILE   2 -17.440  -4.153  23.275
   39    H    ALA   3           H        ALA   3 -13.761  -9.037  21.077
   40    HA   ALA   3           HA       ALA   3 -16.096 -10.249  19.990
   41   1HB   ALA   3           HB2      ALA   3 -15.082  -7.805  18.543
   42   2HB   ALA   3           HB1      ALA   3 -16.336  -8.908  17.975
   43   3HB   ALA   3           HB3      ALA   3 -16.609  -7.928  19.416
   44    HA   PRO   4           HA       PRO   4 -12.203 -10.562  16.894
   45   1HB   PRO   4           HB2      PRO   4 -10.208  -9.997  19.043
   46   2HB   PRO   4           HB3      PRO   4 -10.117  -9.669  17.309
   47   1HG   PRO   4           HG2      PRO   4 -10.626  -7.706  19.028
   48   2HG   PRO   4           HG3      PRO   4 -11.462  -7.780  17.466
   49   1HD   PRO   4           HD2      PRO   4 -12.473  -8.437  20.191
   50   2HD   PRO   4           HD3      PRO   4 -13.329  -7.727  18.809
   51    H    LEU   5           H        LEU   5 -12.164 -12.700  16.677
   52    HA   LEU   5           HA       LEU   5 -11.975 -14.425  19.002
   53   1HB   LEU   5           HB2      LEU   5 -13.605 -14.913  17.236
   54   2HB   LEU   5           HB3      LEU   5 -12.305 -15.082  16.073
   55    HG   LEU   5           HG       LEU   5 -11.461 -17.041  17.310
   56   1HD1  LEU   5          2HD1      LEU   5 -13.901 -16.624  19.033
   57   2HD1  LEU   5          1HD1      LEU   5 -12.850 -18.041  19.071
   58   3HD1  LEU   5          3HD1      LEU   5 -12.219 -16.463  19.539
   59   1HD2  LEU   5          3HD2      LEU   5 -13.015 -17.358  15.462
   60   2HD2  LEU   5          2HD2      LEU   5 -13.271 -18.572  16.714
   61   3HD2  LEU   5          1HD2      LEU   5 -14.379 -17.207  16.570
   62    H    SER   6           H        SER   6 -10.357 -14.507  15.822
   63    HA   SER   6           HA       SER   6  -8.057 -15.809  17.023
   64   1HB   SER   6           HB2      SER   6  -8.911 -16.614  14.858
   65   2HB   SER   6           HB3      SER   6  -8.587 -15.036  14.143
   66    HG   SER   6           HG       SER   6  -6.789 -17.021  14.974
   67    H    VAL   7           H        VAL   7  -5.847 -15.014  16.096
   68    HA   VAL   7           HA       VAL   7  -5.551 -12.278  16.988
   69    HB   VAL   7           HB       VAL   7  -3.942 -14.016  17.689
   70   1HG1  VAL   7          1HG1      VAL   7  -3.905 -15.344  15.648
   71   2HG1  VAL   7          3HG1      VAL   7  -3.107 -14.024  14.792
   72   3HG1  VAL   7          2HG1      VAL   7  -2.275 -14.853  16.107
   73   1HG2  VAL   7          2HG2      VAL   7  -2.779 -11.771  16.048
   74   2HG2  VAL   7          1HG2      VAL   7  -3.246 -11.708  17.748
   75   3HG2  VAL   7          3HG2      VAL   7  -1.890 -12.716  17.241
   76    H    LYS   8           H        LYS   8  -4.982 -10.533  15.773
   77    HA   LYS   8           HA       LYS   8  -5.047 -10.904  12.857
   78   1HB   LYS   8           HB2      LYS   8  -5.789  -8.588  14.623
   79   2HB   LYS   8           HB3      LYS   8  -5.487  -8.377  12.909
   80   1HG   LYS   8           HG2      LYS   8  -7.855  -8.594  13.306
   81   2HG   LYS   8           HG3      LYS   8  -7.269  -9.998  12.411
   82   1HD   LYS   8           HD2      LYS   8  -7.180 -11.279  14.502
   83   2HD   LYS   8           HD3      LYS   8  -7.798  -9.878  15.380
   84   1HE   LYS   8           HE2      LYS   8  -9.582 -11.471  14.909
   85   2HE   LYS   8           HE3      LYS   8  -9.851  -9.948  14.062
   86   1HZ   LYS   8           HZ2      LYS   8  -8.977 -10.959  12.047
   87   2HZ   LYS   8           HZ1      LYS   8  -8.722 -12.419  12.861
   88   3HZ   LYS   8           HZ3      LYS   8 -10.296 -11.841  12.634
   89    H    ASP   9           H        ASP   9  -2.726 -11.251  14.586
   90    HA   ASP   9           HA       ASP   9  -0.857  -9.359  14.821
   91   1HB   ASP   9           HB2      ASP   9  -0.463 -11.790  15.186
   92   2HB   ASP   9           HB3      ASP   9  -0.300 -11.992  13.444
   93    H    ASN  10           H        ASN  10  -0.065  -7.789  13.605
   94    HA   ASN  10           HA       ASN  10  -0.115  -8.110  10.686
   95   1HB   ASN  10           HB2      ASN  10  -0.074  -5.415  11.057
   96   2HB   ASN  10           HB3      ASN  10  -1.528  -6.370  10.789
   97   1HD2  ASN  10          1HD2      ASN  10   0.356  -4.570  13.046
   98   2HD2  ASN  10          2HD2      ASN  10  -0.794  -4.564  14.336
   99    H    ASP  11           H        ASP  11   1.271  -5.449  12.422
  100    HA   ASP  11           HA       ASP  11   3.481  -4.947  11.091
  101   1HB   ASP  11           HB2      ASP  11   4.573  -4.450  13.405
  102   2HB   ASP  11           HB3      ASP  11   3.149  -3.550  12.898
  103    H    LYS  12           H        LYS  12   4.613  -6.498  10.111
  104    HA   LYS  12           HA       LYS  12   5.775  -8.665  11.676
  105   1HB   LYS  12           HB2      LYS  12   6.554  -9.495   9.442
  106   2HB   LYS  12           HB3      LYS  12   4.809  -9.364   9.612
  107   1HG   LYS  12           HG2      LYS  12   4.761  -7.362   8.312
  108   2HG   LYS  12           HG3      LYS  12   6.524  -7.286   8.283
  109   1HD   LYS  12           HD2      LYS  12   4.919  -9.557   7.115
  110   2HD   LYS  12           HD3      LYS  12   5.473  -8.165   6.182
  111   1HE   LYS  12           HE2      LYS  12   7.793  -8.711   6.764
  112   2HE   LYS  12           HE3      LYS  12   7.229 -10.112   7.675
  113   1HZ   LYS  12           HZ2      LYS  12   6.320 -11.024   5.623
  114   2HZ   LYS  12           HZ1      LYS  12   6.889  -9.689   4.755
  115   3HZ   LYS  12           HZ3      LYS  12   7.984 -10.754   5.483
  116    H    TRP  13           H        TRP  13   7.065  -7.085  12.844
  117    HA   TRP  13           HA       TRP  13   9.016  -5.425  11.896
  118   1HB   TRP  13           HB2      TRP  13   9.520  -7.124  14.313
  119   2HB   TRP  13           HB3      TRP  13   9.852  -5.414  14.066
  120    HD1  TRP  13           HD1      TRP  13   6.935  -7.796  14.840
  121    HE1  TRP  13           HE1      TRP  13   5.004  -6.443  15.866
  122    HE3  TRP  13           HE3      TRP  13   8.888  -3.093  14.358
  123    HZ2  TRP  13           HZ2      TRP  13   4.372  -3.738  16.393
  124    HZ3  TRP  13           HZ3      TRP  13   7.562  -1.183  15.162
  125    HH2  TRP  13           HH2      TRP  13   5.360  -1.500  16.164
  126    H    VAL  14           H        VAL  14  10.391  -5.953  10.262
  127    HA   VAL  14           HA       VAL  14  12.263  -8.155  10.785
  128    HB   VAL  14           HB       VAL  14  12.025  -9.085   8.521
  129   1HG1  VAL  14          3HG1      VAL  14  10.879 -10.158  10.380
  130   2HG1  VAL  14          2HG1      VAL  14   9.476  -9.118  10.131
  131   3HG1  VAL  14          1HG1      VAL  14   9.931 -10.295   8.899
  132   1HG2  VAL  14          3HG2      VAL  14   9.662  -7.223   8.335
  133   2HG2  VAL  14          2HG2      VAL  14  11.121  -7.197   7.344
  134   3HG2  VAL  14          1HG2      VAL  14   9.990  -8.544   7.212
  135    H    ASP  15           H        ASP  15  13.696  -8.319   8.633
  136    HA   ASP  15           HA       ASP  15  14.760  -5.609   8.197
  137   1HB   ASP  15           HB2      ASP  15  16.018  -8.298   8.536
  138   2HB   ASP  15           HB3      ASP  15  16.862  -7.081   7.581
  139    H    THR  16           H        THR  16  16.261  -5.721   6.062
  140    HA   THR  16           HA       THR  16  15.433  -7.345   3.918
  141    HB   THR  16           HB       THR  16  13.342  -5.918   4.355
  142    HG1  THR  16           HG1      THR  16  13.955  -7.108   2.351
  143   1HG2  THR  16          3HG2      THR  16  14.524  -3.771   4.606
  144   2HG2  THR  16          2HG2      THR  16  15.012  -3.863   2.913
  145   3HG2  THR  16          1HG2      THR  16  13.304  -3.719   3.332
  146    H    HIS  17           H        HIS  17  15.771  -5.895   1.722
  147    HA   HIS  17           HA       HIS  17  18.360  -4.533   2.073
  148   1HB   HIS  17           HB2      HIS  17  17.466  -6.196  -0.293
  149   2HB   HIS  17           HB3      HIS  17  19.026  -5.399  -0.114
  150    HD1  HIS  17           HD1      HIS  17  17.126  -8.417   0.926
  151    HD2  HIS  17           HD2      HIS  17  20.807  -6.647   1.692
  152    HE1  HIS  17           HE1      HIS  17  18.489 -10.179   2.094
  153    HE2  HIS  17           HE2      HIS  17  20.685  -9.060   2.616
  154    H    VAL  18           H        VAL  18  18.663  -3.552  -0.506
  155    HA   VAL  18           HA       VAL  18  16.759  -1.371  -0.433
  156    HB   VAL  18           HB       VAL  18  19.044  -1.772  -2.364
  157   1HG1  VAL  18          1HG1      VAL  18  17.476   0.679  -1.567
  158   2HG1  VAL  18          3HG1      VAL  18  18.897   0.677  -2.612
  159   3HG1  VAL  18          2HG1      VAL  18  17.422  -0.143  -3.126
  160   1HG2  VAL  18          1HG2      VAL  18  19.873  -1.805  -0.076
  161   2HG2  VAL  18          3HG2      VAL  18  20.336  -0.307  -0.883
  162   3HG2  VAL  18          2HG2      VAL  18  19.006  -0.310   0.274
  163    H    GLY  19           H        GLY  19  15.263  -0.846  -1.905
  164   1HA   GLY  19           HA3      GLY  19  15.008  -1.757  -4.526
  165   2HA   GLY  19           HA2      GLY  19  13.708  -1.109  -3.549
  166    H    LYS  20           H        LYS  20  14.479  -3.545  -1.675
  167    HA   LYS  20           HA       LYS  20  13.748  -5.873  -3.040
  168   1HB   LYS  20           HB2      LYS  20  14.582  -5.352  -0.528
  169   2HB   LYS  20           HB3      LYS  20  12.878  -5.610  -0.219
  170   1HG   LYS  20           HG2      LYS  20  13.767  -7.710   0.076
  171   2HG   LYS  20           HG3      LYS  20  13.191  -7.769  -1.595
  172   1HD   LYS  20           HD2      LYS  20  15.345  -7.509  -2.465
  173   2HD   LYS  20           HD3      LYS  20  15.974  -6.927  -0.925
  174   1HE   LYS  20           HE2      LYS  20  15.660  -9.160   0.040
  175   2HE   LYS  20           HE3      LYS  20  15.034  -9.736  -1.504
  176   1HZ   LYS  20           HZ2      LYS  20  17.175  -9.249  -2.514
  177   2HZ   LYS  20           HZ1      LYS  20  17.776  -8.695  -1.033
  178   3HZ   LYS  20           HZ3      LYS  20  17.357 -10.324  -1.219
  179    H    THR  21           H        THR  21  12.050  -5.207  -4.430
  180    HA   THR  21           HA       THR  21   9.658  -4.020  -3.702
  181    HB   THR  21           HB       THR  21   9.783  -6.159  -5.813
  182    HG1  THR  21           HG1      THR  21  10.619  -4.528  -7.199
  183   1HG2  THR  21          1HG2      THR  21   7.608  -5.113  -5.347
  184   2HG2  THR  21          3HG2      THR  21   8.311  -3.523  -5.640
  185   3HG2  THR  21          2HG2      THR  21   8.196  -4.692  -6.956
  186    H    THR  22           H        THR  22   8.659  -4.726  -1.892
  187    HA   THR  22           HA       THR  22   8.049  -7.571  -1.621
  188    HB   THR  22           HB       THR  22   7.613  -5.275   0.304
  189    HG1  THR  22           HG1      THR  22   9.784  -6.641  -0.279
  190   1HG2  THR  22          2HG2      THR  22   5.933  -7.026   0.625
  191   2HG2  THR  22          1HG2      THR  22   7.209  -8.241   0.712
  192   3HG2  THR  22          3HG2      THR  22   7.085  -7.003   1.962
  193    H    GLU  23           H        GLU  23   6.411  -8.082  -2.915
  194    HA   GLU  23           HA       GLU  23   4.099  -6.397  -3.212
  195   1HB   GLU  23           HB2      GLU  23   5.079  -7.748  -5.067
  196   2HB   GLU  23           HB3      GLU  23   4.593  -9.203  -4.208
  197   1HG   GLU  23           HG2      GLU  23   2.291  -8.677  -4.443
  198   2HG   GLU  23           HG3      GLU  23   2.670  -7.061  -5.043
  199    H    ILE  24           H        ILE  24   2.255  -6.560  -2.111
  200    HA   ILE  24           HA       ILE  24   1.735  -9.012  -0.596
  201    HB   ILE  24           HB       ILE  24   1.429  -6.240   0.523
  202   1HG1  ILE  24          2HG1      ILE  24   3.441  -8.404   1.150
  203   2HG1  ILE  24          3HG1      ILE  24   3.783  -6.883   0.338
  204   1HG2  ILE  24          2HG2      ILE  24  -0.245  -7.829   1.335
  205   2HG2  ILE  24          1HG2      ILE  24   1.041  -8.938   1.813
  206   3HG2  ILE  24          3HG2      ILE  24   0.882  -7.374   2.613
  207   1HD1  ILE  24          3HD1      ILE  24   2.835  -7.173   3.175
  208   2HD1  ILE  24          2HD1      ILE  24   4.488  -6.839   2.661
  209   3HD1  ILE  24          1HD1      ILE  24   3.214  -5.659   2.355
  210    H    HIS  25           H        HIS  25   0.025  -9.707  -1.749
  211    HA   HIS  25           HA       HIS  25  -2.120  -7.942  -2.505
  212   1HB   HIS  25           HB2      HIS  25  -2.307 -10.938  -2.544
  213   2HB   HIS  25           HB3      HIS  25  -3.051  -9.771  -3.624
  214    HD1  HIS  25           HD1      HIS  25  -0.464 -12.179  -3.614
  215    HD2  HIS  25           HD2      HIS  25  -0.867  -8.361  -5.199
  216    HE1  HIS  25           HE1      HIS  25   1.271 -12.019  -5.427
  217    HE2  HIS  25           HE2      HIS  25   0.926  -9.742  -6.450
  218    H    LEU  26           H        LEU  26  -3.449  -7.235  -0.984
  219    HA   LEU  26           HA       LEU  26  -4.069  -8.976   1.301
  220   1HB   LEU  26           HB2      LEU  26  -4.471  -6.005   1.010
  221   2HB   LEU  26           HB3      LEU  26  -4.742  -6.942   2.465
  222    HG   LEU  26           HG       LEU  26  -2.022  -6.773   1.186
  223   1HD1  LEU  26          3HD1      LEU  26  -3.183  -4.922   3.263
  224   2HD1  LEU  26          2HD1      LEU  26  -1.497  -4.966   2.746
  225   3HD1  LEU  26          1HD1      LEU  26  -2.758  -4.490   1.607
  226   1HD2  LEU  26          1HD2      LEU  26  -2.543  -8.534   2.897
  227   2HD2  LEU  26          3HD2      LEU  26  -1.223  -7.445   3.325
  228   3HD2  LEU  26          2HD2      LEU  26  -2.814  -7.231   4.057
  229    H    LYS  27           H        LYS  27  -6.245  -9.149   2.013
  230    HA   LYS  27           HA       LYS  27  -8.178  -8.667  -0.150
  231   1HB   LYS  27           HB2      LYS  27  -8.609 -10.589   2.116
  232   2HB   LYS  27           HB3      LYS  27  -9.404 -10.545   0.551
  233   1HG   LYS  27           HG2      LYS  27  -7.192 -11.125  -0.486
  234   2HG   LYS  27           HG3      LYS  27  -6.586 -11.403   1.150
  235   1HD   LYS  27           HD2      LYS  27  -8.305 -13.100   1.510
  236   2HD   LYS  27           HD3      LYS  27  -8.930 -12.819  -0.117
  237   1HE   LYS  27           HE2      LYS  27  -6.780 -13.525  -1.057
  238   2HE   LYS  27           HE3      LYS  27  -6.167 -13.817   0.570
  239   1HZ   LYS  27           HZ1      LYS  27  -7.873 -15.502   0.872
  240   2HZ   LYS  27           HZ3      LYS  27  -8.459 -15.223  -0.692
  241   3HZ   LYS  27           HZ2      LYS  27  -6.908 -15.862  -0.471
  242    H    GLY  28           H        GLY  28 -10.382  -8.163   0.509
  243   1HA   GLY  28           HA3      GLY  28 -10.446  -5.915   2.202
  244   2HA   GLY  28           HA2      GLY  28 -11.093  -7.295   3.071
  245    H    ASN  29           H        ASN  29 -11.363  -6.600  -0.370
  246    HA   ASN  29           HA       ASN  29 -13.148  -6.378  -1.755
  247   1HB   ASN  29           HB2      ASN  29 -13.929  -8.437  -0.533
  248   2HB   ASN  29           HB3      ASN  29 -14.854  -7.378   0.530
  249   1HD2  ASN  29          1HD2      ASN  29 -16.607  -6.217  -0.323
  250   2HD2  ASN  29          2HD2      ASN  29 -17.380  -6.703  -1.789
  251    HA   PRO  30           HA       PRO  30 -14.089  -2.156  -0.411
  252   1HB   PRO  30           HB2      PRO  30 -15.314  -2.181  -3.127
  253   2HB   PRO  30           HB3      PRO  30 -14.223  -0.999  -2.396
  254   1HG   PRO  30           HG2      PRO  30 -13.317  -2.706  -4.210
  255   2HG   PRO  30           HG3      PRO  30 -12.345  -2.309  -2.781
  256   1HD   PRO  30           HD2      PRO  30 -13.971  -4.757  -3.347
  257   2HD   PRO  30           HD3      PRO  30 -12.383  -4.615  -2.565
  258    H    THR  31           H        THR  31 -16.158  -0.787  -0.697
  259    HA   THR  31           HA       THR  31 -18.271  -0.484   0.087
  260    HB   THR  31           HB       THR  31 -19.964  -1.356  -1.275
  261    HG1  THR  31           HG1      THR  31 -19.861  -3.501  -1.341
  262   1HG2  THR  31          1HG2      THR  31 -17.436  -1.380  -2.920
  263   2HG2  THR  31          3HG2      THR  31 -19.072  -1.210  -3.556
  264   3HG2  THR  31          2HG2      THR  31 -18.396   0.042  -2.514
  265    H    THR  32           H        THR  32 -16.602  -2.515   1.526
  266    HA   THR  32           HA       THR  32 -18.798  -4.066   2.734
  267    HB   THR  32           HB       THR  32 -15.867  -4.784   2.578
  268    HG1  THR  32           HG1      THR  32 -17.200  -6.693   1.545
  269   1HG2  THR  32          3HG2      THR  32 -18.162  -6.256   3.876
  270   2HG2  THR  32          2HG2      THR  32 -16.530  -6.891   3.661
  271   3HG2  THR  32          1HG2      THR  32 -16.804  -5.499   4.709
  272    H    GLY  33           H        GLY  33 -15.549  -2.832   3.575
  273   1HA   GLY  33           HA3      GLY  33 -15.315  -2.819   6.156
  274   2HA   GLY  33           HA2      GLY  33 -16.699  -1.743   6.051
  275    H    TYR  34           H        TYR  34 -13.312  -2.005   5.910
  276    HA   TYR  34           HA       TYR  34 -13.119   0.872   5.334
  277   1HB   TYR  34           HB2      TYR  34 -11.176  -0.929   6.796
  278   2HB   TYR  34           HB3      TYR  34 -10.974   0.798   6.541
  279    HD1  TYR  34           HD1      TYR  34 -13.741  -1.388   7.821
  280    HD2  TYR  34           HD2      TYR  34 -11.274   2.025   8.461
  281    HE1  TYR  34           HE1      TYR  34 -14.912  -0.943   9.936
  282    HE2  TYR  34           HE2      TYR  34 -12.444   2.475  10.577
  283    HH   TYR  34           HH       TYR  34 -14.611   1.980  11.627
  284    H    MET  35           H        MET  35 -10.435   1.067   4.833
  285    HA   MET  35           HA       MET  35 -10.070  -0.401   2.328
  286   1HB   MET  35           HB2      MET  35 -10.398   1.817   1.680
  287   2HB   MET  35           HB3      MET  35  -9.583   2.455   3.101
  288   1HG   MET  35           HG2      MET  35  -7.462   1.473   2.140
  289   2HG   MET  35           HG3      MET  35  -8.370   1.246   0.659
  290   1HE   MET  35           HE2      MET  35  -6.266   2.673  -0.338
  291   2HE   MET  35           HE1      MET  35  -7.780   2.922  -1.205
  292   3HE   MET  35           HE3      MET  35  -6.748   4.299  -0.823
  293    H    TRP  36           H        TRP  36  -7.944  -0.992   1.807
  294    HA   TRP  36           HA       TRP  36  -6.134  -1.093   4.120
  295   1HB   TRP  36           HB2      TRP  36  -6.802  -3.004   1.977
  296   2HB   TRP  36           HB3      TRP  36  -5.104  -2.902   2.400
  297    HD1  TRP  36           HD1      TRP  36  -8.116  -4.729   3.323
  298    HE1  TRP  36           HE1      TRP  36  -7.869  -5.834   5.636
  299    HE3  TRP  36           HE3      TRP  36  -3.968  -2.240   4.969
  300    HZ2  TRP  36           HZ2      TRP  36  -6.140  -5.668   7.866
  301    HZ3  TRP  36           HZ3      TRP  36  -3.081  -2.768   7.192
  302    HH2  TRP  36           HH2      TRP  36  -4.145  -4.446   8.615
  303    H    THR  37           H        THR  37  -5.146   0.883   3.804
  304    HA   THR  37           HA       THR  37  -3.332   0.984   1.490
  305    HB   THR  37           HB       THR  37  -5.299   2.469   1.079
  306    HG1  THR  37           HG1      THR  37  -3.996   4.215   0.441
  307   1HG2  THR  37          2HG2      THR  37  -4.227   3.897   3.516
  308   2HG2  THR  37          1HG2      THR  37  -5.406   4.580   2.395
  309   3HG2  THR  37          3HG2      THR  37  -5.812   3.145   3.337
  310    H    ARG  38           H        ARG  38  -2.023   3.376   2.114
  311    HA   ARG  38           HA       ARG  38  -0.610   2.569   4.524
  312   1HB   ARG  38           HB2      ARG  38   0.042   4.215   2.155
  313   2HB   ARG  38           HB3      ARG  38   0.774   4.718   3.664
  314   1HG   ARG  38           HG2      ARG  38   1.870   2.660   3.937
  315   2HG   ARG  38           HG3      ARG  38   0.976   1.938   2.596
  316   1HD   ARG  38           HD2      ARG  38   3.342   2.679   2.120
  317   2HD   ARG  38           HD3      ARG  38   2.123   3.222   1.002
  318    HE   ARG  38           HE       ARG  38   2.298   5.405   1.990
  319   1HH1  ARG  38          1HH1      ARG  38   4.701   3.101   3.017
  320   2HH1  ARG  38          2HH1      ARG  38   5.853   4.309   3.480
  321   1HH2  ARG  38          1HH2      ARG  38   3.825   7.007   2.582
  322   2HH2  ARG  38          2HH2      ARG  38   5.354   6.526   3.237
  323    H    VAL  39           H        VAL  39  -0.245   3.917   6.301
  324    HA   VAL  39           HA       VAL  39  -2.429   5.498   7.108
  325    HB   VAL  39           HB       VAL  39   0.343   5.471   8.308
  326   1HG1  VAL  39          1HG1      VAL  39  -2.334   6.200   9.491
  327   2HG1  VAL  39          3HG1      VAL  39  -0.811   6.112  10.378
  328   3HG1  VAL  39          2HG1      VAL  39  -1.023   7.315   9.106
  329   1HG2  VAL  39          1HG2      VAL  39  -0.835   3.220   8.006
  330   2HG2  VAL  39          3HG2      VAL  39  -0.256   3.632   9.621
  331   3HG2  VAL  39          2HG2      VAL  39  -1.970   3.795   9.227
  332    H    GLY  40           H        GLY  40  -2.852   7.619   6.973
  333   1HA   GLY  40           HA3      GLY  40  -0.757   9.565   6.567
  334   2HA   GLY  40           HA2      GLY  40  -2.473   9.897   6.734
  335    H    PHE  41           H        PHE  41  -2.713   7.688   4.522
  336    HA   PHE  41           HA       PHE  41  -2.455   9.600   2.313
  337   1HB   PHE  41           HB2      PHE  41  -1.614   6.700   2.162
  338   2HB   PHE  41           HB3      PHE  41  -1.542   7.876   0.854
  339    HD1  PHE  41           HD1      PHE  41  -0.099   9.973   1.274
  340    HD2  PHE  41           HD2      PHE  41   0.194   6.390   3.537
  341    HE1  PHE  41           HE1      PHE  41   2.154  10.636   2.014
  342    HE2  PHE  41           HE2      PHE  41   2.449   7.039   4.285
  343    HZ   PHE  41           HZ       PHE  41   3.431   9.167   3.524
  344    H    VAL  42           H        VAL  42  -4.383   7.705   4.093
  345    HA   VAL  42           HA       VAL  42  -6.010   6.206   2.513
  346    HB   VAL  42           HB       VAL  42  -6.410   6.369   4.884
  347   1HG1  VAL  42          1HG1      VAL  42  -5.842   8.726   5.186
  348   2HG1  VAL  42          3HG1      VAL  42  -7.339   9.193   4.378
  349   3HG1  VAL  42          2HG1      VAL  42  -7.399   8.340   5.921
  350   1HG2  VAL  42          1HG2      VAL  42  -8.296   5.684   3.512
  351   2HG2  VAL  42          3HG2      VAL  42  -8.851   6.598   4.915
  352   3HG2  VAL  42          2HG2      VAL  42  -8.794   7.366   3.328
  353    H    GLY  43           H        GLY  43  -7.167   6.549   0.736
  354   1HA   GLY  43           HA3      GLY  43  -8.481   9.132   0.336
  355   2HA   GLY  43           HA2      GLY  43  -8.808   7.654  -0.555
  356    H    LYS  44           H        LYS  44  -5.659   9.155   0.027
  357    HA   LYS  44           HA       LYS  44  -5.404  10.504  -2.405
  358   1HB   LYS  44           HB2      LYS  44  -3.217   9.258  -0.732
  359   2HB   LYS  44           HB3      LYS  44  -3.011  10.523  -1.930
  360   1HG   LYS  44           HG2      LYS  44  -4.418  12.015  -0.572
  361   2HG   LYS  44           HG3      LYS  44  -4.541  10.747   0.651
  362   1HD   LYS  44           HD2      LYS  44  -2.108  10.788   0.933
  363   2HD   LYS  44           HD3      LYS  44  -1.990  12.060  -0.283
  364   1HE   LYS  44           HE2      LYS  44  -3.349  13.530   1.121
  365   2HE   LYS  44           HE3      LYS  44  -3.469  12.259   2.338
  366   1HZ   LYS  44           HZ3      LYS  44  -0.952  13.562   1.448
  367   2HZ   LYS  44           HZ2      LYS  44  -1.761  13.871   2.901
  368   3HZ   LYS  44           HZ1      LYS  44  -1.074  12.350   2.623
  369    H    ASP  45           H        ASP  45  -3.786   9.937  -4.131
  370    HA   ASP  45           HA       ASP  45  -4.392   7.306  -5.148
  371   1HB   ASP  45           HB2      ASP  45  -2.919   9.677  -6.303
  372   2HB   ASP  45           HB3      ASP  45  -3.150   8.162  -7.160
  373    H    VAL  46           H        VAL  46  -1.518   9.179  -4.261
  374    HA   VAL  46           HA       VAL  46   0.067   6.704  -4.373
  375    HB   VAL  46           HB       VAL  46   0.778   9.569  -4.806
  376   1HG1  VAL  46          2HG1      VAL  46   2.700   7.472  -3.800
  377   2HG1  VAL  46          1HG1      VAL  46   3.184   8.998  -4.540
  378   3HG1  VAL  46          3HG1      VAL  46   2.288   9.000  -3.021
  379   1HG2  VAL  46          1HG2      VAL  46   0.362   8.065  -6.691
  380   2HG2  VAL  46          3HG2      VAL  46   2.035   8.628  -6.664
  381   3HG2  VAL  46          2HG2      VAL  46   1.645   6.998  -6.115
  382    H    LEU  47           H        LEU  47   1.035   5.921  -2.623
  383    HA   LEU  47           HA       LEU  47   0.515   7.262  -0.074
  384   1HB   LEU  47           HB2      LEU  47   1.609   4.508  -0.279
  385   2HB   LEU  47           HB3      LEU  47   0.561   5.196   0.940
  386    HG   LEU  47           HG       LEU  47  -0.288   4.478  -1.867
  387   1HD1  LEU  47          2HD1      LEU  47  -0.787   3.065   0.748
  388   2HD1  LEU  47          1HD1      LEU  47  -1.505   2.637  -0.806
  389   3HD1  LEU  47          3HD1      LEU  47   0.238   2.492  -0.569
  390   1HD2  LEU  47          2HD2      LEU  47  -1.877   5.407   0.519
  391   2HD2  LEU  47          1HD2      LEU  47  -1.598   6.304  -0.973
  392   3HD2  LEU  47          3HD2      LEU  47  -2.562   4.828  -1.000
  393    H    SER  48           H        SER  48   3.089   5.520  -1.780
  394    HA   SER  48           HA       SER  48   5.199   5.938  -0.072
  395   1HB   SER  48           HB2      SER  48   6.626   5.563  -1.988
  396   2HB   SER  48           HB3      SER  48   5.212   4.527  -2.127
  397    HG   SER  48           HG       SER  48   6.040   6.015  -3.983
  398    H    ASP  49           H        ASP  49   7.188   7.339  -0.725
  399    HA   ASP  49           HA       ASP  49   6.536   9.963  -1.744
  400   1HB   ASP  49           HB2      ASP  49   7.170   9.506   1.164
  401   2HB   ASP  49           HB3      ASP  49   7.467  11.055   0.378
  402    H    GLU  50           H        GLU  50   9.047   9.240   0.597
  403    HA   GLU  50           HA       GLU  50  11.043   9.244  -1.555
  404   1HB   GLU  50           HB2      GLU  50  12.459  10.713  -0.225
  405   2HB   GLU  50           HB3      GLU  50  10.900  11.469  -0.535
  406   1HG   GLU  50           HG2      GLU  50  10.169  10.742   1.725
  407   2HG   GLU  50           HG3      GLU  50  11.819  10.196   2.025
  408    H    ILE  51           H        ILE  51  10.158   8.313   1.712
  409    HA   ILE  51           HA       ILE  51  12.507   6.989   2.451
  410    HB   ILE  51           HB       ILE  51   9.685   6.356   3.276
  411   1HG1  ILE  51          2HG1      ILE  51  10.331   8.718   3.595
  412   2HG1  ILE  51          3HG1      ILE  51  10.093   7.879   5.113
  413   1HG2  ILE  51          3HG2      ILE  51  12.320   5.726   4.602
  414   2HG2  ILE  51          2HG2      ILE  51  10.727   5.441   5.304
  415   3HG2  ILE  51          1HG2      ILE  51  11.222   4.567   3.855
  416   1HD1  ILE  51          1HD1      ILE  51  12.751   8.467   3.859
  417   2HD1  ILE  51          3HD1      ILE  51  12.021   9.350   5.200
  418   3HD1  ILE  51          2HD1      ILE  51  12.489   7.661   5.405
  419    H    LEU  52           H        LEU  52   9.458   5.484   1.353
  420    HA   LEU  52           HA       LEU  52  11.073   3.345   0.122
  421   1HB   LEU  52           HB2      LEU  52   8.363   2.928   1.376
  422   2HB   LEU  52           HB3      LEU  52   9.444   1.701   0.752
  423    HG   LEU  52           HG       LEU  52   9.875   3.359   3.230
  424   1HD1  LEU  52          2HD1      LEU  52   8.162   1.631   3.456
  425   2HD1  LEU  52          1HD1      LEU  52   9.308   0.424   2.876
  426   3HD1  LEU  52          3HD1      LEU  52   9.598   1.251   4.407
  427   1HD2  LEU  52          2HD2      LEU  52  11.983   2.858   2.052
  428   2HD2  LEU  52          1HD2      LEU  52  11.859   2.028   3.602
  429   3HD2  LEU  52          3HD2      LEU  52  11.576   1.143   2.104
  430    H    GLU  53           H        GLU  53  10.582   2.855  -1.944
  431    HA   GLU  53           HA       GLU  53   8.644   4.404  -3.358
  432   1HB   GLU  53           HB2      GLU  53  10.738   2.446  -4.005
  433   2HB   GLU  53           HB3      GLU  53   9.336   2.358  -5.062
  434   1HG   GLU  53           HG2      GLU  53  10.298   5.067  -4.574
  435   2HG   GLU  53           HG3      GLU  53  11.459   4.021  -5.388
  436    H    VAL  54           H        VAL  54   6.953   3.631  -1.764
  437    HA   VAL  54           HA       VAL  54   5.972   0.967  -1.991
  438    HB   VAL  54           HB       VAL  54   4.359   3.282  -0.967
  439   1HG1  VAL  54          3HG1      VAL  54   3.270   1.102  -1.244
  440   2HG1  VAL  54          2HG1      VAL  54   4.477   0.377  -0.182
  441   3HG1  VAL  54          1HG1      VAL  54   3.363   1.589   0.448
  442   1HG2  VAL  54          2HG2      VAL  54   6.623   1.845   0.391
  443   2HG2  VAL  54          1HG2      VAL  54   6.410   3.579   0.166
  444   3HG2  VAL  54          3HG2      VAL  54   5.365   2.700   1.283
  445    H    VAL  55           H        VAL  55   5.725   0.779  -4.286
  446    HA   VAL  55           HA       VAL  55   3.712   2.368  -5.592
  447    HB   VAL  55           HB       VAL  55   4.956  -0.190  -6.578
  448   1HG1  VAL  55          2HG1      VAL  55   2.851   0.652  -7.654
  449   2HG1  VAL  55          1HG1      VAL  55   3.757   2.082  -8.145
  450   3HG1  VAL  55          3HG1      VAL  55   4.232   0.491  -8.742
  451   1HG2  VAL  55          3HG2      VAL  55   6.710   1.429  -6.058
  452   2HG2  VAL  55          2HG2      VAL  55   6.547   1.227  -7.802
  453   3HG2  VAL  55          1HG2      VAL  55   5.874   2.653  -7.013
  454    H    CYS  56           H        CYS  56   2.014   1.971  -4.171
  455    HA   CYS  56           HA       CYS  56   0.931  -0.724  -3.997
  456   1HB   CYS  56           HB2      CYS  56   0.925   0.486  -1.929
  457   2HB   CYS  56           HB3      CYS  56   0.147   1.877  -2.677
  458    HG   CYS  56           HG       CYS  56  -2.116   1.150  -1.698
  459    H    LYS  57           H        LYS  57  -0.847  -1.413  -5.025
  460    HA   LYS  57           HA       LYS  57  -2.348   0.550  -6.613
  461   1HB   LYS  57           HB2      LYS  57  -1.848  -2.253  -7.552
  462   2HB   LYS  57           HB3      LYS  57  -2.415  -0.877  -8.480
  463   1HG   LYS  57           HG2      LYS  57  -0.222   0.167  -8.305
  464   2HG   LYS  57           HG3      LYS  57   0.357  -1.199  -7.351
  465   1HD   LYS  57           HD2      LYS  57  -0.071  -2.699  -9.239
  466   2HD   LYS  57           HD3      LYS  57  -0.643  -1.329 -10.195
  467   1HE   LYS  57           HE2      LYS  57   2.134  -1.662  -9.065
  468   2HE   LYS  57           HE3      LYS  57   1.668  -1.904 -10.749
  469   1HZ   LYS  57           HZ3      LYS  57   1.474   0.658  -9.259
  470   2HZ   LYS  57           HZ2      LYS  57   2.659   0.272 -10.400
  471   3HZ   LYS  57           HZ1      LYS  57   1.044   0.422 -10.878
  472    H    TYR  58           H        TYR  58  -4.201   0.671  -5.577
  473    HA   TYR  58           HA       TYR  58  -5.439  -1.634  -4.356
  474   1HB   TYR  58           HB2      TYR  58  -5.585   0.651  -3.333
  475   2HB   TYR  58           HB3      TYR  58  -6.540   1.172  -4.717
  476    HD1  TYR  58           HD1      TYR  58  -7.178   1.133  -1.649
  477    HD2  TYR  58           HD2      TYR  58  -8.230  -1.431  -4.897
  478    HE1  TYR  58           HE1      TYR  58  -9.261   0.485  -0.497
  479    HE2  TYR  58           HE2      TYR  58 -10.280  -2.099  -3.747
  480    HH   TYR  58           HH       TYR  58 -11.166  -2.153  -1.446
  481    H    THR  59           H        THR  59  -6.418  -3.065  -5.606
  482    HA   THR  59           HA       THR  59  -7.716  -2.167  -8.084
  483    HB   THR  59           HB       THR  59  -7.242  -5.047  -7.347
  484    HG1  THR  59           HG1      THR  59  -5.176  -4.461  -7.310
  485   1HG2  THR  59          2HG2      THR  59  -7.390  -3.561  -9.977
  486   2HG2  THR  59          1HG2      THR  59  -7.132  -5.295  -9.793
  487   3HG2  THR  59          3HG2      THR  59  -8.657  -4.571  -9.282
  488    HA   PRO  60           HA       PRO  60 -11.456  -3.209  -5.749
  489   1HB   PRO  60           HB2      PRO  60 -12.776  -0.968  -6.203
  490   2HB   PRO  60           HB3      PRO  60 -11.348  -0.944  -5.164
  491   1HG   PRO  60           HG2      PRO  60 -11.679   0.015  -7.961
  492   2HG   PRO  60           HG3      PRO  60 -10.601   0.614  -6.689
  493   1HD   PRO  60           HD2      PRO  60  -9.987  -1.228  -8.805
  494   2HD   PRO  60           HD3      PRO  60  -8.917  -0.640  -7.517
  495    H    THR  61           H        THR  61 -10.796  -3.341  -8.913
  496    HA   THR  61           HA       THR  61 -13.491  -3.187  -9.958
  497    HB   THR  61           HB       THR  61 -11.414  -4.413 -11.655
  498    HG1  THR  61           HG1      THR  61 -10.261  -2.780 -10.404
  499   1HG2  THR  61          1HG2      THR  61 -13.329  -2.106 -12.017
  500   2HG2  THR  61          3HG2      THR  61 -12.313  -2.799 -13.281
  501   3HG2  THR  61          2HG2      THR  61 -13.587  -3.770 -12.543
  502    HA   PRO  62           HA       PRO  62 -14.217  -7.546  -9.345
  503   1HB   PRO  62           HB2      PRO  62 -16.668  -7.692 -10.376
  504   2HB   PRO  62           HB3      PRO  62 -16.362  -6.772  -8.897
  505   1HG   PRO  62           HG2      PRO  62 -16.748  -5.797 -11.695
  506   2HG   PRO  62           HG3      PRO  62 -17.330  -5.099 -10.176
  507   1HD   PRO  62           HD2      PRO  62 -15.070  -4.264 -11.574
  508   2HD   PRO  62           HD3      PRO  62 -15.412  -3.916  -9.868
  509    H    SER  63           H        SER  63 -15.223  -9.394 -10.762
  510    HA   SER  63           HA       SER  63 -14.836  -9.200 -13.592
  511   1HB   SER  63           HB2      SER  63 -12.473  -9.370 -12.642
  512   2HB   SER  63           HB3      SER  63 -12.900 -11.008 -12.143
  513    HG   SER  63           HG       SER  63 -12.607  -9.954 -14.729
  514    H    SER  64           H        SER  64 -14.556 -11.768 -14.339
  515    HA   SER  64           HA       SER  64 -16.914 -13.039 -13.136
  516   1HB   SER  64           HB2      SER  64 -17.103 -12.550 -15.529
  517   2HB   SER  64           HB3      SER  64 -15.639 -13.481 -15.847
  518    HG   SER  64           HG       SER  64 -17.866 -14.502 -16.070
  519    H    THR  65           H        THR  65 -13.831 -14.026 -14.646
  520    HA   THR  65           HA       THR  65 -13.828 -16.376 -12.893
  521    HB   THR  65           HB       THR  65 -12.255 -15.958 -15.434
  522    HG1  THR  65           HG1      THR  65 -14.672 -17.330 -14.852
  523   1HG2  THR  65          2HG2      THR  65 -12.599 -18.406 -13.697
  524   2HG2  THR  65          1HG2      THR  65 -11.758 -18.356 -15.245
  525   3HG2  THR  65          3HG2      THR  65 -11.124 -17.455 -13.869
  526    HA   PRO  66           HA       PRO  66  -9.336 -14.593 -12.512
  527   1HB   PRO  66           HB2      PRO  66  -9.583 -11.824 -13.458
  528   2HB   PRO  66           HB3      PRO  66  -8.391 -13.052 -13.889
  529   1HG   PRO  66           HG2      PRO  66 -10.278 -12.245 -15.624
  530   2HG   PRO  66           HG3      PRO  66  -9.703 -13.922 -15.581
  531   1HD   PRO  66           HD2      PRO  66 -12.204 -12.749 -14.410
  532   2HD   PRO  66           HD3      PRO  66 -11.995 -14.267 -15.308
  533    H    MET  67           H        MET  67  -9.117 -14.278 -10.401
  534    HA   MET  67           HA       MET  67 -10.143 -11.830  -9.185
  535   1HB   MET  67           HB2      MET  67 -10.780 -14.598  -8.137
  536   2HB   MET  67           HB3      MET  67 -11.100 -13.099  -7.277
  537   1HG   MET  67           HG2      MET  67 -12.292 -13.850  -9.936
  538   2HG   MET  67           HG3      MET  67 -13.091 -14.032  -8.375
  539   1HE   MET  67           HE2      MET  67 -13.859 -12.030  -6.853
  540   2HE   MET  67           HE1      MET  67 -12.203 -11.426  -6.817
  541   3HE   MET  67           HE3      MET  67 -13.530 -10.336  -7.214
  542    H    VAL  68           H        VAL  68  -7.565 -13.253  -9.905
  543    HA   VAL  68           HA       VAL  68  -6.339 -13.362  -7.239
  544    HB   VAL  68           HB       VAL  68  -6.181 -15.365  -8.778
  545   1HG1  VAL  68          2HG1      VAL  68  -5.825 -14.146 -10.866
  546   2HG1  VAL  68          1HG1      VAL  68  -4.260 -13.587 -10.275
  547   3HG1  VAL  68          3HG1      VAL  68  -4.531 -15.305 -10.566
  548   1HG2  VAL  68          3HG2      VAL  68  -4.687 -15.067  -6.871
  549   2HG2  VAL  68          2HG2      VAL  68  -3.842 -15.822  -8.222
  550   3HG2  VAL  68          1HG2      VAL  68  -3.590 -14.113  -7.868
  551    H    GLY  69           H        GLY  69  -6.973 -10.923  -8.748
  552   1HA   GLY  69           HA3      GLY  69  -4.763  -9.794 -10.018
  553   2HA   GLY  69           HA2      GLY  69  -4.568  -9.505  -8.297
  554    H    VAL  70           H        VAL  70  -7.703  -9.656  -9.808
  555    HA   VAL  70           HA       VAL  70  -8.099  -6.837  -9.150
  556    HB   VAL  70           HB       VAL  70  -7.627  -6.761 -11.495
  557   1HG1  VAL  70          1HG1      VAL  70  -7.998  -9.123 -12.008
  558   2HG1  VAL  70          3HG1      VAL  70  -9.739  -8.877 -11.875
  559   3HG1  VAL  70          2HG1      VAL  70  -8.830  -8.070 -13.153
  560   1HG2  VAL  70          3HG2      VAL  70  -9.495  -5.365 -10.678
  561   2HG2  VAL  70          2HG2      VAL  70  -9.661  -5.804 -12.378
  562   3HG2  VAL  70          1HG2      VAL  70 -10.620  -6.636 -11.154
  563    H    GLY  71           H        GLY  71  -9.239  -7.682  -7.340
  564   1HA   GLY  71           HA3      GLY  71 -11.172  -9.458  -7.060
  565   2HA   GLY  71           HA2      GLY  71 -12.025  -8.232  -7.978
  566    H    GLY  72           H        GLY  72 -10.151  -6.256  -6.433
  567   1HA   GLY  72           HA3      GLY  72 -11.953  -6.083  -4.129
  568   2HA   GLY  72           HA2      GLY  72 -11.085  -4.732  -4.832
  569    H    ILE  73           H        ILE  73  -8.594  -6.306  -5.010
  570    HA   ILE  73           HA       ILE  73  -7.978  -6.642  -2.164
  571    HB   ILE  73           HB       ILE  73  -5.938  -7.757  -2.811
  572   1HG1  ILE  73          2HG1      ILE  73  -6.658  -7.895  -5.680
  573   2HG1  ILE  73          3HG1      ILE  73  -5.961  -6.381  -5.101
  574   1HG2  ILE  73          2HG2      ILE  73  -8.043  -9.024  -2.604
  575   2HG2  ILE  73          1HG2      ILE  73  -8.219  -8.937  -4.357
  576   3HG2  ILE  73          3HG2      ILE  73  -6.840  -9.783  -3.648
  577   1HD1  ILE  73          3HD1      ILE  73  -4.054  -7.641  -4.191
  578   2HD1  ILE  73          2HD1      ILE  73  -4.740  -9.121  -4.863
  579   3HD1  ILE  73          1HD1      ILE  73  -4.221  -7.821  -5.939
  580    H    TYR  74           H        TYR  74  -5.299  -6.273  -2.138
  581    HA   TYR  74           HA       TYR  74  -4.782  -3.563  -3.099
  582   1HB   TYR  74           HB2      TYR  74  -4.085  -4.175  -0.258
  583   2HB   TYR  74           HB3      TYR  74  -4.461  -2.627  -1.010
  584    HD1  TYR  74           HD1      TYR  74  -6.649  -1.735  -0.910
  585    HD2  TYR  74           HD2      TYR  74  -5.993  -5.780   0.224
  586    HE1  TYR  74           HE1      TYR  74  -8.936  -1.864  -0.011
  587    HE2  TYR  74           HE2      TYR  74  -8.271  -5.910   1.113
  588    HH   TYR  74           HH       TYR  74 -10.004  -4.369   1.973
  589    H    VAL  75           H        VAL  75  -3.107  -4.208  -4.421
  590    HA   VAL  75           HA       VAL  75  -1.037  -5.944  -3.313
  591    HB   VAL  75           HB       VAL  75  -1.701  -6.575  -5.517
  592   1HG1  VAL  75          1HG1      VAL  75  -1.120  -3.737  -6.338
  593   2HG1  VAL  75          3HG1      VAL  75  -1.482  -5.057  -7.448
  594   3HG1  VAL  75          2HG1      VAL  75  -2.701  -4.523  -6.290
  595   1HG2  VAL  75          1HG2      VAL  75   0.683  -6.763  -5.030
  596   2HG2  VAL  75          3HG2      VAL  75   0.405  -6.436  -6.741
  597   3HG2  VAL  75          2HG2      VAL  75   0.947  -5.142  -5.672
  598    H    VAL  76           H        VAL  76   0.336  -4.902  -2.064
  599    HA   VAL  76           HA       VAL  76   1.231  -2.208  -2.792
  600    HB   VAL  76           HB       VAL  76   1.757  -3.721  -0.235
  601   1HG1  VAL  76          2HG1      VAL  76   1.999  -0.798  -0.943
  602   2HG1  VAL  76          1HG1      VAL  76   2.219  -1.477   0.670
  603   3HG1  VAL  76          3HG1      VAL  76   3.325  -1.918  -0.631
  604   1HG2  VAL  76          3HG2      VAL  76  -0.644  -3.442  -0.559
  605   2HG2  VAL  76          2HG2      VAL  76  -0.061  -2.411   0.746
  606   3HG2  VAL  76          1HG2      VAL  76  -0.416  -1.715  -0.834
  607    H    LEU  77           H        LEU  77   3.182  -1.839  -3.639
  608    HA   LEU  77           HA       LEU  77   5.241  -3.934  -3.413
  609   1HB   LEU  77           HB2      LEU  77   4.831  -1.811  -5.517
  610   2HB   LEU  77           HB3      LEU  77   6.274  -2.800  -5.412
  611    HG   LEU  77           HG       LEU  77   3.464  -3.822  -5.888
  612   1HD1  LEU  77          2HD1      LEU  77   5.816  -3.572  -7.759
  613   2HD1  LEU  77          1HD1      LEU  77   4.270  -4.331  -8.139
  614   3HD1  LEU  77          3HD1      LEU  77   4.344  -2.602  -7.805
  615   1HD2  LEU  77          3HD2      LEU  77   5.209  -5.269  -4.631
  616   2HD2  LEU  77          2HD2      LEU  77   4.314  -5.969  -5.983
  617   3HD2  LEU  77          1HD2      LEU  77   5.971  -5.413  -6.214
  618    H    VAL  78           H        VAL  78   6.362  -3.349  -1.617
  619    HA   VAL  78           HA       VAL  78   7.097  -0.533  -1.301
  620    HB   VAL  78           HB       VAL  78   8.150  -2.242   0.766
  621   1HG1  VAL  78          2HG1      VAL  78   6.062  -0.048   0.782
  622   2HG1  VAL  78          1HG1      VAL  78   6.864  -0.713   2.207
  623   3HG1  VAL  78          3HG1      VAL  78   7.804   0.166   1.001
  624   1HG2  VAL  78          2HG2      VAL  78   6.326  -3.739   0.152
  625   2HG2  VAL  78          1HG2      VAL  78   6.048  -3.007   1.730
  626   3HG2  VAL  78          3HG2      VAL  78   5.176  -2.413   0.319
  627    H    LYS  79           H        LYS  79   8.809   0.000  -2.487
  628    HA   LYS  79           HA       LYS  79  11.105  -1.829  -2.563
  629   1HB   LYS  79           HB2      LYS  79  10.073   0.272  -4.407
  630   2HB   LYS  79           HB3      LYS  79  11.805  -0.028  -4.381
  631   1HG   LYS  79           HG2      LYS  79  11.374  -2.408  -4.847
  632   2HG   LYS  79           HG3      LYS  79   9.639  -2.045  -4.971
  633   1HD   LYS  79           HD2      LYS  79  11.791  -0.782  -6.676
  634   2HD   LYS  79           HD3      LYS  79  10.802  -2.159  -7.168
  635   1HE   LYS  79           HE2      LYS  79   9.782   0.584  -6.440
  636   2HE   LYS  79           HE3      LYS  79   9.926  -0.065  -8.072
  637   1HZ   LYS  79           HZ2      LYS  79   8.332  -1.788  -7.482
  638   2HZ   LYS  79           HZ1      LYS  79   8.186  -1.149  -5.923
  639   3HZ   LYS  79           HZ3      LYS  79   7.667  -0.250  -7.259
  640    HA   PRO  80           HA       PRO  80  12.662   0.871   0.767
  641   1HB   PRO  80           HB2      PRO  80  14.997  -0.835   0.001
  642   2HB   PRO  80           HB3      PRO  80  14.425  -0.370   1.608
  643   1HG   PRO  80           HG2      PRO  80  13.900  -2.791   0.615
  644   2HG   PRO  80           HG3      PRO  80  12.705  -1.918   1.586
  645   1HD   PRO  80           HD2      PRO  80  12.746  -2.443  -1.327
  646   2HD   PRO  80           HD3      PRO  80  11.368  -2.180  -0.242
  647    H    ARG  81           H        ARG  81  12.790   2.854  -0.230
  648    HA   ARG  81           HA       ARG  81  14.611   3.394  -2.368
  649   1HB   ARG  81           HB2      ARG  81  12.459   4.740  -1.031
  650   2HB   ARG  81           HB3      ARG  81  13.848   5.815  -1.133
  651   1HG   ARG  81           HG2      ARG  81  13.944   5.496  -3.534
  652   2HG   ARG  81           HG3      ARG  81  12.605   4.349  -3.448
  653   1HD   ARG  81           HD2      ARG  81  11.103   6.057  -2.711
  654   2HD   ARG  81           HD3      ARG  81  12.421   7.221  -2.561
  655    HE   ARG  81           HE       ARG  81  12.022   6.120  -5.210
  656   1HH1  ARG  81          1HH1      ARG  81  11.320   8.709  -2.988
  657   2HH1  ARG  81          2HH1      ARG  81  10.893   9.834  -4.232
  658   1HH2  ARG  81          1HH2      ARG  81  11.462   7.594  -6.855
  659   2HH2  ARG  81          2HH2      ARG  81  10.974   9.201  -6.432
  660    H    LYS  82           H        LYS  82  14.693   3.622   1.109
  661    HA   LYS  82           HA       LYS  82  17.431   4.699   0.932
  662   1HB   LYS  82           HB2      LYS  82  15.515   5.119   3.227
  663   2HB   LYS  82           HB3      LYS  82  17.096   5.854   3.020
  664   1HG   LYS  82           HG2      LYS  82  16.232   7.011   1.001
  665   2HG   LYS  82           HG3      LYS  82  14.632   6.363   1.372
  666   1HD   LYS  82           HD2      LYS  82  14.807   7.465   3.617
  667   2HD   LYS  82           HD3      LYS  82  16.278   8.254   3.043
  668   1HE   LYS  82           HE2      LYS  82  14.922   9.174   1.142
  669   2HE   LYS  82           HE3      LYS  82  13.486   8.551   1.955
  670   1HZ   LYS  82           HZ1      LYS  82  15.389  10.519   3.103
  671   2HZ   LYS  82           HZ3      LYS  82  13.866  10.884   2.462
  672   3HZ   LYS  82           HZ2      LYS  82  13.991   9.936   3.856
  673    H    ARG  83           H        ARG  83  18.927   3.962   2.533
  674    HA   ARG  83           HA       ARG  83  18.375   1.221   3.390
  675   1HB   ARG  83           HB2      ARG  83  21.014   2.673   3.510
  676   2HB   ARG  83           HB3      ARG  83  20.733   0.937   3.523
  677   1HG   ARG  83           HG2      ARG  83  20.212   0.885   1.248
  678   2HG   ARG  83           HG3      ARG  83  19.961   2.631   1.175
  679   1HD   ARG  83           HD2      ARG  83  22.586   1.211   1.593
  680   2HD   ARG  83           HD3      ARG  83  22.061   2.035   0.126
  681    HE   ARG  83           HE       ARG  83  21.993   3.818   2.312
  682   1HH1  ARG  83          1HH1      ARG  83  24.232   2.175   0.208
  683   2HH1  ARG  83          2HH1      ARG  83  25.462   3.386   0.358
  684   1HH2  ARG  83          1HH2      ARG  83  23.604   5.418   2.514
  685   2HH2  ARG  83          2HH2      ARG  83  25.104   5.229   1.669
  686    H    GLY  84           H        GLY  84  17.929   0.746   5.455
  687   1HA   GLY  84           HA3      GLY  84  18.448   2.814   7.486
  688   2HA   GLY  84           HA2      GLY  84  18.993   1.167   7.767
  689    H    HIS  85           H        HIS  85  17.223   2.554   9.462
  690    HA   HIS  85           HA       HIS  85  15.158   0.633   9.709
  691   1HB   HIS  85           HB2      HIS  85  16.110   1.821  11.643
  692   2HB   HIS  85           HB3      HIS  85  15.420   3.328  11.052
  693    HD1  HIS  85           HD1      HIS  85  13.010   3.806  11.622
  694    HD2  HIS  85           HD2      HIS  85  14.164  -0.067  12.591
  695    HE1  HIS  85           HE1      HIS  85  11.109   2.853  12.963
  696    HE2  HIS  85           HE2      HIS  85  11.865   0.539  13.610
  697    H    HIS  86           H        HIS  86  13.376   0.504   8.580
  698    HA   HIS  86           HA       HIS  86  11.886   2.913   7.895
  699   1HB   HIS  86           HB2      HIS  86  12.763   0.870   5.840
  700   2HB   HIS  86           HB3      HIS  86  11.578   2.145   5.548
  701    HD1  HIS  86           HD1      HIS  86  12.744   4.645   6.403
  702    HD2  HIS  86           HD2      HIS  86  15.153   1.641   4.847
  703    HE1  HIS  86           HE1      HIS  86  14.844   5.795   5.641
  704    HE2  HIS  86           HE2      HIS  86  16.240   3.973   4.604
  705    H    THR  87           H        THR  87   9.702   2.263   6.872
  706    HA   THR  87           HA       THR  87   8.746  -0.373   7.518
  707    HB   THR  87           HB       THR  87   7.710   1.954   9.147
  708    HG1  THR  87           HG1      THR  87   9.652   1.306  10.018
  709   1HG2  THR  87          1HG2      THR  87   6.993  -0.980   9.184
  710   2HG2  THR  87          3HG2      THR  87   6.416   0.224  10.333
  711   3HG2  THR  87          2HG2      THR  87   5.963   0.340   8.633
  712    H    LEU  88           H        LEU  88   6.498  -0.690   6.999
  713    HA   LEU  88           HA       LEU  88   5.423   1.313   5.127
  714   1HB   LEU  88           HB2      LEU  88   6.045  -0.520   3.796
  715   2HB   LEU  88           HB3      LEU  88   5.506  -1.681   4.985
  716    HG   LEU  88           HG       LEU  88   3.132  -0.750   4.481
  717   1HD1  LEU  88          3HD1      LEU  88   3.884   1.175   3.178
  718   2HD1  LEU  88          2HD1      LEU  88   4.601   0.088   1.990
  719   3HD1  LEU  88          1HD1      LEU  88   2.854   0.107   2.226
  720   1HD2  LEU  88          1HD2      LEU  88   4.745  -2.521   2.682
  721   2HD2  LEU  88          3HD2      LEU  88   3.597  -2.978   3.936
  722   3HD2  LEU  88          2HD2      LEU  88   3.021  -2.257   2.434
  723    H    GLU  89           H        GLU  89   4.087   2.310   6.594
  724    HA   GLU  89           HA       GLU  89   2.428   0.890   8.406
  725   1HB   GLU  89           HB2      GLU  89   2.444   3.753   7.477
  726   2HB   GLU  89           HB3      GLU  89   1.350   3.141   8.709
  727   1HG   GLU  89           HG2      GLU  89   3.185   2.548  10.117
  728   2HG   GLU  89           HG3      GLU  89   4.345   3.012   8.874
  729    H    LEU  90           H        LEU  90   1.078  -0.543   7.367
  730    HA   LEU  90           HA       LEU  90  -0.884   0.644   5.520
  731   1HB   LEU  90           HB2      LEU  90   0.007  -2.210   5.887
  732   2HB   LEU  90           HB3      LEU  90  -1.457  -1.794   5.025
  733    HG   LEU  90           HG       LEU  90   1.335  -0.938   4.259
  734   1HD1  LEU  90          3HD1      LEU  90  -0.552  -2.944   3.036
  735   2HD1  LEU  90          2HD1      LEU  90   0.975  -2.419   2.329
  736   3HD1  LEU  90          1HD1      LEU  90   0.969  -3.297   3.857
  737   1HD2  LEU  90          3HD2      LEU  90  -1.323  -0.456   2.917
  738   2HD2  LEU  90          2HD2      LEU  90  -0.276   0.762   3.646
  739   3HD2  LEU  90          1HD2      LEU  90   0.253  -0.107   2.206
  740    H    VAL  91           H        VAL  91  -2.737   1.163   6.416
  741    HA   VAL  91           HA       VAL  91  -3.668  -0.412   8.728
  742    HB   VAL  91           HB       VAL  91  -2.973   1.852   9.359
  743   1HG1  VAL  91          2HG1      VAL  91  -5.040   2.729   7.345
  744   2HG1  VAL  91          1HG1      VAL  91  -4.297   3.794   8.542
  745   3HG1  VAL  91          3HG1      VAL  91  -3.301   3.032   7.301
  746   1HG2  VAL  91          2HG2      VAL  91  -5.958   1.440   9.476
  747   2HG2  VAL  91          1HG2      VAL  91  -4.766   0.818  10.620
  748   3HG2  VAL  91          3HG2      VAL  91  -5.039   2.556  10.486
  749    H    TYR  92           H        TYR  92  -5.953  -0.572   9.014
  750    HA   TYR  92           HA       TYR  92  -7.426  -0.679   6.490
  751   1HB   TYR  92           HB2      TYR  92  -7.254  -2.646   8.129
  752   2HB   TYR  92           HB3      TYR  92  -8.330  -1.727   9.175
  753    HD1  TYR  92           HD1      TYR  92 -10.338  -2.876   9.196
  754    HD2  TYR  92           HD2      TYR  92  -8.400  -2.189   5.471
  755    HE1  TYR  92           HE1      TYR  92 -12.283  -3.813   8.018
  756    HE2  TYR  92           HE2      TYR  92 -10.340  -3.121   4.284
  757    HH   TYR  92           HH       TYR  92 -13.323  -3.692   5.796
  758    H    THR  93           H        THR  93  -7.684   1.637   6.385
  759    HA   THR  93           HA       THR  93  -9.501   2.796   8.395
  760    HB   THR  93           HB       THR  93  -7.425   4.016   8.178
  761    HG1  THR  93           HG1      THR  93  -8.782   5.899   6.863
  762   1HG2  THR  93          1HG2      THR  93  -8.143   4.232   5.249
  763   2HG2  THR  93          3HG2      THR  93  -6.811   5.081   6.036
  764   3HG2  THR  93          2HG2      THR  93  -6.794   3.321   5.929
  765    H    ARG  94           H        ARG  94 -11.282   4.034   7.767
  766    HA   ARG  94           HA       ARG  94 -12.409   3.307   5.182
  767   1HB   ARG  94           HB2      ARG  94 -13.463   4.109   7.798
  768   2HB   ARG  94           HB3      ARG  94 -14.298   4.856   6.444
  769   1HG   ARG  94           HG2      ARG  94 -14.697   2.634   5.484
  770   2HG   ARG  94           HG3      ARG  94 -13.904   1.906   6.879
  771   1HD   ARG  94           HD2      ARG  94 -16.301   1.830   7.171
  772   2HD   ARG  94           HD3      ARG  94 -15.588   2.930   8.350
  773    HE   ARG  94           HE       ARG  94 -16.319   4.476   6.177
  774   1HH1  ARG  94          1HH1      ARG  94 -17.896   2.420   8.507
  775   2HH1  ARG  94          2HH1      ARG  94 -19.389   3.295   8.460
  776   1HH2  ARG  94          1HH2      ARG  94 -18.282   5.633   6.108
  777   2HH2  ARG  94          2HH2      ARG  94 -19.610   5.121   7.095
  778    HA   PRO  95           HA       PRO  95 -10.786   7.311   3.700
  779   1HB   PRO  95           HB2      PRO  95 -12.221   6.305   1.291
  780   2HB   PRO  95           HB3      PRO  95 -10.592   6.971   1.433
  781   1HG   PRO  95           HG2      PRO  95 -10.950   4.353   1.126
  782   2HG   PRO  95           HG3      PRO  95  -9.707   4.974   2.227
  783   1HD   PRO  95           HD2      PRO  95 -12.391   3.825   2.859
  784   2HD   PRO  95           HD3      PRO  95 -10.851   3.631   3.708
  785    H    PHE  96           H        PHE  96 -14.033   6.003   3.392
  786    HA   PHE  96           HA       PHE  96 -15.333   8.338   2.549
  787   1HB   PHE  96           HB2      PHE  96 -16.368   5.963   4.101
  788   2HB   PHE  96           HB3      PHE  96 -17.364   7.166   3.305
  789    HD1  PHE  96           HD1      PHE  96 -14.919   4.474   2.728
  790    HD2  PHE  96           HD2      PHE  96 -17.817   7.061   0.990
  791    HE1  PHE  96           HE1      PHE  96 -14.825   3.171   0.645
  792    HE2  PHE  96           HE2      PHE  96 -17.732   5.760  -1.096
  793    HZ   PHE  96           HZ       PHE  96 -16.235   3.812  -1.271
  794    H    GLU  97           H        GLU  97 -14.200   7.292   5.656
  795    HA   GLU  97           HA       GLU  97 -15.481   9.647   6.883
  796   1HB   GLU  97           HB2      GLU  97 -14.876   6.980   8.172
  797   2HB   GLU  97           HB3      GLU  97 -15.480   8.394   9.025
  798   1HG   GLU  97           HG2      GLU  97 -16.915   6.960   6.801
  799   2HG   GLU  97           HG3      GLU  97 -17.241   6.766   8.523
  800    H    GLY  98           H        GLY  98 -12.990   7.372   8.002
  801   1HA   GLY  98           HA3      GLY  98 -11.417   9.411   9.184
  802   2HA   GLY  98           HA2      GLY  98 -10.736   8.969   7.625
  803    H    ILE  99           H        ILE  99  -9.140   8.599   9.649
  804    HA   ILE  99           HA       ILE  99  -9.012   5.689   9.861
  805    HB   ILE  99           HB       ILE  99  -6.843   7.597  10.670
  806   1HG1  ILE  99          2HG1      ILE  99  -7.126   6.438   7.901
  807   2HG1  ILE  99          3HG1      ILE  99  -7.747   8.037   8.308
  808   1HG2  ILE  99          1HG2      ILE  99  -7.001   4.710   9.866
  809   2HG2  ILE  99          3HG2      ILE  99  -5.477   5.596   9.821
  810   3HG2  ILE  99          2HG2      ILE  99  -6.345   5.410  11.347
  811   1HD1  ILE  99          1HD1      ILE  99  -5.488   8.736   8.932
  812   2HD1  ILE  99          3HD1      ILE  99  -4.878   7.136   8.510
  813   3HD1  ILE  99          2HD1      ILE  99  -5.563   8.177   7.262
  814    H    LYS 100           H        LYS 100  -8.958   4.605  11.778
  815    HA   LYS 100           HA       LYS 100  -9.110   6.184  14.254
  816   1HB   LYS 100           HB2      LYS 100 -10.784   3.727  13.988
  817   2HB   LYS 100           HB3      LYS 100 -11.038   5.146  14.991
  818   1HG   LYS 100           HG2      LYS 100 -11.663   6.440  13.016
  819   2HG   LYS 100           HG3      LYS 100 -11.425   5.009  12.010
  820   1HD   LYS 100           HD2      LYS 100 -13.456   4.244  12.506
  821   2HD   LYS 100           HD3      LYS 100 -13.152   4.410  14.237
  822   1HE   LYS 100           HE2      LYS 100 -13.737   6.785  14.102
  823   2HE   LYS 100           HE3      LYS 100 -14.065   6.603  12.378
  824   1HZ   LYS 100           HZ2      LYS 100 -15.508   5.209  14.569
  825   2HZ   LYS 100           HZ1      LYS 100 -16.097   6.520  13.678
  826   3HZ   LYS 100           HZ3      LYS 100 -15.823   5.033  12.916
  827    HA   PRO 101           HA       PRO 101  -6.337   3.224  15.991
  828   1HB   PRO 101           HB2      PRO 101  -7.839   2.967  18.476
  829   2HB   PRO 101           HB3      PRO 101  -6.306   3.788  18.186
  830   1HG   PRO 101           HG2      PRO 101  -8.598   5.113  18.757
  831   2HG   PRO 101           HG3      PRO 101  -7.323   5.789  17.734
  832   1HD   PRO 101           HD2      PRO 101  -9.903   4.496  16.935
  833   2HD   PRO 101           HD3      PRO 101  -9.126   5.951  16.275
  834    H    GLU 102           H        GLU 102  -9.725   2.375  16.658
  835    HA   GLU 102           HA       GLU 102  -9.331  -0.332  17.217
  836   1HB   GLU 102           HB2      GLU 102 -11.736  -0.588  16.575
  837   2HB   GLU 102           HB3      GLU 102 -11.420   0.670  17.764
  838   1HG   GLU 102           HG2      GLU 102 -11.503   2.347  16.003
  839   2HG   GLU 102           HG3      GLU 102 -11.837   1.086  14.821
  840    H    ASN 103           H        ASN 103  -9.097   1.360  14.279
  841    HA   ASN 103           HA       ASN 103  -9.839  -0.594  12.414
  842   1HB   ASN 103           HB2      ASN 103  -7.834   1.660  12.267
  843   2HB   ASN 103           HB3      ASN 103  -8.247   0.655  10.884
  844   1HD2  ASN 103          1HD2      ASN 103 -10.704   1.347  13.198
  845   2HD2  ASN 103          2HD2      ASN 103 -11.573   2.496  12.248
  846    H    GLU 104           H        GLU 104  -8.627  -2.125  11.254
  847    HA   GLU 104           HA       GLU 104  -6.760  -3.599  12.713
  848   1HB   GLU 104           HB2      GLU 104  -7.958  -3.681  10.043
  849   2HB   GLU 104           HB3      GLU 104  -6.358  -4.391  10.136
  850   1HG   GLU 104           HG2      GLU 104  -7.830  -6.157  10.540
  851   2HG   GLU 104           HG3      GLU 104  -7.221  -5.703  12.128
  852    H    ARG 105           H        ARG 105  -4.556  -4.203  11.804
  853    HA   ARG 105           HA       ARG 105  -3.159  -1.826  10.774
  854   1HB   ARG 105           HB2      ARG 105  -2.861  -1.935  13.209
  855   2HB   ARG 105           HB3      ARG 105  -2.270  -3.579  13.073
  856   1HG   ARG 105           HG2      ARG 105  -0.294  -2.440  13.270
  857   2HG   ARG 105           HG3      ARG 105  -0.478  -2.485  11.511
  858   1HD   ARG 105           HD2      ARG 105   0.120  -0.255  12.149
  859   2HD   ARG 105           HD3      ARG 105  -1.561  -0.256  11.613
  860    HE   ARG 105           HE       ARG 105  -1.541  -0.639  14.373
  861   1HH1  ARG 105          1HH1      ARG 105  -0.710   1.831  12.057
  862   2HH1  ARG 105          2HH1      ARG 105  -1.036   3.140  13.143
  863   1HH2  ARG 105          1HH2      ARG 105  -1.974   1.082  15.809
  864   2HH2  ARG 105          2HH2      ARG 105  -1.754   2.715  15.276
  865    H    TYR 106           H        TYR 106  -1.011  -2.301   9.921
  866    HA   TYR 106           HA       TYR 106  -0.053  -4.911   9.463
  867   1HB   TYR 106           HB2      TYR 106  -2.012  -4.889   7.886
  868   2HB   TYR 106           HB3      TYR 106  -1.207  -3.594   6.999
  869    HD1  TYR 106           HD1      TYR 106  -1.135  -7.139   7.905
  870    HD2  TYR 106           HD2      TYR 106   0.699  -4.083   5.587
  871    HE1  TYR 106           HE1      TYR 106   0.070  -8.844   6.625
  872    HE2  TYR 106           HE2      TYR 106   1.914  -5.785   4.296
  873    HH   TYR 106           HH       TYR 106   2.667  -8.121   4.575
  874    H    THR 107           H        THR 107   1.440  -3.325  10.532
  875    HA   THR 107           HA       THR 107   2.753  -1.436   8.772
  876    HB   THR 107           HB       THR 107   4.112  -1.933  11.292
  877    HG1  THR 107           HG1      THR 107   2.376  -1.197  12.608
  878   1HG2  THR 107          3HG2      THR 107   4.273   0.097   9.831
  879   2HG2  THR 107          2HG2      THR 107   2.632   0.511  10.322
  880   3HG2  THR 107          1HG2      THR 107   3.921   0.445  11.524
  881    H    LEU 108           H        LEU 108   3.757  -2.701   7.198
  882    HA   LEU 108           HA       LEU 108   5.426  -4.911   7.847
  883   1HB   LEU 108           HB2      LEU 108   4.550  -4.916   5.671
  884   2HB   LEU 108           HB3      LEU 108   5.020  -3.260   5.375
  885    HG   LEU 108           HG       LEU 108   7.371  -3.928   5.244
  886   1HD1  LEU 108          2HD1      LEU 108   7.271  -5.801   6.823
  887   2HD1  LEU 108          1HD1      LEU 108   6.360  -6.737   5.638
  888   3HD1  LEU 108          3HD1      LEU 108   8.023  -6.262   5.294
  889   1HD2  LEU 108          1HD2      LEU 108   5.976  -3.950   3.222
  890   2HD2  LEU 108          3HD2      LEU 108   7.269  -5.148   3.160
  891   3HD2  LEU 108          2HD2      LEU 108   5.616  -5.653   3.508
  892    H    HIS 109           H        HIS 109   6.892  -4.269   9.394
  893    HA   HIS 109           HA       HIS 109   8.577  -1.977   9.008
  894   1HB   HIS 109           HB2      HIS 109   8.381  -4.120  11.067
  895   2HB   HIS 109           HB3      HIS 109   9.804  -3.088  11.011
  896    HD1  HIS 109           HD1      HIS 109   9.578  -0.752  11.945
  897    HD2  HIS 109           HD2      HIS 109   5.942  -2.743  11.663
  898    HE1  HIS 109           HE1      HIS 109   7.918   0.709  13.141
  899    HE2  HIS 109           HE2      HIS 109   5.740  -0.555  13.026
  900    H    LEU 110           H        LEU 110  10.663  -1.903   8.415
  901    HA   LEU 110           HA       LEU 110  12.023  -4.339   7.579
  902   1HB   LEU 110           HB2      LEU 110  11.457  -2.005   5.752
  903   2HB   LEU 110           HB3      LEU 110  12.555  -3.313   5.369
  904    HG   LEU 110           HG       LEU 110   9.577  -3.598   5.825
  905   1HD1  LEU 110          1HD1      LEU 110  11.202  -3.662   3.286
  906   2HD1  LEU 110          3HD1      LEU 110   9.482  -4.034   3.413
  907   3HD1  LEU 110          2HD1      LEU 110  10.062  -2.406   3.766
  908   1HD2  LEU 110          3HD2      LEU 110  10.984  -5.576   6.443
  909   2HD2  LEU 110          2HD2      LEU 110   9.812  -5.869   5.159
  910   3HD2  LEU 110          1HD2      LEU 110  11.512  -5.640   4.764
  911    H    ASN 111           H        ASN 111  13.863  -4.162   8.735
  912    HA   ASN 111           HA       ASN 111  15.138  -1.588   9.117
  913   1HB   ASN 111           HB2      ASN 111  15.112  -3.325  10.919
  914   2HB   ASN 111           HB3      ASN 111  16.124  -4.344   9.903
  915   1HD2  ASN 111          1HD2      ASN 111  18.278  -3.852   9.642
  916   2HD2  ASN 111          2HD2      ASN 111  19.092  -2.676  10.610
  917    H    VAL 112           H        VAL 112  15.075  -1.608   6.646
  918    HA   VAL 112           HA       VAL 112  16.500  -3.085   4.908
  919    HB   VAL 112           HB       VAL 112  16.735  -0.092   4.774
  920   1HG1  VAL 112          3HG1      VAL 112  17.797  -1.407   3.018
  921   2HG1  VAL 112          2HG1      VAL 112  16.265  -2.220   2.696
  922   3HG1  VAL 112          1HG1      VAL 112  16.429  -0.492   2.384
  923   1HG2  VAL 112          1HG2      VAL 112  14.259  -1.755   4.365
  924   2HG2  VAL 112          3HG2      VAL 112  14.475  -0.377   5.444
  925   3HG2  VAL 112          2HG2      VAL 112  14.458  -0.137   3.697
  926    H    LYS 113           H        LYS 113  18.580  -3.357   4.244
  927    HA   LYS 113           HA       LYS 113  20.653  -2.735   6.124
  928   1HB   LYS 113           HB2      LYS 113  20.716  -4.091   3.424
  929   2HB   LYS 113           HB3      LYS 113  22.108  -3.941   4.488
  930   1HG   LYS 113           HG2      LYS 113  19.548  -5.317   5.260
  931   2HG   LYS 113           HG3      LYS 113  20.959  -6.141   4.594
  932   1HD   LYS 113           HD2      LYS 113  22.311  -5.399   6.470
  933   2HD   LYS 113           HD3      LYS 113  20.943  -4.493   7.121
  934   1HE   LYS 113           HE2      LYS 113  21.223  -6.614   8.286
  935   2HE   LYS 113           HE3      LYS 113  19.697  -6.569   7.407
  936   1HZ   LYS 113           HZ2      LYS 113  22.177  -7.916   6.485
  937   2HZ   LYS 113           HZ1      LYS 113  20.818  -8.689   7.130
  938   3HZ   LYS 113           HZ3      LYS 113  20.707  -7.879   5.649

  No H/Q in entry =         938
  Start of MODEL   16
    1    H1   GLY  -2           HT1      GLY  -2 -11.360 -12.840  -0.964
    2    H2   GLY  -2           HT3      GLY  -2 -10.175 -12.640   0.228
    3    H3   GLY  -2           HT2      GLY  -2  -9.733 -13.121  -1.331
    4   1HA   GLY  -2           HA2      GLY  -2  -9.672 -15.002   0.174
    5   2HA   GLY  -2           HA3      GLY  -2 -10.896 -15.212  -1.068
    6    H    SER  -1           H        SER  -1 -10.263 -14.939   2.289
    7    HA   SER  -1           HA       SER  -1 -13.106 -15.428   2.840
    8   1HB   SER  -1           HB2      SER  -1 -11.582 -17.199   3.577
    9   2HB   SER  -1           HB3      SER  -1 -10.665 -16.030   4.527
   10    HG   SER  -1           HG       SER  -1 -12.619 -15.662   5.727
   11    H    HIS   0           H        HIS   0 -10.354 -13.930   4.545
   12    HA   HIS   0           HA       HIS   0 -10.172 -12.056   5.812
   13   1HB   HIS   0           HB2      HIS   0 -10.915 -10.919   3.759
   14   2HB   HIS   0           HB3      HIS   0 -12.593 -11.139   4.245
   15    HD1  HIS   0           HD1      HIS   0 -13.582  -9.417   5.785
   16    HD2  HIS   0           HD2      HIS   0  -9.457  -9.069   5.428
   17    HE1  HIS   0           HE1      HIS   0 -12.986  -7.265   6.940
   18    HE2  HIS   0           HE2      HIS   0 -10.475  -7.118   6.784
   19    H    MET   1           H        MET   1 -13.690 -11.851   5.529
   20    HA   MET   1           HA       MET   1 -15.352 -11.910   7.077
   21   1HB   MET   1           HB2      MET   1 -13.526 -13.906   8.426
   22   2HB   MET   1           HB3      MET   1 -15.224 -13.660   8.809
   23   1HG   MET   1           HG2      MET   1 -15.835 -14.363   6.550
   24   2HG   MET   1           HG3      MET   1 -14.132 -14.612   6.170
   25   1HE   MET   1           HE2      MET   1 -17.188 -15.811   8.316
   26   2HE   MET   1           HE1      MET   1 -16.464 -17.092   9.288
   27   3HE   MET   1           HE3      MET   1 -15.994 -15.413   9.552
   28    H    ILE   2           H        ILE   2 -15.548 -12.000   9.743
   29    HA   ILE   2           HA       ILE   2 -13.851  -9.764  10.643
   30    HB   ILE   2           HB       ILE   2 -16.653 -10.422  11.564
   31   1HG1  ILE   2          2HG1      ILE   2 -15.706  -8.175   9.770
   32   2HG1  ILE   2          3HG1      ILE   2 -16.538  -9.620   9.208
   33   1HG2  ILE   2          3HG2      ILE   2 -15.311  -9.327  13.274
   34   2HG2  ILE   2          2HG2      ILE   2 -14.877  -8.051  12.136
   35   3HG2  ILE   2          1HG2      ILE   2 -16.551  -8.232  12.662
   36   1HD1  ILE   2          1HD1      ILE   2 -18.498  -9.001  10.524
   37   2HD1  ILE   2          3HD1      ILE   2 -17.664  -7.547  11.073
   38   3HD1  ILE   2          2HD1      ILE   2 -18.059  -7.746   9.365
   39    H    ALA   3           H        ALA   3 -15.140 -12.906  11.402
   40    HA   ALA   3           HA       ALA   3 -14.604 -13.023  14.144
   41   1HB   ALA   3           HB3      ALA   3 -15.947 -14.692  12.960
   42   2HB   ALA   3           HB2      ALA   3 -14.500 -15.272  12.136
   43   3HB   ALA   3           HB1      ALA   3 -14.648 -15.446  13.884
   44    HA   PRO   4           HA       PRO   4 -10.201 -13.139  14.465
   45   1HB   PRO   4           HB2      PRO   4 -10.466 -15.130  16.617
   46   2HB   PRO   4           HB3      PRO   4  -9.830 -13.484  16.683
   47   1HG   PRO   4           HG2      PRO   4 -12.189 -14.128  17.788
   48   2HG   PRO   4           HG3      PRO   4 -11.914 -12.551  17.025
   49   1HD   PRO   4           HD2      PRO   4 -13.341 -14.956  15.948
   50   2HD   PRO   4           HD3      PRO   4 -13.782 -13.239  15.833
   51    H    LEU   5           H        LEU   5 -12.004 -15.745  13.456
   52    HA   LEU   5           HA       LEU   5 -10.284 -17.927  13.577
   53   1HB   LEU   5           HB2      LEU   5 -12.209 -17.194  11.370
   54   2HB   LEU   5           HB3      LEU   5 -11.494 -18.776  11.602
   55    HG   LEU   5           HG       LEU   5 -13.372 -17.403  13.530
   56   1HD1  LEU   5          2HD1      LEU   5 -14.494 -18.112  11.489
   57   2HD1  LEU   5          1HD1      LEU   5 -13.814 -19.730  11.664
   58   3HD1  LEU   5          3HD1      LEU   5 -14.968 -19.125  12.852
   59   1HD2  LEU   5          2HD2      LEU   5 -12.162 -20.165  13.584
   60   2HD2  LEU   5          1HD2      LEU   5 -11.790 -18.840  14.686
   61   3HD2  LEU   5          3HD2      LEU   5 -13.398 -19.564  14.689
   62    H    SER   6           H        SER   6 -10.264 -15.151  11.454
   63    HA   SER   6           HA       SER   6  -8.199 -16.295   9.758
   64   1HB   SER   6           HB2      SER   6  -9.948 -14.942   8.704
   65   2HB   SER   6           HB3      SER   6  -9.505 -13.563   9.710
   66    HG   SER   6           HG       SER   6  -8.223 -14.638   7.491
   67    H    VAL   7           H        VAL   7  -6.084 -15.596   9.653
   68    HA   VAL   7           HA       VAL   7  -4.871 -14.741  12.028
   69    HB   VAL   7           HB       VAL   7  -2.812 -14.471  10.700
   70   1HG1  VAL   7          2HG1      VAL   7  -3.460 -16.685  11.484
   71   2HG1  VAL   7          1HG1      VAL   7  -4.403 -16.941  10.015
   72   3HG1  VAL   7          3HG1      VAL   7  -2.648 -16.786   9.921
   73   1HG2  VAL   7          3HG2      VAL   7  -4.612 -14.998   8.337
   74   2HG2  VAL   7          2HG2      VAL   7  -3.755 -13.496   8.687
   75   3HG2  VAL   7          1HG2      VAL   7  -2.850 -14.957   8.289
   76    H    LYS   8           H        LYS   8  -4.290 -12.788  12.817
   77    HA   LYS   8           HA       LYS   8  -5.075 -10.437  11.258
   78   1HB   LYS   8           HB2      LYS   8  -5.215  -9.285  13.415
   79   2HB   LYS   8           HB3      LYS   8  -6.284 -10.670  13.338
   80   1HG   LYS   8           HG2      LYS   8  -3.574 -10.951  14.549
   81   2HG   LYS   8           HG3      LYS   8  -4.888 -10.227  15.478
   82   1HD   LYS   8           HD2      LYS   8  -6.249 -12.235  15.101
   83   2HD   LYS   8           HD3      LYS   8  -4.917 -12.960  14.199
   84   1HE   LYS   8           HE2      LYS   8  -3.507 -12.859  16.193
   85   2HE   LYS   8           HE3      LYS   8  -4.833 -12.128  17.096
   86   1HZ   LYS   8           HZ3      LYS   8  -4.864 -14.835  15.876
   87   2HZ   LYS   8           HZ2      LYS   8  -4.670 -14.499  17.522
   88   3HZ   LYS   8           HZ1      LYS   8  -6.131 -14.134  16.751
   89    H    ASP   9           H        ASP   9  -2.456 -12.160  12.128
   90    HA   ASP   9           HA       ASP   9  -0.454 -10.663  13.088
   91   1HB   ASP   9           HB2      ASP   9  -0.172 -12.947  12.143
   92   2HB   ASP   9           HB3      ASP   9  -0.200 -12.250  10.526
   93    H    ASN  10           H        ASN  10   0.290  -8.678  12.741
   94    HA   ASN  10           HA       ASN  10   0.051  -7.551  10.045
   95   1HB   ASN  10           HB2      ASN  10  -0.182  -5.328  11.403
   96   2HB   ASN  10           HB3      ASN  10  -1.581  -6.353  11.136
   97   1HD2  ASN  10          1HD2      ASN  10  -0.721  -4.377  13.230
   98   2HD2  ASN  10          2HD2      ASN  10  -0.993  -5.207  14.715
   99    H    ASP  11           H        ASP  11   1.275  -5.803  12.737
  100    HA   ASP  11           HA       ASP  11   3.445  -4.688  11.678
  101   1HB   ASP  11           HB2      ASP  11   3.374  -5.754  14.498
  102   2HB   ASP  11           HB3      ASP  11   4.324  -4.401  13.899
  103    H    LYS  12           H        LYS  12   4.709  -5.789  10.316
  104    HA   LYS  12           HA       LYS  12   6.104  -8.181  11.252
  105   1HB   LYS  12           HB2      LYS  12   5.461  -7.028   8.601
  106   2HB   LYS  12           HB3      LYS  12   6.998  -7.872   8.730
  107   1HG   LYS  12           HG2      LYS  12   5.527  -9.732   9.843
  108   2HG   LYS  12           HG3      LYS  12   4.225  -8.925   8.965
  109   1HD   LYS  12           HD2      LYS  12   5.128 -10.722   7.616
  110   2HD   LYS  12           HD3      LYS  12   5.517  -9.167   6.877
  111   1HE   LYS  12           HE2      LYS  12   7.766  -9.270   7.854
  112   2HE   LYS  12           HE3      LYS  12   7.374 -10.832   8.574
  113   1HZ   LYS  12           HZ3      LYS  12   7.066 -11.739   6.356
  114   2HZ   LYS  12           HZ2      LYS  12   7.442 -10.242   5.664
  115   3HZ   LYS  12           HZ1      LYS  12   8.621 -11.095   6.527
  116    H    TRP  13           H        TRP  13   7.546  -7.203  12.704
  117    HA   TRP  13           HA       TRP  13   9.300  -5.104  11.878
  118   1HB   TRP  13           HB2      TRP  13   9.681  -6.830  14.305
  119   2HB   TRP  13           HB3      TRP  13  10.084  -5.135  14.074
  120    HD1  TRP  13           HD1      TRP  13   7.032  -7.402  14.657
  121    HE1  TRP  13           HE1      TRP  13   5.114  -5.977  15.608
  122    HE3  TRP  13           HE3      TRP  13   9.214  -2.785  14.354
  123    HZ2  TRP  13           HZ2      TRP  13   4.573  -3.254  16.142
  124    HZ3  TRP  13           HZ3      TRP  13   7.933  -0.825  15.115
  125    HH2  TRP  13           HH2      TRP  13   5.668  -1.057  15.996
  126    H    VAL  14           H        VAL  14  10.617  -5.690  10.201
  127    HA   VAL  14           HA       VAL  14  12.649  -7.704  10.834
  128    HB   VAL  14           HB       VAL  14  12.445  -8.779   8.609
  129   1HG1  VAL  14          3HG1      VAL  14  11.491  -9.853  10.573
  130   2HG1  VAL  14          2HG1      VAL  14   9.983  -8.969  10.339
  131   3HG1  VAL  14          1HG1      VAL  14  10.499 -10.162   9.149
  132   1HG2  VAL  14          3HG2      VAL  14   9.875  -7.209   8.445
  133   2HG2  VAL  14          2HG2      VAL  14  11.295  -7.015   7.415
  134   3HG2  VAL  14          1HG2      VAL  14  10.351  -8.503   7.345
  135    H    ASP  15           H        ASP  15  14.018  -7.885   8.558
  136    HA   ASP  15           HA       ASP  15  14.815  -5.111   7.975
  137   1HB   ASP  15           HB2      ASP  15  17.072  -5.854   7.793
  138   2HB   ASP  15           HB3      ASP  15  16.422  -6.572   9.266
  139    H    THR  16           H        THR  16  16.315  -5.240   5.816
  140    HA   THR  16           HA       THR  16  15.509  -7.025   3.782
  141    HB   THR  16           HB       THR  16  13.393  -5.606   4.198
  142    HG1  THR  16           HG1      THR  16  14.292  -5.534   1.516
  143   1HG2  THR  16          1HG2      THR  16  14.566  -3.429   4.246
  144   2HG2  THR  16          3HG2      THR  16  14.966  -3.638   2.542
  145   3HG2  THR  16          2HG2      THR  16  13.282  -3.488   3.040
  146    H    HIS  17           H        HIS  17  15.789  -5.714   1.504
  147    HA   HIS  17           HA       HIS  17  18.361  -4.294   1.737
  148   1HB   HIS  17           HB2      HIS  17  17.381  -6.080  -0.501
  149   2HB   HIS  17           HB3      HIS  17  18.901  -5.192  -0.505
  150    HD1  HIS  17           HD1      HIS  17  17.444  -8.374   0.470
  151    HD2  HIS  17           HD2      HIS  17  20.734  -6.099   1.596
  152    HE1  HIS  17           HE1      HIS  17  18.961  -9.952   1.706
  153    HE2  HIS  17           HE2      HIS  17  20.904  -8.533   2.454
  154    H    VAL  18           H        VAL  18  18.661  -3.248  -0.730
  155    HA   VAL  18           HA       VAL  18  16.732  -1.120  -0.697
  156    HB   VAL  18           HB       VAL  18  19.082  -0.629  -1.128
  157   1HG1  VAL  18          3HG1      VAL  18  19.697  -2.663  -2.313
  158   2HG1  VAL  18          2HG1      VAL  18  18.695  -2.184  -3.684
  159   3HG1  VAL  18          1HG1      VAL  18  20.123  -1.238  -3.261
  160   1HG2  VAL  18          1HG2      VAL  18  17.377   0.891  -1.996
  161   2HG2  VAL  18          3HG2      VAL  18  18.786   0.842  -3.057
  162   3HG2  VAL  18          2HG2      VAL  18  17.319  -0.028  -3.502
  163    H    GLY  19           H        GLY  19  15.104  -0.707  -2.031
  164   1HA   GLY  19           HA3      GLY  19  14.764  -1.627  -4.654
  165   2HA   GLY  19           HA2      GLY  19  13.500  -0.988  -3.623
  166    H    LYS  20           H        LYS  20  14.369  -3.386  -1.751
  167    HA   LYS  20           HA       LYS  20  13.658  -5.752  -3.037
  168   1HB   LYS  20           HB2      LYS  20  14.516  -5.191  -0.570
  169   2HB   LYS  20           HB3      LYS  20  12.813  -5.373  -0.211
  170   1HG   LYS  20           HG2      LYS  20  13.638  -7.491   0.150
  171   2HG   LYS  20           HG3      LYS  20  13.014  -7.597  -1.501
  172   1HD   LYS  20           HD2      LYS  20  15.152  -7.437  -2.437
  173   2HD   LYS  20           HD3      LYS  20  15.840  -6.826  -0.933
  174   1HE   LYS  20           HE2      LYS  20  14.822  -9.623  -1.437
  175   2HE   LYS  20           HE3      LYS  20  16.513  -9.139  -1.304
  176   1HZ   LYS  20           HZ1      LYS  20  16.091  -8.469   0.988
  177   2HZ   LYS  20           HZ3      LYS  20  14.482  -8.972   0.857
  178   3HZ   LYS  20           HZ2      LYS  20  15.733 -10.105   0.754
  179    H    THR  21           H        THR  21  11.939  -5.217  -4.440
  180    HA   THR  21           HA       THR  21   9.522  -4.046  -3.731
  181    HB   THR  21           HB       THR  21   9.671  -6.222  -5.799
  182    HG1  THR  21           HG1      THR  21  11.496  -4.830  -6.073
  183   1HG2  THR  21          2HG2      THR  21   7.499  -5.148  -5.331
  184   2HG2  THR  21          1HG2      THR  21   8.207  -3.580  -5.710
  185   3HG2  THR  21          3HG2      THR  21   8.068  -4.811  -6.966
  186    H    THR  22           H        THR  22   8.505  -4.733  -1.934
  187    HA   THR  22           HA       THR  22   7.956  -7.590  -1.612
  188    HB   THR  22           HB       THR  22   7.452  -5.288   0.291
  189    HG1  THR  22           HG1      THR  22   9.393  -5.704   1.048
  190   1HG2  THR  22          3HG2      THR  22   7.187  -8.271   0.694
  191   2HG2  THR  22          2HG2      THR  22   7.061  -7.057   1.967
  192   3HG2  THR  22          1HG2      THR  22   5.870  -7.098   0.668
  193    H    GLU  23           H        GLU  23   6.288  -8.180  -2.829
  194    HA   GLU  23           HA       GLU  23   4.038  -6.513  -3.347
  195   1HB   GLU  23           HB2      GLU  23   4.904  -8.211  -4.932
  196   2HB   GLU  23           HB3      GLU  23   4.408  -9.474  -3.814
  197   1HG   GLU  23           HG2      GLU  23   2.093  -8.871  -4.074
  198   2HG   GLU  23           HG3      GLU  23   2.545  -7.479  -5.058
  199    H    ILE  24           H        ILE  24   2.473  -6.139  -1.969
  200    HA   ILE  24           HA       ILE  24   1.778  -8.234  -0.024
  201    HB   ILE  24           HB       ILE  24   1.342  -5.269   0.191
  202   1HG1  ILE  24          2HG1      ILE  24   3.281  -7.053   1.673
  203   2HG1  ILE  24          3HG1      ILE  24   3.720  -5.946   0.375
  204   1HG2  ILE  24          2HG2      ILE  24  -0.386  -6.565   1.325
  205   2HG2  ILE  24          1HG2      ILE  24   0.854  -7.468   2.194
  206   3HG2  ILE  24          3HG2      ILE  24   0.651  -5.741   2.490
  207   1HD1  ILE  24          3HD1      ILE  24   2.552  -5.164   3.032
  208   2HD1  ILE  24          2HD1      ILE  24   4.240  -5.009   2.548
  209   3HD1  ILE  24          1HD1      ILE  24   2.999  -4.059   1.733
  210    H    HIS  25           H        HIS  25   0.179  -9.311  -1.023
  211    HA   HIS  25           HA       HIS  25  -2.090  -7.819  -2.114
  212   1HB   HIS  25           HB2      HIS  25  -1.095 -10.631  -2.434
  213   2HB   HIS  25           HB3      HIS  25  -2.769 -10.246  -2.791
  214    HD1  HIS  25           HD1      HIS  25  -2.519 -10.684  -5.302
  215    HD2  HIS  25           HD2      HIS  25   0.063  -7.771  -3.848
  216    HE1  HIS  25           HE1      HIS  25  -1.537  -9.580  -7.338
  217    HE2  HIS  25           HE2      HIS  25  -0.043  -7.765  -6.433
  218    H    LEU  26           H        LEU  26  -3.458  -7.284  -0.520
  219    HA   LEU  26           HA       LEU  26  -3.924  -9.191   1.659
  220   1HB   LEU  26           HB2      LEU  26  -4.871  -6.350   1.343
  221   2HB   LEU  26           HB3      LEU  26  -5.038  -7.335   2.783
  222    HG   LEU  26           HG       LEU  26  -2.363  -6.565   1.616
  223   1HD1  LEU  26          1HD1      LEU  26  -3.939  -5.215   3.802
  224   2HD1  LEU  26          3HD1      LEU  26  -2.257  -4.874   3.397
  225   3HD1  LEU  26          2HD1      LEU  26  -3.531  -4.535   2.227
  226   1HD2  LEU  26          2HD2      LEU  26  -2.413  -8.546   3.083
  227   2HD2  LEU  26          1HD2      LEU  26  -1.502  -7.207   3.780
  228   3HD2  LEU  26          3HD2      LEU  26  -3.130  -7.559   4.357
  229    H    LYS  27           H        LYS  27  -6.172  -9.484   2.424
  230    HA   LYS  27           HA       LYS  27  -7.973  -9.779   0.126
  231   1HB   LYS  27           HB2      LYS  27  -8.315 -11.027   2.848
  232   2HB   LYS  27           HB3      LYS  27  -9.113 -11.476   1.350
  233   1HG   LYS  27           HG2      LYS  27  -6.157 -11.761   1.835
  234   2HG   LYS  27           HG3      LYS  27  -7.337 -13.054   2.058
  235   1HD   LYS  27           HD2      LYS  27  -7.970 -12.876  -0.304
  236   2HD   LYS  27           HD3      LYS  27  -6.781 -11.590  -0.523
  237   1HE   LYS  27           HE2      LYS  27  -6.188 -14.430   0.299
  238   2HE   LYS  27           HE3      LYS  27  -5.924 -13.741  -1.303
  239   1HZ   LYS  27           HZ2      LYS  27  -4.341 -12.192  -0.333
  240   2HZ   LYS  27           HZ1      LYS  27  -4.592 -12.859   1.200
  241   3HZ   LYS  27           HZ3      LYS  27  -3.882 -13.790  -0.022
  242    H    GLY  28           H        GLY  28 -10.317  -9.461   0.591
  243   1HA   GLY  28           HA3      GLY  28 -10.625  -6.953   2.084
  244   2HA   GLY  28           HA2      GLY  28 -11.694  -8.289   2.470
  245    H    ASN  29           H        ASN  29 -12.220  -5.583   1.350
  246    HA   ASN  29           HA       ASN  29 -12.932  -5.797  -1.371
  247   1HB   ASN  29           HB2      ASN  29 -15.440  -5.856  -1.006
  248   2HB   ASN  29           HB3      ASN  29 -14.596  -7.380  -0.748
  249   1HD2  ASN  29          1HD2      ASN  29 -17.165  -6.386   0.275
  250   2HD2  ASN  29          2HD2      ASN  29 -17.056  -6.502   1.995
  251    HA   PRO  30           HA       PRO  30 -13.387  -1.458  -0.477
  252   1HB   PRO  30           HB2      PRO  30 -14.007  -0.563  -2.919
  253   2HB   PRO  30           HB3      PRO  30 -12.407  -1.227  -2.569
  254   1HG   PRO  30           HG2      PRO  30 -14.745  -2.523  -3.919
  255   2HG   PRO  30           HG3      PRO  30 -13.028  -2.585  -4.354
  256   1HD   PRO  30           HD2      PRO  30 -14.343  -4.558  -2.960
  257   2HD   PRO  30           HD3      PRO  30 -12.595  -4.273  -2.872
  258    H    THR  31           H        THR  31 -15.919  -3.531  -1.195
  259    HA   THR  31           HA       THR  31 -17.993  -1.548  -1.492
  260    HB   THR  31           HB       THR  31 -19.547  -3.462  -1.413
  261    HG1  THR  31           HG1      THR  31 -18.859  -5.449  -0.903
  262   1HG2  THR  31          1HG2      THR  31 -18.530  -2.826  -3.546
  263   2HG2  THR  31          3HG2      THR  31 -17.166  -3.896  -3.220
  264   3HG2  THR  31          2HG2      THR  31 -18.778  -4.570  -3.460
  265    H    THR  32           H        THR  32 -16.854  -3.728   1.062
  266    HA   THR  32           HA       THR  32 -18.865  -3.331   2.929
  267    HB   THR  32           HB       THR  32 -17.281  -5.013   3.413
  268    HG1  THR  32           HG1      THR  32 -16.389  -3.162   5.309
  269   1HG2  THR  32          2HG2      THR  32 -15.179  -2.851   3.323
  270   2HG2  THR  32          1HG2      THR  32 -14.892  -4.509   3.852
  271   3HG2  THR  32          3HG2      THR  32 -15.377  -4.186   2.187
  272    H    GLY  33           H        GLY  33 -15.945  -1.382   2.360
  273   1HA   GLY  33           HA3      GLY  33 -16.874   0.543   4.367
  274   2HA   GLY  33           HA2      GLY  33 -16.732   1.093   2.707
  275    H    TYR  34           H        TYR  34 -14.763  -0.691   5.096
  276    HA   TYR  34           HA       TYR  34 -12.731   1.232   5.211
  277   1HB   TYR  34           HB2      TYR  34 -12.707  -1.710   5.875
  278   2HB   TYR  34           HB3      TYR  34 -11.343  -0.641   6.188
  279    HD1  TYR  34           HD1      TYR  34 -14.865  -1.332   7.062
  280    HD2  TYR  34           HD2      TYR  34 -11.329   0.817   8.079
  281    HE1  TYR  34           HE1      TYR  34 -15.867  -0.715   9.221
  282    HE2  TYR  34           HE2      TYR  34 -12.326   1.436  10.238
  283    HH   TYR  34           HH       TYR  34 -15.133  -0.025  11.461
  284    H    MET  35           H        MET  35 -10.366   0.517   4.758
  285    HA   MET  35           HA       MET  35 -10.014  -0.759   2.178
  286   1HB   MET  35           HB2      MET  35 -10.143   1.360   1.277
  287   2HB   MET  35           HB3      MET  35  -9.653   2.137   2.776
  288   1HG   MET  35           HG2      MET  35  -7.344   1.310   2.375
  289   2HG   MET  35           HG3      MET  35  -7.883   0.727   0.816
  290   1HE   MET  35           HE2      MET  35  -9.881   2.904  -0.169
  291   2HE   MET  35           HE1      MET  35  -8.843   4.032  -1.041
  292   3HE   MET  35           HE3      MET  35  -8.602   2.295  -1.218
  293    H    TRP  36           H        TRP  36  -7.818  -1.343   1.805
  294    HA   TRP  36           HA       TRP  36  -6.180  -1.342   4.248
  295   1HB   TRP  36           HB2      TRP  36  -6.817  -3.399   2.277
  296   2HB   TRP  36           HB3      TRP  36  -5.095  -3.237   2.579
  297    HD1  TRP  36           HD1      TRP  36  -7.841  -5.224   3.729
  298    HE1  TRP  36           HE1      TRP  36  -7.490  -6.087   6.132
  299    HE3  TRP  36           HE3      TRP  36  -4.036  -2.129   5.152
  300    HZ2  TRP  36           HZ2      TRP  36  -5.820  -5.525   8.331
  301    HZ3  TRP  36           HZ3      TRP  36  -3.117  -2.356   7.418
  302    HH2  TRP  36           HH2      TRP  36  -3.996  -4.019   8.973
  303    H    THR  37           H        THR  37  -5.101   0.588   3.905
  304    HA   THR  37           HA       THR  37  -3.213   0.548   1.646
  305    HB   THR  37           HB       THR  37  -5.148   2.065   1.142
  306    HG1  THR  37           HG1      THR  37  -2.963   3.777   1.404
  307   1HG2  THR  37          1HG2      THR  37  -5.531   2.847   3.449
  308   2HG2  THR  37          3HG2      THR  37  -3.988   3.701   3.407
  309   3HG2  THR  37          2HG2      THR  37  -5.297   4.191   2.330
  310    H    ARG  38           H        ARG  38  -1.939   3.013   2.232
  311    HA   ARG  38           HA       ARG  38  -0.387   2.210   4.536
  312   1HB   ARG  38           HB2      ARG  38   0.098   3.698   2.159
  313   2HB   ARG  38           HB3      ARG  38   0.443   4.743   3.520
  314   1HG   ARG  38           HG2      ARG  38   2.081   3.322   4.358
  315   2HG   ARG  38           HG3      ARG  38   1.571   1.996   3.313
  316   1HD   ARG  38           HD2      ARG  38   3.555   2.946   2.405
  317   2HD   ARG  38           HD3      ARG  38   2.235   3.357   1.352
  318    HE   ARG  38           HE       ARG  38   2.356   5.602   2.204
  319   1HH1  ARG  38          1HH1      ARG  38   4.954   3.484   3.155
  320   2HH1  ARG  38          2HH1      ARG  38   6.072   4.773   3.455
  321   1HH2  ARG  38          1HH2      ARG  38   3.839   7.309   2.581
  322   2HH2  ARG  38          2HH2      ARG  38   5.438   6.942   3.131
  323    H    VAL  39           H        VAL  39   0.015   3.519   6.366
  324    HA   VAL  39           HA       VAL  39  -2.299   4.895   7.317
  325    HB   VAL  39           HB       VAL  39   0.411   4.901   8.632
  326   1HG1  VAL  39          3HG1      VAL  39  -1.237   6.405   9.600
  327   2HG1  VAL  39          2HG1      VAL  39  -2.389   5.076   9.739
  328   3HG1  VAL  39          1HG1      VAL  39  -0.905   5.060  10.693
  329   1HG2  VAL  39          3HG2      VAL  39  -1.693   2.750   8.640
  330   2HG2  VAL  39          2HG2      VAL  39  -0.001   2.615   8.154
  331   3HG2  VAL  39          1HG2      VAL  39  -0.413   2.865   9.849
  332    H    GLY  40           H        GLY  40  -2.757   7.002   7.305
  333   1HA   GLY  40           HA3      GLY  40  -0.675   9.006   7.179
  334   2HA   GLY  40           HA2      GLY  40  -2.404   9.300   7.290
  335    H    PHE  41           H        PHE  41  -2.460   7.256   4.898
  336    HA   PHE  41           HA       PHE  41  -2.171   9.343   2.857
  337   1HB   PHE  41           HB2      PHE  41  -1.171   6.501   2.596
  338   2HB   PHE  41           HB3      PHE  41  -1.172   7.704   1.309
  339    HD1  PHE  41           HD1      PHE  41   0.513   6.433   4.205
  340    HD2  PHE  41           HD2      PHE  41   0.240   9.754   1.568
  341    HE1  PHE  41           HE1      PHE  41   2.699   7.240   5.005
  342    HE2  PHE  41           HE2      PHE  41   2.428  10.568   2.352
  343    HZ   PHE  41           HZ       PHE  41   3.659   9.311   4.076
  344    H    VAL  42           H        VAL  42  -4.150   7.382   4.413
  345    HA   VAL  42           HA       VAL  42  -5.643   5.910   2.650
  346    HB   VAL  42           HB       VAL  42  -6.133   5.913   5.021
  347   1HG1  VAL  42          1HG1      VAL  42  -7.152   8.722   4.603
  348   2HG1  VAL  42          3HG1      VAL  42  -7.300   7.786   6.090
  349   3HG1  VAL  42          2HG1      VAL  42  -5.707   8.260   5.502
  350   1HG2  VAL  42          2HG2      VAL  42  -8.443   6.822   3.318
  351   2HG2  VAL  42          1HG2      VAL  42  -7.920   5.166   3.620
  352   3HG2  VAL  42          3HG2      VAL  42  -8.614   6.123   4.928
  353    H    GLY  43           H        GLY  43  -7.039   6.295   1.024
  354   1HA   GLY  43           HA3      GLY  43  -8.319   8.875   0.721
  355   2HA   GLY  43           HA2      GLY  43  -8.557   7.465  -0.298
  356    H    LYS  44           H        LYS  44  -5.432   8.906   0.460
  357    HA   LYS  44           HA       LYS  44  -5.173  10.560  -1.772
  358   1HB   LYS  44           HB2      LYS  44  -2.997   9.075  -0.295
  359   2HB   LYS  44           HB3      LYS  44  -2.772  10.473  -1.328
  360   1HG   LYS  44           HG2      LYS  44  -4.210  11.777   0.229
  361   2HG   LYS  44           HG3      LYS  44  -4.221  10.377   1.304
  362   1HD   LYS  44           HD2      LYS  44  -1.786  10.485   1.476
  363   2HD   LYS  44           HD3      LYS  44  -1.766  11.876   0.390
  364   1HE   LYS  44           HE2      LYS  44  -1.579  12.560   2.731
  365   2HE   LYS  44           HE3      LYS  44  -3.058  13.171   1.991
  366   1HZ   LYS  44           HZ1      LYS  44  -2.876  10.774   3.736
  367   2HZ   LYS  44           HZ3      LYS  44  -3.454  12.292   4.212
  368   3HZ   LYS  44           HZ2      LYS  44  -4.292  11.394   3.049
  369    H    ASP  45           H        ASP  45  -3.637  10.223  -3.597
  370    HA   ASP  45           HA       ASP  45  -4.276   7.757  -4.945
  371   1HB   ASP  45           HB2      ASP  45  -2.824  10.268  -5.777
  372   2HB   ASP  45           HB3      ASP  45  -3.016   8.879  -6.833
  373    H    VAL  46           H        VAL  46  -1.446   9.377  -3.623
  374    HA   VAL  46           HA       VAL  46   0.099   6.911  -4.085
  375    HB   VAL  46           HB       VAL  46   0.893   9.766  -4.420
  376   1HG1  VAL  46          1HG1      VAL  46   2.777   7.575  -3.558
  377   2HG1  VAL  46          3HG1      VAL  46   3.287   9.112  -4.257
  378   3HG1  VAL  46          2HG1      VAL  46   2.440   9.085  -2.710
  379   1HG2  VAL  46          3HG2      VAL  46   0.370   8.340  -6.346
  380   2HG2  VAL  46          2HG2      VAL  46   2.052   8.873  -6.358
  381   3HG2  VAL  46          1HG2      VAL  46   1.651   7.229  -5.857
  382    H    LEU  47           H        LEU  47   0.875   5.938  -2.362
  383    HA   LEU  47           HA       LEU  47   0.512   7.157   0.248
  384   1HB   LEU  47           HB2      LEU  47   1.663   4.446  -0.170
  385   2HB   LEU  47           HB3      LEU  47   0.651   5.028   1.132
  386    HG   LEU  47           HG       LEU  47  -0.304   4.517  -1.684
  387   1HD1  LEU  47          3HD1      LEU  47   0.371   2.454  -0.505
  388   2HD1  LEU  47          2HD1      LEU  47  -0.748   2.862   0.795
  389   3HD1  LEU  47          1HD1      LEU  47  -1.364   2.529  -0.823
  390   1HD2  LEU  47          1HD2      LEU  47  -1.794   5.185   0.848
  391   2HD2  LEU  47          3HD2      LEU  47  -1.614   6.216  -0.572
  392   3HD2  LEU  47          2HD2      LEU  47  -2.541   4.718  -0.680
  393    H    SER  48           H        SER  48   3.095   5.586  -1.590
  394    HA   SER  48           HA       SER  48   5.236   5.982   0.087
  395   1HB   SER  48           HB2      SER  48   6.605   5.597  -1.820
  396   2HB   SER  48           HB3      SER  48   5.128   4.680  -2.085
  397    HG   SER  48           HG       SER  48   4.407   6.325  -3.453
  398    H    ASP  49           H        ASP  49   7.205   7.418  -1.046
  399    HA   ASP  49           HA       ASP  49   6.437  10.066  -1.779
  400   1HB   ASP  49           HB2      ASP  49   6.124   9.752   0.854
  401   2HB   ASP  49           HB3      ASP  49   7.858  10.082   0.833
  402    H    GLU  50           H        GLU  50   9.120   9.091   0.300
  403    HA   GLU  50           HA       GLU  50  10.955   9.288  -1.975
  404   1HB   GLU  50           HB2      GLU  50  12.433  10.740  -0.739
  405   2HB   GLU  50           HB3      GLU  50  10.827  11.457  -0.792
  406   1HG   GLU  50           HG2      GLU  50  10.381  10.724   1.465
  407   2HG   GLU  50           HG3      GLU  50  11.956   9.934   1.540
  408    H    ILE  51           H        ILE  51  10.332   8.212   1.307
  409    HA   ILE  51           HA       ILE  51  12.777   6.807   1.667
  410    HB   ILE  51           HB       ILE  51  10.155   6.265   3.051
  411   1HG1  ILE  51          2HG1      ILE  51  10.769   8.674   3.106
  412   2HG1  ILE  51          3HG1      ILE  51  10.785   7.917   4.693
  413   1HG2  ILE  51          1HG2      ILE  51  13.019   5.792   3.862
  414   2HG2  ILE  51          3HG2      ILE  51  11.619   5.548   4.907
  415   3HG2  ILE  51          2HG2      ILE  51  11.817   4.566   3.456
  416   1HD1  ILE  51          1HD1      ILE  51  13.222   8.436   3.008
  417   2HD1  ILE  51          3HD1      ILE  51  12.672   9.447   4.345
  418   3HD1  ILE  51          2HD1      ILE  51  13.195   7.790   4.649
  419    H    LEU  52           H        LEU  52   9.592   5.281   1.721
  420    HA   LEU  52           HA       LEU  52  10.716   2.998   0.259
  421   1HB   LEU  52           HB2      LEU  52   8.469   3.355   2.187
  422   2HB   LEU  52           HB3      LEU  52   8.374   2.042   1.031
  423    HG   LEU  52           HG       LEU  52  10.781   2.379   2.793
  424   1HD1  LEU  52          3HD1      LEU  52   8.240   0.896   3.449
  425   2HD1  LEU  52          2HD1      LEU  52   9.746   0.806   4.363
  426   3HD1  LEU  52          1HD1      LEU  52   8.856   2.327   4.275
  427   1HD2  LEU  52          1HD2      LEU  52  10.721   0.846   0.766
  428   2HD2  LEU  52          3HD2      LEU  52  11.193   0.119   2.301
  429   3HD2  LEU  52          2HD2      LEU  52   9.564  -0.127   1.672
  430    H    GLU  53           H        GLU  53  10.300   2.851  -1.866
  431    HA   GLU  53           HA       GLU  53   8.299   4.390  -3.162
  432   1HB   GLU  53           HB2      GLU  53  10.393   2.517  -3.923
  433   2HB   GLU  53           HB3      GLU  53   8.945   2.321  -4.901
  434   1HG   GLU  53           HG2      GLU  53   9.848   5.081  -4.488
  435   2HG   GLU  53           HG3      GLU  53  10.920   4.054  -5.436
  436    H    VAL  54           H        VAL  54   6.589   3.643  -1.632
  437    HA   VAL  54           HA       VAL  54   5.554   1.004  -1.833
  438    HB   VAL  54           HB       VAL  54   4.074   3.447  -0.871
  439   1HG1  VAL  54          1HG1      VAL  54   2.742   1.412  -1.271
  440   2HG1  VAL  54          3HG1      VAL  54   3.783   0.535  -0.148
  441   3HG1  VAL  54          2HG1      VAL  54   2.787   1.869   0.432
  442   1HG2  VAL  54          1HG2      VAL  54   6.379   3.023   0.175
  443   2HG2  VAL  54          3HG2      VAL  54   5.000   3.203   1.256
  444   3HG2  VAL  54          2HG2      VAL  54   5.635   1.600   0.899
  445    H    VAL  55           H        VAL  55   5.326   0.715  -4.109
  446    HA   VAL  55           HA       VAL  55   3.423   2.328  -5.556
  447    HB   VAL  55           HB       VAL  55   4.612  -0.319  -6.373
  448   1HG1  VAL  55          1HG1      VAL  55   2.610   0.373  -7.610
  449   2HG1  VAL  55          3HG1      VAL  55   3.397   1.899  -8.014
  450   3HG1  VAL  55          2HG1      VAL  55   4.048   0.381  -8.633
  451   1HG2  VAL  55          1HG2      VAL  55   6.395   1.278  -5.894
  452   2HG2  VAL  55          3HG2      VAL  55   6.270   0.988  -7.630
  453   3HG2  VAL  55          2HG2      VAL  55   5.617   2.471  -6.934
  454    H    CYS  56           H        CYS  56   1.522   2.124  -4.478
  455    HA   CYS  56           HA       CYS  56   0.434  -0.509  -3.918
  456   1HB   CYS  56           HB2      CYS  56   0.217   1.215  -2.206
  457   2HB   CYS  56           HB3      CYS  56  -0.668   2.239  -3.333
  458    HG   CYS  56           HG       CYS  56  -3.012   1.151  -3.064
  459    H    LYS  57           H        LYS  57  -1.026  -1.514  -5.078
  460    HA   LYS  57           HA       LYS  57  -2.514  -0.017  -7.121
  461   1HB   LYS  57           HB2      LYS  57  -1.614  -2.870  -7.374
  462   2HB   LYS  57           HB3      LYS  57  -2.340  -1.871  -8.615
  463   1HG   LYS  57           HG2      LYS  57  -0.356  -0.441  -8.631
  464   2HG   LYS  57           HG3      LYS  57   0.381  -1.462  -7.393
  465   1HD   LYS  57           HD2      LYS  57   0.310  -3.371  -8.916
  466   2HD   LYS  57           HD3      LYS  57  -0.447  -2.364 -10.152
  467   1HE   LYS  57           HE2      LYS  57   2.292  -1.941  -8.961
  468   2HE   LYS  57           HE3      LYS  57   1.953  -2.627 -10.550
  469   1HZ   LYS  57           HZ1      LYS  57   0.931  -0.535 -11.197
  470   2HZ   LYS  57           HZ3      LYS  57   1.260   0.124  -9.674
  471   3HZ   LYS  57           HZ2      LYS  57   2.532  -0.292 -10.708
  472    H    TYR  58           H        TYR  58  -4.127   0.167  -5.503
  473    HA   TYR  58           HA       TYR  58  -5.386  -2.025  -4.252
  474   1HB   TYR  58           HB2      TYR  58  -5.571   0.378  -3.525
  475   2HB   TYR  58           HB3      TYR  58  -6.608   0.671  -4.916
  476    HD1  TYR  58           HD1      TYR  58  -6.841   0.604  -1.618
  477    HD2  TYR  58           HD2      TYR  58  -8.432  -1.603  -4.912
  478    HE1  TYR  58           HE1      TYR  58  -8.824   0.000  -0.288
  479    HE2  TYR  58           HE2      TYR  58 -10.391  -2.218  -3.573
  480    HH   TYR  58           HH       TYR  58 -11.017  -2.410  -1.207
  481    H    THR  59           H        THR  59  -6.559  -3.578  -5.175
  482    HA   THR  59           HA       THR  59  -7.751  -3.087  -7.811
  483    HB   THR  59           HB       THR  59  -7.390  -5.753  -6.411
  484    HG1  THR  59           HG1      THR  59  -5.347  -5.017  -6.846
  485   1HG2  THR  59          1HG2      THR  59  -9.122  -5.733  -8.142
  486   2HG2  THR  59          3HG2      THR  59  -7.974  -5.045  -9.290
  487   3HG2  THR  59          2HG2      THR  59  -7.722  -6.672  -8.659
  488    HA   PRO  60           HA       PRO  60 -11.612  -3.224  -5.451
  489   1HB   PRO  60           HB2      PRO  60 -12.673  -1.003  -6.404
  490   2HB   PRO  60           HB3      PRO  60 -11.261  -0.915  -5.345
  491   1HG   PRO  60           HG2      PRO  60 -11.455  -0.521  -8.286
  492   2HG   PRO  60           HG3      PRO  60 -10.320   0.196  -7.129
  493   1HD   PRO  60           HD2      PRO  60  -9.929  -2.113  -8.808
  494   2HD   PRO  60           HD3      PRO  60  -8.793  -1.383  -7.656
  495    H    THR  61           H        THR  61 -10.972  -3.675  -8.701
  496    HA   THR  61           HA       THR  61 -13.540  -3.529  -9.852
  497    HB   THR  61           HB       THR  61 -11.786  -5.585 -10.999
  498    HG1  THR  61           HG1      THR  61 -10.865  -2.896 -11.014
  499   1HG2  THR  61          2HG2      THR  61 -12.992  -3.025 -12.049
  500   2HG2  THR  61          1HG2      THR  61 -12.139  -4.220 -13.026
  501   3HG2  THR  61          3HG2      THR  61 -13.654  -4.649 -12.233
  502    HA   PRO  62           HA       PRO  62 -15.621  -7.043  -8.134
  503   1HB   PRO  62           HB2      PRO  62 -16.897  -7.318 -10.796
  504   2HB   PRO  62           HB3      PRO  62 -17.640  -7.104  -9.208
  505   1HG   PRO  62           HG2      PRO  62 -17.577  -5.106 -10.976
  506   2HG   PRO  62           HG3      PRO  62 -17.360  -4.805  -9.241
  507   1HD   PRO  62           HD2      PRO  62 -15.311  -4.912 -11.420
  508   2HD   PRO  62           HD3      PRO  62 -15.423  -3.812 -10.031
  509    H    SER  63           H        SER  63 -16.253  -9.356  -8.857
  510    HA   SER  63           HA       SER  63 -14.136 -10.491 -10.557
  511   1HB   SER  63           HB2      SER  63 -13.535 -10.845  -8.203
  512   2HB   SER  63           HB3      SER  63 -15.098 -11.608  -7.911
  513    HG   SER  63           HG       SER  63 -13.158 -12.545  -9.760
  514    H    SER  64           H        SER  64 -14.662 -12.854 -11.102
  515    HA   SER  64           HA       SER  64 -17.149 -12.913 -12.451
  516   1HB   SER  64           HB2      SER  64 -15.203 -15.166 -11.896
  517   2HB   SER  64           HB3      SER  64 -16.527 -15.224 -13.059
  518    HG   SER  64           HG       SER  64 -14.910 -14.583 -14.306
  519    H    THR  65           H        THR  65 -15.993 -14.380  -9.463
  520    HA   THR  65           HA       THR  65 -18.698 -14.721  -8.552
  521    HB   THR  65           HB       THR  65 -16.969 -17.178  -8.846
  522    HG1  THR  65           HG1      THR  65 -17.884 -16.881 -10.804
  523   1HG2  THR  65          3HG2      THR  65 -19.758 -16.852  -7.734
  524   2HG2  THR  65          2HG2      THR  65 -18.920 -18.384  -7.978
  525   3HG2  THR  65          1HG2      THR  65 -18.307 -17.222  -6.801
  526    HA   PRO  66           HA       PRO  66 -15.612 -15.648  -4.961
  527   1HB   PRO  66           HB2      PRO  66 -12.934 -15.211  -6.038
  528   2HB   PRO  66           HB3      PRO  66 -13.582 -16.628  -5.209
  529   1HG   PRO  66           HG2      PRO  66 -12.961 -16.649  -7.840
  530   2HG   PRO  66           HG3      PRO  66 -14.286 -17.615  -7.164
  531   1HD   PRO  66           HD2      PRO  66 -14.406 -14.985  -8.604
  532   2HD   PRO  66           HD3      PRO  66 -15.443 -16.415  -8.798
  533    H    MET  67           H        MET  67 -13.283 -14.266  -4.223
  534    HA   MET  67           HA       MET  67 -13.784 -11.461  -4.883
  535   1HB   MET  67           HB2      MET  67 -13.744 -12.538  -2.055
  536   2HB   MET  67           HB3      MET  67 -13.780 -10.835  -2.491
  537   1HG   MET  67           HG2      MET  67 -15.956 -11.144  -3.546
  538   2HG   MET  67           HG3      MET  67 -15.918 -12.856  -3.129
  539   1HE   MET  67           HE3      MET  67 -18.294 -12.628  -1.983
  540   2HE   MET  67           HE2      MET  67 -18.672 -11.449  -0.728
  541   3HE   MET  67           HE1      MET  67 -18.345 -10.909  -2.375
  542    H    VAL  68           H        VAL  68 -11.698 -13.641  -5.193
  543    HA   VAL  68           HA       VAL  68  -9.433 -12.238  -3.942
  544    HB   VAL  68           HB       VAL  68  -9.790 -14.633  -3.294
  545   1HG1  VAL  68          1HG1      VAL  68 -10.591 -15.470  -5.435
  546   2HG1  VAL  68          3HG1      VAL  68  -9.014 -15.158  -6.161
  547   3HG1  VAL  68          2HG1      VAL  68  -9.177 -16.376  -4.896
  548   1HG2  VAL  68          3HG2      VAL  68  -7.604 -13.572  -3.075
  549   2HG2  VAL  68          2HG2      VAL  68  -7.432 -15.267  -3.533
  550   3HG2  VAL  68          1HG2      VAL  68  -7.217 -14.001  -4.742
  551    H    GLY  69           H        GLY  69  -7.578 -11.811  -5.181
  552   1HA   GLY  69           HA3      GLY  69  -7.607 -12.425  -8.024
  553   2HA   GLY  69           HA2      GLY  69  -6.298 -11.661  -7.133
  554    H    VAL  70           H        VAL  70  -9.719 -10.740  -7.395
  555    HA   VAL  70           HA       VAL  70  -8.942  -8.030  -7.987
  556    HB   VAL  70           HB       VAL  70  -8.909  -8.924 -10.212
  557   1HG1  VAL  70          2HG1      VAL  70 -10.305 -10.911  -9.775
  558   2HG1  VAL  70          1HG1      VAL  70 -11.733  -9.878  -9.778
  559   3HG1  VAL  70          3HG1      VAL  70 -10.769 -10.053 -11.244
  560   1HG2  VAL  70          3HG2      VAL  70  -9.904  -6.676  -9.837
  561   2HG2  VAL  70          2HG2      VAL  70 -10.489  -7.477 -11.295
  562   3HG2  VAL  70          1HG2      VAL  70 -11.498  -7.429  -9.852
  563    H    GLY  71           H        GLY  71  -9.965  -7.467  -6.107
  564   1HA   GLY  71           HA3      GLY  71 -12.776  -8.115  -5.730
  565   2HA   GLY  71           HA2      GLY  71 -12.387  -6.422  -5.998
  566    H    GLY  72           H        GLY  72  -9.981  -6.278  -4.664
  567   1HA   GLY  72           HA3      GLY  72 -10.769  -6.802  -1.877
  568   2HA   GLY  72           HA2      GLY  72  -9.951  -5.336  -2.381
  569    H    ILE  73           H        ILE  73  -8.116  -6.423  -4.109
  570    HA   ILE  73           HA       ILE  73  -6.600  -8.431  -2.703
  571    HB   ILE  73           HB       ILE  73  -6.709  -7.443  -5.396
  572   1HG1  ILE  73          2HG1      ILE  73  -7.014  -9.760  -4.613
  573   2HG1  ILE  73          3HG1      ILE  73  -5.802  -9.619  -5.886
  574   1HG2  ILE  73          2HG2      ILE  73  -3.938  -7.721  -4.234
  575   2HG2  ILE  73          1HG2      ILE  73  -4.327  -7.588  -5.950
  576   3HG2  ILE  73          3HG2      ILE  73  -4.662  -6.239  -4.864
  577   1HD1  ILE  73          2HD1      ILE  73  -5.165  -9.792  -2.942
  578   2HD1  ILE  73          1HD1      ILE  73  -5.155 -11.165  -4.053
  579   3HD1  ILE  73          3HD1      ILE  73  -4.018  -9.835  -4.284
  580    H    TYR  74           H        TYR  74  -6.595  -5.048  -3.038
  581    HA   TYR  74           HA       TYR  74  -5.127  -3.385  -2.433
  582   1HB   TYR  74           HB2      TYR  74  -4.615  -5.139  -0.041
  583   2HB   TYR  74           HB3      TYR  74  -4.678  -3.383  -0.112
  584    HD1  TYR  74           HD1      TYR  74  -6.872  -2.238  -0.358
  585    HD2  TYR  74           HD2      TYR  74  -6.592  -6.431   0.302
  586    HE1  TYR  74           HE1      TYR  74  -9.224  -2.284   0.357
  587    HE2  TYR  74           HE2      TYR  74  -8.942  -6.481   1.008
  588    HH   TYR  74           HH       TYR  74 -11.069  -3.890   0.518
  589    H    VAL  75           H        VAL  75  -3.476  -3.670  -4.026
  590    HA   VAL  75           HA       VAL  75  -1.239  -5.399  -3.384
  591    HB   VAL  75           HB       VAL  75  -1.687  -3.555  -5.740
  592   1HG1  VAL  75          2HG1      VAL  75   0.545  -5.512  -5.213
  593   2HG1  VAL  75          1HG1      VAL  75   0.262  -4.682  -6.743
  594   3HG1  VAL  75          3HG1      VAL  75   0.683  -3.756  -5.302
  595   1HG2  VAL  75          2HG2      VAL  75  -1.885  -6.543  -5.450
  596   2HG2  VAL  75          1HG2      VAL  75  -3.181  -5.414  -5.844
  597   3HG2  VAL  75          3HG2      VAL  75  -1.877  -5.697  -6.997
  598    H    VAL  76           H        VAL  76   0.595  -4.743  -2.503
  599    HA   VAL  76           HA       VAL  76   1.232  -1.879  -2.474
  600    HB   VAL  76           HB       VAL  76   1.465  -3.625  -0.023
  601   1HG1  VAL  76          2HG1      VAL  76   1.900  -0.672  -0.437
  602   2HG1  VAL  76          1HG1      VAL  76   1.957  -1.505   1.116
  603   3HG1  VAL  76          3HG1      VAL  76   3.147  -1.880  -0.130
  604   1HG2  VAL  76          2HG2      VAL  76  -0.880  -3.188  -0.529
  605   2HG2  VAL  76          1HG2      VAL  76  -0.369  -2.299   0.906
  606   3HG2  VAL  76          3HG2      VAL  76  -0.542  -1.459  -0.635
  607    H    LEU  77           H        LEU  77   2.948  -2.035  -3.858
  608    HA   LEU  77           HA       LEU  77   5.057  -3.978  -3.321
  609   1HB   LEU  77           HB2      LEU  77   4.658  -1.968  -5.533
  610   2HB   LEU  77           HB3      LEU  77   6.117  -2.928  -5.372
  611    HG   LEU  77           HG       LEU  77   3.325  -4.023  -5.794
  612   1HD1  LEU  77          1HD1      LEU  77   4.170  -2.873  -7.767
  613   2HD1  LEU  77          3HD1      LEU  77   5.661  -3.811  -7.688
  614   3HD1  LEU  77          2HD1      LEU  77   4.129  -4.618  -8.024
  615   1HD2  LEU  77          3HD2      LEU  77   5.095  -5.383  -4.482
  616   2HD2  LEU  77          2HD2      LEU  77   4.222  -6.157  -5.807
  617   3HD2  LEU  77          1HD2      LEU  77   5.867  -5.575  -6.057
  618    H    VAL  78           H        VAL  78   6.279  -3.367  -1.620
  619    HA   VAL  78           HA       VAL  78   6.978  -0.541  -1.363
  620    HB   VAL  78           HB       VAL  78   8.110  -2.256   0.679
  621   1HG1  VAL  78          2HG1      VAL  78   7.723   0.247   0.694
  622   2HG1  VAL  78          1HG1      VAL  78   6.008  -0.103   0.932
  623   3HG1  VAL  78          3HG1      VAL  78   7.194  -0.618   2.134
  624   1HG2  VAL  78          2HG2      VAL  78   5.116  -2.323   0.322
  625   2HG2  VAL  78          1HG2      VAL  78   6.214  -3.697   0.197
  626   3HG2  VAL  78          3HG2      VAL  78   5.989  -2.886   1.747
  627    H    LYS  79           H        LYS  79   8.674   0.083  -2.486
  628    HA   LYS  79           HA       LYS  79  11.025  -1.685  -2.624
  629   1HB   LYS  79           HB2      LYS  79   9.824   0.241  -4.563
  630   2HB   LYS  79           HB3      LYS  79  11.563  -0.013  -4.597
  631   1HG   LYS  79           HG2      LYS  79  11.168  -2.433  -4.876
  632   2HG   LYS  79           HG3      LYS  79   9.426  -2.110  -4.959
  633   1HD   LYS  79           HD2      LYS  79  11.495  -0.943  -6.826
  634   2HD   LYS  79           HD3      LYS  79  10.495  -2.352  -7.186
  635   1HE   LYS  79           HE2      LYS  79   8.481  -0.979  -6.945
  636   2HE   LYS  79           HE3      LYS  79   9.484   0.428  -6.594
  637   1HZ   LYS  79           HZ2      LYS  79  10.459   0.234  -8.798
  638   2HZ   LYS  79           HZ1      LYS  79   9.491  -1.111  -9.135
  639   3HZ   LYS  79           HZ3      LYS  79   8.781   0.407  -8.899
  640    HA   PRO  80           HA       PRO  80  12.410   1.550   0.342
  641   1HB   PRO  80           HB2      PRO  80  14.886   0.176   0.493
  642   2HB   PRO  80           HB3      PRO  80  13.575   0.161   1.672
  643   1HG   PRO  80           HG2      PRO  80  14.253  -1.814  -0.427
  644   2HG   PRO  80           HG3      PRO  80  13.437  -2.056   1.128
  645   1HD   PRO  80           HD2      PRO  80  12.109  -2.137  -1.212
  646   2HD   PRO  80           HD3      PRO  80  11.367  -1.502   0.272
  647    H    ARG  81           H        ARG  81  12.713   3.296  -0.937
  648    HA   ARG  81           HA       ARG  81  14.460   3.418  -3.151
  649   1HB   ARG  81           HB2      ARG  81  12.757   5.263  -1.663
  650   2HB   ARG  81           HB3      ARG  81  14.223   6.024  -2.262
  651   1HG   ARG  81           HG2      ARG  81  13.692   5.484  -4.506
  652   2HG   ARG  81           HG3      ARG  81  12.375   4.419  -4.004
  653   1HD   ARG  81           HD2      ARG  81  11.086   6.258  -3.215
  654   2HD   ARG  81           HD3      ARG  81  12.438   7.373  -3.427
  655    HE   ARG  81           HE       ARG  81  11.729   6.135  -5.884
  656   1HH1  ARG  81          1HH1      ARG  81  10.751   8.623  -3.650
  657   2HH1  ARG  81          2HH1      ARG  81   9.947   9.570  -4.857
  658   1HH2  ARG  81          1HH2      ARG  81  10.674   7.375  -7.479
  659   2HH2  ARG  81          2HH2      ARG  81   9.904   8.859  -7.035
  660    H    LYS  82           H        LYS  82  14.854   4.043   0.265
  661    HA   LYS  82           HA       LYS  82  17.699   4.662  -0.199
  662   1HB   LYS  82           HB2      LYS  82  16.085   5.530   2.199
  663   2HB   LYS  82           HB3      LYS  82  17.690   6.073   1.731
  664   1HG   LYS  82           HG2      LYS  82  16.733   7.157  -0.251
  665   2HG   LYS  82           HG3      LYS  82  15.124   6.637   0.260
  666   1HD   LYS  82           HD2      LYS  82  15.397   7.917   2.346
  667   2HD   LYS  82           HD3      LYS  82  16.971   8.475   1.778
  668   1HE   LYS  82           HE2      LYS  82  14.322   8.988   0.430
  669   2HE   LYS  82           HE3      LYS  82  15.233  10.152   1.393
  670   1HZ   LYS  82           HZ1      LYS  82  17.034  10.016  -0.214
  671   2HZ   LYS  82           HZ3      LYS  82  16.157   8.902  -1.138
  672   3HZ   LYS  82           HZ2      LYS  82  15.595  10.488  -0.967
  673    H    ARG  83           H        ARG  83  18.817   4.342   2.167
  674    HA   ARG  83           HA       ARG  83  18.086   1.624   3.042
  675   1HB   ARG  83           HB2      ARG  83  20.888   2.736   2.908
  676   2HB   ARG  83           HB3      ARG  83  20.418   1.084   3.279
  677   1HG   ARG  83           HG2      ARG  83  19.755   0.666   1.054
  678   2HG   ARG  83           HG3      ARG  83  19.820   2.380   0.637
  679   1HD   ARG  83           HD2      ARG  83  22.245   2.363   0.986
  680   2HD   ARG  83           HD3      ARG  83  22.173   0.645   1.375
  681    HE   ARG  83           HE       ARG  83  21.059   0.720  -1.066
  682   1HH1  ARG  83          1HH1      ARG  83  24.003   2.091   0.198
  683   2HH1  ARG  83          2HH1      ARG  83  24.847   1.995  -1.311
  684   1HH2  ARG  83          1HH2      ARG  83  22.163   0.590  -3.056
  685   2HH2  ARG  83          2HH2      ARG  83  23.802   1.143  -3.161
  686    H    GLY  84           H        GLY  84  18.230   1.168   5.227
  687   1HA   GLY  84           HA3      GLY  84  18.484   3.541   6.952
  688   2HA   GLY  84           HA2      GLY  84  19.375   2.081   7.351
  689    H    HIS  85           H        HIS  85  16.640   3.791   8.010
  690    HA   HIS  85           HA       HIS  85  15.273   1.382   9.008
  691   1HB   HIS  85           HB2      HIS  85  15.225   4.187  10.136
  692   2HB   HIS  85           HB3      HIS  85  14.353   2.806  10.791
  693    HD1  HIS  85           HD1      HIS  85  17.684   4.414  10.727
  694    HD2  HIS  85           HD2      HIS  85  15.994   0.864  12.072
  695    HE1  HIS  85           HE1      HIS  85  19.392   3.399  12.268
  696    HE2  HIS  85           HE2      HIS  85  18.383   1.209  13.001
  697    H    HIS  86           H        HIS  86  13.899   1.002   7.317
  698    HA   HIS  86           HA       HIS  86  11.978   3.139   6.663
  699   1HB   HIS  86           HB2      HIS  86  12.793   0.727   5.026
  700   2HB   HIS  86           HB3      HIS  86  11.558   1.893   4.562
  701    HD1  HIS  86           HD1      HIS  86  14.379   3.566   6.119
  702    HD2  HIS  86           HD2      HIS  86  13.394   2.243   2.307
  703    HE1  HIS  86           HE1      HIS  86  15.936   4.779   4.565
  704    HE2  HIS  86           HE2      HIS  86  15.236   4.056   2.256
  705    H    THR  87           H        THR  87   9.744   2.396   6.206
  706    HA   THR  87           HA       THR  87   8.951  -0.177   7.225
  707    HB   THR  87           HB       THR  87   8.172   2.309   8.753
  708    HG1  THR  87           HG1      THR  87   9.580  -0.030   9.579
  709   1HG2  THR  87          3HG2      THR  87   7.257  -0.553   9.052
  710   2HG2  THR  87          2HG2      THR  87   6.901   0.751  10.187
  711   3HG2  THR  87          1HG2      THR  87   6.268   0.819   8.540
  712    H    LEU  88           H        LEU  88   6.978  -0.805   6.523
  713    HA   LEU  88           HA       LEU  88   5.452   1.135   4.925
  714   1HB   LEU  88           HB2      LEU  88   6.471  -0.706   3.634
  715   2HB   LEU  88           HB3      LEU  88   5.623  -1.868   4.625
  716    HG   LEU  88           HG       LEU  88   4.750  -1.083   2.213
  717   1HD1  LEU  88          2HD1      LEU  88   3.878  -2.878   3.703
  718   2HD1  LEU  88          1HD1      LEU  88   2.864  -1.659   4.475
  719   3HD1  LEU  88          3HD1      LEU  88   2.649  -2.030   2.765
  720   1HD2  LEU  88          3HD2      LEU  88   4.472   1.255   2.935
  721   2HD2  LEU  88          2HD2      LEU  88   2.972   0.512   2.380
  722   3HD2  LEU  88          1HD2      LEU  88   3.267   0.718   4.106
  723    H    GLU  89           H        GLU  89   4.322   1.795   6.824
  724    HA   GLU  89           HA       GLU  89   2.777  -0.136   8.288
  725   1HB   GLU  89           HB2      GLU  89   1.927   1.792   9.529
  726   2HB   GLU  89           HB3      GLU  89   3.683   1.825   9.423
  727   1HG   GLU  89           HG2      GLU  89   3.438   3.371   7.486
  728   2HG   GLU  89           HG3      GLU  89   1.720   3.448   7.857
  729    H    LEU  90           H        LEU  90   0.805  -0.778   7.896
  730    HA   LEU  90           HA       LEU  90  -0.853   0.748   6.008
  731   1HB   LEU  90           HB2      LEU  90  -0.819  -2.254   6.310
  732   2HB   LEU  90           HB3      LEU  90  -1.788  -1.334   5.178
  733    HG   LEU  90           HG       LEU  90   1.206  -1.692   5.137
  734   1HD1  LEU  90          2HD1      LEU  90  -0.097  -3.578   4.291
  735   2HD1  LEU  90          1HD1      LEU  90  -0.947  -2.497   3.187
  736   3HD1  LEU  90          3HD1      LEU  90   0.785  -2.769   2.996
  737   1HD2  LEU  90          1HD2      LEU  90   0.613   0.611   4.513
  738   2HD2  LEU  90          3HD2      LEU  90   1.244  -0.312   3.147
  739   3HD2  LEU  90          2HD2      LEU  90  -0.493  -0.016   3.291
  740    H    VAL  91           H        VAL  91  -3.206   0.329   6.276
  741    HA   VAL  91           HA       VAL  91  -4.048  -0.662   8.861
  742    HB   VAL  91           HB       VAL  91  -3.366   1.556   9.504
  743   1HG1  VAL  91          3HG1      VAL  91  -5.046   2.497   7.182
  744   2HG1  VAL  91          2HG1      VAL  91  -4.408   3.560   8.438
  745   3HG1  VAL  91          1HG1      VAL  91  -3.301   2.672   7.390
  746   1HG2  VAL  91          3HG2      VAL  91  -5.415   0.734  10.526
  747   2HG2  VAL  91          2HG2      VAL  91  -5.479   2.485  10.321
  748   3HG2  VAL  91          1HG2      VAL  91  -6.365   1.435   9.216
  749    H    TYR  92           H        TYR  92  -6.288  -0.960   9.025
  750    HA   TYR  92           HA       TYR  92  -7.728  -0.977   6.484
  751   1HB   TYR  92           HB2      TYR  92  -7.575  -2.961   8.156
  752   2HB   TYR  92           HB3      TYR  92  -8.757  -2.062   9.099
  753    HD1  TYR  92           HD1      TYR  92 -10.729  -3.272   8.957
  754    HD2  TYR  92           HD2      TYR  92  -8.505  -2.535   5.405
  755    HE1  TYR  92           HE1      TYR  92 -12.538  -4.271   7.622
  756    HE2  TYR  92           HE2      TYR  92 -10.309  -3.530   4.062
  757    HH   TYR  92           HH       TYR  92 -12.167  -5.111   4.357
  758    H    THR  93           H        THR  93  -8.132   1.260   6.312
  759    HA   THR  93           HA       THR  93  -9.964   2.387   8.336
  760    HB   THR  93           HB       THR  93  -7.892   3.594   8.350
  761    HG1  THR  93           HG1      THR  93 -10.094   4.731   8.127
  762   1HG2  THR  93          2HG2      THR  93  -8.278   3.820   5.364
  763   2HG2  THR  93          1HG2      THR  93  -7.062   4.709   6.286
  764   3HG2  THR  93          3HG2      THR  93  -6.996   2.947   6.207
  765    H    ARG  94           H        ARG  94 -11.486   4.003   7.567
  766    HA   ARG  94           HA       ARG  94 -12.539   3.324   4.919
  767   1HB   ARG  94           HB2      ARG  94 -13.772   4.697   7.308
  768   2HB   ARG  94           HB3      ARG  94 -14.567   4.601   5.744
  769   1HG   ARG  94           HG2      ARG  94 -14.459   2.135   5.889
  770   2HG   ARG  94           HG3      ARG  94 -13.785   2.299   7.511
  771   1HD   ARG  94           HD2      ARG  94 -16.177   1.879   7.615
  772   2HD   ARG  94           HD3      ARG  94 -15.795   3.486   8.232
  773    HE   ARG  94           HE       ARG  94 -16.408   3.765   5.538
  774   1HH1  ARG  94          1HH1      ARG  94 -17.999   2.763   8.471
  775   2HH1  ARG  94          2HH1      ARG  94 -19.568   3.274   7.947
  776   1HH2  ARG  94          1HH2      ARG  94 -18.470   4.442   4.840
  777   2HH2  ARG  94          2HH2      ARG  94 -19.836   4.229   5.883
  778    HA   PRO  95           HA       PRO  95 -10.345   7.162   3.681
  779   1HB   PRO  95           HB2      PRO  95 -11.815   6.313   1.218
  780   2HB   PRO  95           HB3      PRO  95 -10.162   6.913   1.388
  781   1HG   PRO  95           HG2      PRO  95 -10.618   4.312   1.060
  782   2HG   PRO  95           HG3      PRO  95  -9.367   4.877   2.181
  783   1HD   PRO  95           HD2      PRO  95 -12.055   3.750   2.761
  784   2HD   PRO  95           HD3      PRO  95 -10.552   3.630   3.689
  785    H    PHE  96           H        PHE  96 -13.737   6.306   3.143
  786    HA   PHE  96           HA       PHE  96 -14.473   9.056   2.654
  787   1HB   PHE  96           HB2      PHE  96 -16.031   6.479   2.761
  788   2HB   PHE  96           HB3      PHE  96 -16.753   8.041   2.441
  789    HD1  PHE  96           HD1      PHE  96 -16.649   9.033   0.298
  790    HD2  PHE  96           HD2      PHE  96 -14.355   5.557   1.169
  791    HE1  PHE  96           HE1      PHE  96 -16.124   8.785  -2.093
  792    HE2  PHE  96           HE2      PHE  96 -13.824   5.302  -1.219
  793    HZ   PHE  96           HZ       PHE  96 -14.709   6.917  -2.855
  794    H    GLU  97           H        GLU  97 -13.607   7.727   5.394
  795    HA   GLU  97           HA       GLU  97 -15.455   9.314   6.970
  796   1HB   GLU  97           HB2      GLU  97 -15.194   6.330   7.274
  797   2HB   GLU  97           HB3      GLU  97 -15.761   7.356   8.583
  798   1HG   GLU  97           HG2      GLU  97 -17.045   7.222   5.868
  799   2HG   GLU  97           HG3      GLU  97 -17.562   6.272   7.260
  800    H    GLY  98           H        GLY  98 -12.383   8.416   6.318
  801   1HA   GLY  98           HA3      GLY  98 -11.427   9.492   8.840
  802   2HA   GLY  98           HA2      GLY  98 -10.446   9.131   7.426
  803    H    ILE  99           H        ILE  99  -9.302   8.449   9.655
  804    HA   ILE  99           HA       ILE  99  -9.546   5.527   9.695
  805    HB   ILE  99           HB       ILE  99  -7.218   7.087  10.764
  806   1HG1  ILE  99          2HG1      ILE  99  -7.475   6.048   7.939
  807   2HG1  ILE  99          3HG1      ILE  99  -7.757   7.731   8.374
  808   1HG2  ILE  99          1HG2      ILE  99  -7.819   4.260  10.079
  809   2HG2  ILE  99          3HG2      ILE  99  -6.173   4.838   9.819
  810   3HG2  ILE  99          2HG2      ILE  99  -6.894   4.927  11.425
  811   1HD1  ILE  99          2HD1      ILE  99  -5.453   7.898   9.171
  812   2HD1  ILE  99          1HD1      ILE  99  -5.179   6.214   8.724
  813   3HD1  ILE  99          3HD1      ILE  99  -5.526   7.412   7.476
  814    H    LYS 100           H        LYS 100  -9.317   4.378  11.667
  815    HA   LYS 100           HA       LYS 100  -9.872   5.922  14.110
  816   1HB   LYS 100           HB2      LYS 100 -11.228   3.295  13.625
  817   2HB   LYS 100           HB3      LYS 100 -11.688   4.592  14.715
  818   1HG   LYS 100           HG2      LYS 100 -11.815   4.829  11.725
  819   2HG   LYS 100           HG3      LYS 100 -13.169   4.304  12.730
  820   1HD   LYS 100           HD2      LYS 100 -12.209   6.643  13.925
  821   2HD   LYS 100           HD3      LYS 100 -12.214   6.967  12.190
  822   1HE   LYS 100           HE2      LYS 100 -14.550   6.261  12.061
  823   2HE   LYS 100           HE3      LYS 100 -14.544   5.921  13.793
  824   1HZ   LYS 100           HZ2      LYS 100 -14.113   8.261  14.214
  825   2HZ   LYS 100           HZ1      LYS 100 -14.114   8.588  12.555
  826   3HZ   LYS 100           HZ3      LYS 100 -15.534   8.071  13.317
  827    HA   PRO 101           HA       PRO 101  -6.963   3.294  16.123
  828   1HB   PRO 101           HB2      PRO 101  -8.684   2.847  18.440
  829   2HB   PRO 101           HB3      PRO 101  -7.238   3.848  18.305
  830   1HG   PRO 101           HG2      PRO 101  -9.698   4.918  18.610
  831   2HG   PRO 101           HG3      PRO 101  -8.429   5.719  17.666
  832   1HD   PRO 101           HD2      PRO 101 -10.728   4.038  16.708
  833   2HD   PRO 101           HD3      PRO 101 -10.152   5.599  16.084
  834    H    GLU 102           H        GLU 102 -10.223   1.985  16.739
  835    HA   GLU 102           HA       GLU 102  -9.458  -0.651  17.216
  836   1HB   GLU 102           HB2      GLU 102 -11.818  -1.221  16.653
  837   2HB   GLU 102           HB3      GLU 102 -11.647   0.079  17.828
  838   1HG   GLU 102           HG2      GLU 102 -12.012   1.717  16.073
  839   2HG   GLU 102           HG3      GLU 102 -12.179   0.419  14.895
  840    H    ASN 103           H        ASN 103  -9.376   1.079  14.324
  841    HA   ASN 103           HA       ASN 103 -10.013  -0.864  12.416
  842   1HB   ASN 103           HB2      ASN 103  -8.186   1.528  12.357
  843   2HB   ASN 103           HB3      ASN 103  -8.413   0.502  10.944
  844   1HD2  ASN 103          1HD2      ASN 103 -11.027   0.959  13.156
  845   2HD2  ASN 103          2HD2      ASN 103 -11.971   2.000  12.152
  846    H    GLU 104           H        GLU 104  -8.817  -2.376  11.298
  847    HA   GLU 104           HA       GLU 104  -6.898  -3.835  12.655
  848   1HB   GLU 104           HB2      GLU 104  -8.384  -4.288  10.481
  849   2HB   GLU 104           HB3      GLU 104  -6.869  -3.898   9.683
  850   1HG   GLU 104           HG2      GLU 104  -5.760  -5.705  10.635
  851   2HG   GLU 104           HG3      GLU 104  -6.992  -5.929  11.875
  852    H    ARG 105           H        ARG 105  -4.656  -4.295  11.940
  853    HA   ARG 105           HA       ARG 105  -3.281  -1.895  10.928
  854   1HB   ARG 105           HB2      ARG 105  -3.088  -1.975  13.380
  855   2HB   ARG 105           HB3      ARG 105  -2.434  -3.603  13.281
  856   1HG   ARG 105           HG2      ARG 105  -0.486  -2.438  13.498
  857   2HG   ARG 105           HG3      ARG 105  -0.657  -2.408  11.737
  858   1HD   ARG 105           HD2      ARG 105  -1.446  -0.200  11.723
  859   2HD   ARG 105           HD3      ARG 105  -1.781  -0.224  13.457
  860    HE   ARG 105           HE       ARG 105   0.941  -0.654  13.145
  861   1HH1  ARG 105          1HH1      ARG 105  -1.378   1.864  12.492
  862   2HH1  ARG 105          2HH1      ARG 105  -0.231   3.148  12.677
  863   1HH2  ARG 105          1HH2      ARG 105   2.459   1.032  13.392
  864   2HH2  ARG 105          2HH2      ARG 105   1.951   2.675  13.189
  865    H    TYR 106           H        TYR 106  -1.117  -2.324  10.091
  866    HA   TYR 106           HA       TYR 106  -0.077  -4.922   9.741
  867   1HB   TYR 106           HB2      TYR 106  -2.035  -5.032   8.169
  868   2HB   TYR 106           HB3      TYR 106  -1.272  -3.755   7.224
  869    HD1  TYR 106           HD1      TYR 106   0.745  -4.216   5.919
  870    HD2  TYR 106           HD2      TYR 106  -1.153  -7.280   8.180
  871    HE1  TYR 106           HE1      TYR 106   2.037  -5.912   4.697
  872    HE2  TYR 106           HE2      TYR 106   0.136  -8.985   6.963
  873    HH   TYR 106           HH       TYR 106   1.306  -9.221   4.813
  874    H    THR 107           H        THR 107   1.554  -3.532  10.646
  875    HA   THR 107           HA       THR 107   2.771  -1.633   8.789
  876    HB   THR 107           HB       THR 107   3.541  -2.167  11.658
  877    HG1  THR 107           HG1      THR 107   1.497  -1.360  11.775
  878   1HG2  THR 107          1HG2      THR 107   5.261  -1.054  10.324
  879   2HG2  THR 107          3HG2      THR 107   4.092   0.164   9.821
  880   3HG2  THR 107          2HG2      THR 107   4.572   0.051  11.513
  881    H    LEU 108           H        LEU 108   4.006  -2.684   7.352
  882    HA   LEU 108           HA       LEU 108   5.662  -4.919   8.124
  883   1HB   LEU 108           HB2      LEU 108   4.605  -5.003   5.970
  884   2HB   LEU 108           HB3      LEU 108   5.288  -3.458   5.517
  885    HG   LEU 108           HG       LEU 108   7.509  -4.407   5.411
  886   1HD1  LEU 108          1HD1      LEU 108   7.323  -5.994   7.253
  887   2HD1  LEU 108          3HD1      LEU 108   6.236  -6.995   6.287
  888   3HD1  LEU 108          2HD1      LEU 108   7.915  -6.783   5.789
  889   1HD2  LEU 108          1HD2      LEU 108   6.079  -4.597   3.434
  890   2HD2  LEU 108          3HD2      LEU 108   7.222  -5.934   3.551
  891   3HD2  LEU 108          2HD2      LEU 108   5.532  -6.179   3.989
  892    H    HIS 109           H        HIS 109   7.169  -4.052   9.564
  893    HA   HIS 109           HA       HIS 109   8.772  -1.783   8.873
  894   1HB   HIS 109           HB2      HIS 109   8.724  -3.740  11.102
  895   2HB   HIS 109           HB3      HIS 109  10.201  -2.825  10.830
  896    HD1  HIS 109           HD1      HIS 109  10.253  -0.467  11.682
  897    HD2  HIS 109           HD2      HIS 109   6.433  -2.097  11.709
  898    HE1  HIS 109           HE1      HIS 109   8.821   1.201  12.902
  899    HE2  HIS 109           HE2      HIS 109   6.496   0.232  12.831
  900    H    LEU 110           H        LEU 110  10.871  -1.730   8.173
  901    HA   LEU 110           HA       LEU 110  12.186  -4.209   7.418
  902   1HB   LEU 110           HB2      LEU 110  11.475  -2.051   5.434
  903   2HB   LEU 110           HB3      LEU 110  12.557  -3.386   5.103
  904    HG   LEU 110           HG       LEU 110   9.639  -3.697   5.827
  905   1HD1  LEU 110          2HD1      LEU 110  10.999  -3.737   3.137
  906   2HD1  LEU 110          1HD1      LEU 110   9.335  -4.241   3.438
  907   3HD1  LEU 110          3HD1      LEU 110   9.811  -2.565   3.707
  908   1HD2  LEU 110          1HD2      LEU 110  11.187  -5.602   6.342
  909   2HD2  LEU 110          3HD2      LEU 110   9.886  -5.977   5.213
  910   3HD2  LEU 110          2HD2      LEU 110  11.521  -5.707   4.614
  911    H    ASN 111           H        ASN 111  13.963  -3.796   8.676
  912    HA   ASN 111           HA       ASN 111  15.285  -1.254   8.675
  913   1HB   ASN 111           HB2      ASN 111  15.379  -2.795  10.622
  914   2HB   ASN 111           HB3      ASN 111  16.290  -3.944   9.648
  915   1HD2  ASN 111          1HD2      ASN 111  18.429  -3.532   9.166
  916   2HD2  ASN 111          2HD2      ASN 111  19.342  -2.303   9.965
  917    H    VAL 112           H        VAL 112  15.354  -1.154   6.316
  918    HA   VAL 112           HA       VAL 112  16.631  -2.842   4.582
  919    HB   VAL 112           HB       VAL 112  17.005   0.127   4.321
  920   1HG1  VAL 112          3HG1      VAL 112  17.951  -1.331   2.603
  921   2HG1  VAL 112          2HG1      VAL 112  16.362  -2.051   2.341
  922   3HG1  VAL 112          1HG1      VAL 112  16.635  -0.351   1.959
  923   1HG2  VAL 112          2HG2      VAL 112  14.436  -1.417   4.034
  924   2HG2  VAL 112          1HG2      VAL 112  14.750  -0.011   5.051
  925   3HG2  VAL 112          3HG2      VAL 112  14.706   0.163   3.296
  926    H    LYS 113           H        LYS 113  18.717  -3.027   3.745
  927    HA   LYS 113           HA       LYS 113  20.825  -2.603   5.648
  928   1HB   LYS 113           HB2      LYS 113  20.842  -3.731   2.845
  929   2HB   LYS 113           HB3      LYS 113  22.243  -3.695   3.905
  930   1HG   LYS 113           HG2      LYS 113  19.678  -5.074   4.640
  931   2HG   LYS 113           HG3      LYS 113  20.994  -5.877   3.783
  932   1HD   LYS 113           HD2      LYS 113  21.595  -6.423   5.905
  933   2HD   LYS 113           HD3      LYS 113  22.397  -4.854   5.804
  934   1HE   LYS 113           HE2      LYS 113  20.480  -3.799   6.887
  935   2HE   LYS 113           HE3      LYS 113  19.661  -5.357   6.969
  936   1HZ   LYS 113           HZ2      LYS 113  21.434  -6.171   8.396
  937   2HZ   LYS 113           HZ1      LYS 113  22.217  -4.674   8.317
  938   3HZ   LYS 113           HZ3      LYS 113  20.707  -4.800   9.070

  No H/Q in entry =         938
  Start of MODEL   17
    1    H1   GLY  -2           HT2      GLY  -2 -12.356 -27.009  16.603
    2    H2   GLY  -2           HT1      GLY  -2 -13.439 -27.735  17.681
    3    H3   GLY  -2           HT3      GLY  -2 -13.941 -27.339  16.114
    4   1HA   GLY  -2           HA2      GLY  -2 -13.155 -25.408  18.229
    5   2HA   GLY  -2           HA3      GLY  -2 -14.802 -25.749  17.718
    6    H    SER  -1           H        SER  -1 -12.714 -23.403  17.574
    7    HA   SER  -1           HA       SER  -1 -13.680 -22.462  14.992
    8   1HB   SER  -1           HB2      SER  -1 -13.928 -20.972  16.922
    9   2HB   SER  -1           HB3      SER  -1 -12.184 -21.009  17.188
   10    HG   SER  -1           HG       SER  -1 -11.923 -19.611  15.635
   11    H    HIS   0           H        HIS   0 -12.489 -22.711  13.232
   12    HA   HIS   0           HA       HIS   0  -9.563 -22.524  13.464
   13   1HB   HIS   0           HB2      HIS   0 -11.093 -24.536  11.800
   14   2HB   HIS   0           HB3      HIS   0  -9.347 -24.311  11.765
   15    HD1  HIS   0           HD1      HIS   0  -7.986 -25.421  13.590
   16    HD2  HIS   0           HD2      HIS   0 -12.084 -25.719  14.204
   17    HE1  HIS   0           HE1      HIS   0  -8.265 -27.051  15.483
   18    HE2  HIS   0           HE2      HIS   0 -10.749 -27.150  15.894
   19    H    MET   1           H        MET   1 -12.037 -20.906  12.432
   20    HA   MET   1           HA       MET   1 -11.697 -20.555   9.657
   21   1HB   MET   1           HB2      MET   1 -12.760 -18.607  11.711
   22   2HB   MET   1           HB3      MET   1 -12.956 -18.459   9.970
   23   1HG   MET   1           HG2      MET   1 -14.236 -20.539   9.938
   24   2HG   MET   1           HG3      MET   1 -14.046 -20.679  11.685
   25   1HE   MET   1           HE1      MET   1 -16.868 -20.781  10.196
   26   2HE   MET   1           HE3      MET   1 -16.689 -20.921  11.945
   27   3HE   MET   1           HE2      MET   1 -17.842 -19.772  11.265
   28    H    ILE   2           H        ILE   2 -10.752 -18.787   8.514
   29    HA   ILE   2           HA       ILE   2  -8.311 -17.802   9.811
   30    HB   ILE   2           HB       ILE   2  -8.030 -19.068   7.715
   31   1HG1  ILE   2          2HG1      ILE   2  -6.628 -17.388   6.520
   32   2HG1  ILE   2          3HG1      ILE   2  -7.328 -16.130   7.533
   33   1HG2  ILE   2          3HG2      ILE   2 -10.124 -18.486   6.633
   34   2HG2  ILE   2          2HG2      ILE   2  -9.591 -16.814   6.464
   35   3HG2  ILE   2          1HG2      ILE   2  -8.760 -18.098   5.586
   36   1HD1  ILE   2          3HD1      ILE   2  -5.689 -18.458   8.502
   37   2HD1  ILE   2          2HD1      ILE   2  -5.135 -16.793   8.331
   38   3HD1  ILE   2          1HD1      ILE   2  -6.383 -17.190   9.512
   39    H    ALA   3           H        ALA   3 -11.365 -16.782   8.674
   40    HA   ALA   3           HA       ALA   3 -10.922 -14.172   7.850
   41   1HB   ALA   3           HB2      ALA   3 -13.083 -15.313   7.671
   42   2HB   ALA   3           HB1      ALA   3 -13.280 -15.207   9.420
   43   3HB   ALA   3           HB3      ALA   3 -13.240 -13.737   8.446
   44    HA   PRO   4           HA       PRO   4  -9.628 -11.977  11.460
   45   1HB   PRO   4           HB2      PRO   4 -10.589  -9.499  10.945
   46   2HB   PRO   4           HB3      PRO   4  -9.218 -10.189  10.071
   47   1HG   PRO   4           HG2      PRO   4 -12.095 -10.014   9.253
   48   2HG   PRO   4           HG3      PRO   4 -10.638  -9.696   8.292
   49   1HD   PRO   4           HD2      PRO   4 -12.020 -12.022   8.130
   50   2HD   PRO   4           HD3      PRO   4 -10.263 -11.934   7.893
   51    H    LEU   5           H        LEU   5 -10.343 -11.291  13.458
   52    HA   LEU   5           HA       LEU   5 -13.227 -10.966  13.856
   53   1HB   LEU   5           HB2      LEU   5 -11.464 -12.809  15.471
   54   2HB   LEU   5           HB3      LEU   5 -13.123 -12.405  15.866
   55    HG   LEU   5           HG       LEU   5 -12.271 -13.826  13.342
   56   1HD1  LEU   5          1HD1      LEU   5 -13.474 -14.935  15.873
   57   2HD1  LEU   5          3HD1      LEU   5 -13.197 -15.834  14.381
   58   3HD1  LEU   5          2HD1      LEU   5 -11.829 -15.205  15.298
   59   1HD2  LEU   5          3HD2      LEU   5 -14.346 -12.568  13.111
   60   2HD2  LEU   5          2HD2      LEU   5 -14.652 -14.304  13.099
   61   3HD2  LEU   5          1HD2      LEU   5 -14.994 -13.359  14.548
   62    H    SER   6           H        SER   6 -10.243 -11.122  15.812
   63    HA   SER   6           HA       SER   6 -10.596  -8.345  16.591
   64   1HB   SER   6           HB2      SER   6 -10.585 -10.585  18.629
   65   2HB   SER   6           HB3      SER   6 -10.489  -8.866  19.009
   66    HG   SER   6           HG       SER   6 -12.624 -10.068  17.580
   67    H    VAL   7           H        VAL   7  -8.783 -11.119  17.905
   68    HA   VAL   7           HA       VAL   7  -6.352  -9.568  17.932
   69    HB   VAL   7           HB       VAL   7  -5.326 -11.718  18.782
   70   1HG1  VAL   7          1HG1      VAL   7  -7.683 -10.571  20.274
   71   2HG1  VAL   7          3HG1      VAL   7  -6.393 -11.537  20.991
   72   3HG1  VAL   7          2HG1      VAL   7  -6.028  -9.959  20.292
   73   1HG2  VAL   7          2HG2      VAL   7  -6.922 -13.274  17.784
   74   2HG2  VAL   7          1HG2      VAL   7  -6.845 -13.475  19.534
   75   3HG2  VAL   7          3HG2      VAL   7  -8.204 -12.621  18.802
   76    H    LYS   8           H        LYS   8  -4.989  -9.401  16.296
   77    HA   LYS   8           HA       LYS   8  -4.395 -11.657  14.598
   78   1HB   LYS   8           HB2      LYS   8  -5.665  -9.140  13.538
   79   2HB   LYS   8           HB3      LYS   8  -4.748 -10.235  12.523
   80   1HG   LYS   8           HG2      LYS   8  -7.209 -10.991  14.081
   81   2HG   LYS   8           HG3      LYS   8  -7.177 -10.584  12.365
   82   1HD   LYS   8           HD2      LYS   8  -5.656 -12.462  11.953
   83   2HD   LYS   8           HD3      LYS   8  -5.705 -12.873  13.669
   84   1HE   LYS   8           HE2      LYS   8  -8.116 -13.261  13.502
   85   2HE   LYS   8           HE3      LYS   8  -8.061 -12.859  11.787
   86   1HZ   LYS   8           HZ3      LYS   8  -6.637 -15.127  13.072
   87   2HZ   LYS   8           HZ2      LYS   8  -8.045 -15.248  12.143
   88   3HZ   LYS   8           HZ1      LYS   8  -6.600 -14.744  11.425
   89    H    ASP   9           H        ASP   9  -2.312 -11.635  14.105
   90    HA   ASP   9           HA       ASP   9  -0.654  -9.489  15.002
   91   1HB   ASP   9           HB2      ASP   9   0.082 -11.973  13.445
   92   2HB   ASP   9           HB3      ASP   9   1.192 -10.917  14.299
   93    H    ASN  10           H        ASN  10  -0.023  -7.785  13.847
   94    HA   ASN  10           HA       ASN  10  -0.158  -7.959  10.919
   95   1HB   ASN  10           HB2      ASN  10  -0.407  -5.310  11.373
   96   2HB   ASN  10           HB3      ASN  10  -1.769  -6.404  11.173
   97   1HD2  ASN  10          1HD2      ASN  10  -0.015  -4.373  13.301
   98   2HD2  ASN  10          2HD2      ASN  10  -1.053  -4.530  14.674
   99    H    ASP  11           H        ASP  11   1.018  -5.339  12.892
  100    HA   ASP  11           HA       ASP  11   3.113  -4.449  11.574
  101   1HB   ASP  11           HB2      ASP  11   3.354  -5.003  14.530
  102   2HB   ASP  11           HB3      ASP  11   4.103  -3.699  13.614
  103    H    LYS  12           H        LYS  12   4.388  -5.701  10.366
  104    HA   LYS  12           HA       LYS  12   5.765  -7.969  11.565
  105   1HB   LYS  12           HB2      LYS  12   4.784  -8.434   9.433
  106   2HB   LYS  12           HB3      LYS  12   5.496  -6.993   8.722
  107   1HG   LYS  12           HG2      LYS  12   6.890  -8.596   7.900
  108   2HG   LYS  12           HG3      LYS  12   7.739  -8.152   9.379
  109   1HD   LYS  12           HD2      LYS  12   5.765 -10.415   9.305
  110   2HD   LYS  12           HD3      LYS  12   7.460 -10.647   8.875
  111   1HE   LYS  12           HE2      LYS  12   8.110  -9.773  11.089
  112   2HE   LYS  12           HE3      LYS  12   6.405  -9.633  11.512
  113   1HZ   LYS  12           HZ3      LYS  12   7.802 -12.159  10.819
  114   2HZ   LYS  12           HZ2      LYS  12   7.375 -11.667  12.380
  115   3HZ   LYS  12           HZ1      LYS  12   6.171 -12.017  11.245
  116    H    TRP  13           H        TRP  13   7.260  -6.959  12.882
  117    HA   TRP  13           HA       TRP  13   9.009  -4.910  11.929
  118   1HB   TRP  13           HB2      TRP  13   9.452  -6.527  14.419
  119   2HB   TRP  13           HB3      TRP  13   9.810  -4.833  14.117
  120    HD1  TRP  13           HD1      TRP  13   6.805  -7.139  14.809
  121    HE1  TRP  13           HE1      TRP  13   4.884  -5.722  15.768
  122    HE3  TRP  13           HE3      TRP  13   8.923  -2.501  14.388
  123    HZ2  TRP  13           HZ2      TRP  13   4.325  -3.000  16.272
  124    HZ3  TRP  13           HZ3      TRP  13   7.632  -0.546  15.142
  125    HH2  TRP  13           HH2      TRP  13   5.387  -0.792  16.069
  126    H    VAL  14           H        VAL  14  10.418  -5.479  10.344
  127    HA   VAL  14           HA       VAL  14  12.381  -7.543  11.005
  128    HB   VAL  14           HB       VAL  14  12.178  -8.631   8.775
  129   1HG1  VAL  14          3HG1      VAL  14  11.239  -9.693  10.753
  130   2HG1  VAL  14          2HG1      VAL  14   9.729  -8.813  10.524
  131   3HG1  VAL  14          1HG1      VAL  14  10.239 -10.014   9.337
  132   1HG2  VAL  14          3HG2      VAL  14   9.616  -7.050   8.619
  133   2HG2  VAL  14          2HG2      VAL  14  11.023  -6.888   7.567
  134   3HG2  VAL  14          1HG2      VAL  14  10.062  -8.367   7.535
  135    H    ASP  15           H        ASP  15  13.777  -7.781   8.765
  136    HA   ASP  15           HA       ASP  15  14.612  -5.032   8.121
  137   1HB   ASP  15           HB2      ASP  15  16.857  -5.811   7.965
  138   2HB   ASP  15           HB3      ASP  15  16.192  -6.507   9.443
  139    H    THR  16           H        THR  16  16.121  -5.260   5.947
  140    HA   THR  16           HA       THR  16  15.255  -7.085   3.978
  141    HB   THR  16           HB       THR  16  13.179  -5.593   4.397
  142    HG1  THR  16           HG1      THR  16  12.714  -6.575   2.586
  143   1HG2  THR  16          1HG2      THR  16  14.420  -3.453   4.268
  144   2HG2  THR  16          3HG2      THR  16  14.726  -3.774   2.562
  145   3HG2  THR  16          2HG2      THR  16  13.074  -3.547   3.132
  146    H    HIS  17           H        HIS  17  15.512  -5.853   1.656
  147    HA   HIS  17           HA       HIS  17  18.142  -4.533   1.778
  148   1HB   HIS  17           HB2      HIS  17  17.003  -6.592  -0.053
  149   2HB   HIS  17           HB3      HIS  17  18.153  -5.441  -0.721
  150    HD1  HIS  17           HD1      HIS  17  17.918  -8.504   1.289
  151    HD2  HIS  17           HD2      HIS  17  20.764  -5.575   0.515
  152    HE1  HIS  17           HE1      HIS  17  20.109  -9.477   2.050
  153    HE2  HIS  17           HE2      HIS  17  21.804  -7.659   1.641
  154    H    VAL  18           H        VAL  18  18.307  -3.639  -0.843
  155    HA   VAL  18           HA       VAL  18  16.434  -1.415  -0.723
  156    HB   VAL  18           HB       VAL  18  18.791  -0.894  -1.046
  157   1HG1  VAL  18          3HG1      VAL  18  19.477  -2.908  -2.228
  158   2HG1  VAL  18          2HG1      VAL  18  18.538  -2.416  -3.638
  159   3HG1  VAL  18          1HG1      VAL  18  19.937  -1.467  -3.135
  160   1HG2  VAL  18          1HG2      VAL  18  17.135   0.634  -1.969
  161   2HG2  VAL  18          3HG2      VAL  18  18.577   0.591  -2.983
  162   3HG2  VAL  18          2HG2      VAL  18  17.123  -0.274  -3.481
  163    H    GLY  19           H        GLY  19  14.907  -0.924  -2.162
  164   1HA   GLY  19           HA3      GLY  19  14.658  -1.765  -4.800
  165   2HA   GLY  19           HA2      GLY  19  13.340  -1.206  -3.794
  166    H    LYS  20           H        LYS  20  14.072  -3.598  -1.951
  167    HA   LYS  20           HA       LYS  20  13.470  -5.928  -3.435
  168   1HB   LYS  20           HB2      LYS  20  14.309  -5.428  -0.879
  169   2HB   LYS  20           HB3      LYS  20  12.654  -5.933  -0.611
  170   1HG   LYS  20           HG2      LYS  20  13.811  -7.914  -0.467
  171   2HG   LYS  20           HG3      LYS  20  13.258  -7.919  -2.146
  172   1HD   LYS  20           HD2      LYS  20  15.365  -7.331  -2.962
  173   2HD   LYS  20           HD3      LYS  20  15.898  -6.760  -1.384
  174   1HE   LYS  20           HE2      LYS  20  16.962  -8.885  -1.954
  175   2HE   LYS  20           HE3      LYS  20  15.909  -9.060  -0.551
  176   1HZ   LYS  20           HZ3      LYS  20  14.204  -9.988  -1.992
  177   2HZ   LYS  20           HZ2      LYS  20  15.217  -9.822  -3.337
  178   3HZ   LYS  20           HZ1      LYS  20  15.631 -10.893  -2.095
  179    H    THR  21           H        THR  21  11.706  -5.213  -4.731
  180    HA   THR  21           HA       THR  21   9.306  -4.156  -3.951
  181    HB   THR  21           HB       THR  21   9.491  -6.350  -6.013
  182    HG1  THR  21           HG1      THR  21  10.978  -4.231  -5.989
  183   1HG2  THR  21          1HG2      THR  21   7.723  -3.913  -5.740
  184   2HG2  THR  21          3HG2      THR  21   7.728  -5.014  -7.119
  185   3HG2  THR  21          2HG2      THR  21   7.237  -5.595  -5.528
  186    H    THR  22           H        THR  22   8.426  -4.832  -2.064
  187    HA   THR  22           HA       THR  22   7.892  -7.673  -1.668
  188    HB   THR  22           HB       THR  22   7.506  -5.295   0.162
  189    HG1  THR  22           HG1      THR  22   9.171  -7.389   0.867
  190   1HG2  THR  22          1HG2      THR  22   5.797  -7.003   0.607
  191   2HG2  THR  22          3HG2      THR  22   7.061  -8.225   0.750
  192   3HG2  THR  22          2HG2      THR  22   6.971  -6.907   1.920
  193    H    GLU  23           H        GLU  23   6.227  -8.294  -2.878
  194    HA   GLU  23           HA       GLU  23   3.905  -6.704  -3.322
  195   1HB   GLU  23           HB2      GLU  23   4.847  -8.428  -4.897
  196   2HB   GLU  23           HB3      GLU  23   4.268  -9.663  -3.788
  197   1HG   GLU  23           HG2      GLU  23   1.985  -8.970  -4.124
  198   2HG   GLU  23           HG3      GLU  23   2.525  -7.610  -5.111
  199    H    ILE  24           H        ILE  24   2.318  -6.423  -1.949
  200    HA   ILE  24           HA       ILE  24   1.776  -8.535   0.028
  201    HB   ILE  24           HB       ILE  24   1.283  -5.585   0.316
  202   1HG1  ILE  24          2HG1      ILE  24   3.376  -7.325   1.630
  203   2HG1  ILE  24          3HG1      ILE  24   3.687  -6.182   0.327
  204   1HG2  ILE  24          1HG2      ILE  24  -0.320  -6.957   1.541
  205   2HG2  ILE  24          3HG2      ILE  24   1.006  -7.833   2.307
  206   3HG2  ILE  24          2HG2      ILE  24   0.767  -6.118   2.648
  207   1HD1  ILE  24          3HD1      ILE  24   2.896  -4.365   1.808
  208   2HD1  ILE  24          2HD1      ILE  24   2.765  -5.545   3.112
  209   3HD1  ILE  24          1HD1      ILE  24   4.336  -5.194   2.395
  210    H    HIS  25           H        HIS  25   0.206  -9.600  -1.118
  211    HA   HIS  25           HA       HIS  25  -2.087  -8.165  -2.152
  212   1HB   HIS  25           HB2      HIS  25  -1.189 -11.025  -2.171
  213   2HB   HIS  25           HB3      HIS  25  -2.857 -10.631  -2.541
  214    HD1  HIS  25           HD1      HIS  25  -2.649 -11.368  -4.991
  215    HD2  HIS  25           HD2      HIS  25   0.005  -8.360  -3.914
  216    HE1  HIS  25           HE1      HIS  25  -1.679 -10.524  -7.151
  217    HE2  HIS  25           HE2      HIS  25  -0.147  -8.640  -6.480
  218    H    LEU  26           H        LEU  26  -3.412  -7.404  -0.616
  219    HA   LEU  26           HA       LEU  26  -3.917  -9.035   1.767
  220   1HB   LEU  26           HB2      LEU  26  -4.761  -6.217   1.124
  221   2HB   LEU  26           HB3      LEU  26  -4.981  -7.023   2.664
  222    HG   LEU  26           HG       LEU  26  -2.276  -6.471   1.441
  223   1HD1  LEU  26          1HD1      LEU  26  -3.431  -4.370   1.899
  224   2HD1  LEU  26          3HD1      LEU  26  -3.762  -4.907   3.546
  225   3HD1  LEU  26          2HD1      LEU  26  -2.100  -4.628   3.028
  226   1HD2  LEU  26          1HD2      LEU  26  -2.388  -8.325   3.064
  227   2HD2  LEU  26          3HD2      LEU  26  -1.428  -6.966   3.648
  228   3HD2  LEU  26          2HD2      LEU  26  -3.067  -7.214   4.255
  229    H    LYS  27           H        LYS  27  -6.141  -9.239   2.562
  230    HA   LYS  27           HA       LYS  27  -7.974  -9.735   0.330
  231   1HB   LYS  27           HB2      LYS  27  -8.353 -10.617   3.185
  232   2HB   LYS  27           HB3      LYS  27  -9.140 -11.246   1.748
  233   1HG   LYS  27           HG2      LYS  27  -6.198 -11.513   2.320
  234   2HG   LYS  27           HG3      LYS  27  -7.408 -12.748   2.679
  235   1HD   LYS  27           HD2      LYS  27  -7.990 -12.862   0.302
  236   2HD   LYS  27           HD3      LYS  27  -6.776 -11.631  -0.054
  237   1HE   LYS  27           HE2      LYS  27  -5.023 -13.115   0.782
  238   2HE   LYS  27           HE3      LYS  27  -6.234 -14.344   1.147
  239   1HZ   LYS  27           HZ1      LYS  27  -5.618 -13.284  -1.557
  240   2HZ   LYS  27           HZ3      LYS  27  -5.123 -14.784  -0.952
  241   3HZ   LYS  27           HZ2      LYS  27  -6.766 -14.473  -1.202
  242    H    GLY  28           H        GLY  28 -10.305  -9.291   0.748
  243   1HA   GLY  28           HA3      GLY  28 -10.535  -6.619   1.940
  244   2HA   GLY  28           HA2      GLY  28 -11.643  -7.869   2.471
  245    H    ASN  29           H        ASN  29 -12.476  -5.462   1.321
  246    HA   ASN  29           HA       ASN  29 -13.012  -5.715  -1.454
  247   1HB   ASN  29           HB2      ASN  29 -14.482  -7.525  -0.443
  248   2HB   ASN  29           HB3      ASN  29 -15.396  -6.232   0.324
  249   1HD2  ASN  29          1HD2      ASN  29 -17.266  -6.752  -0.793
  250   2HD2  ASN  29          2HD2      ASN  29 -17.462  -6.411  -2.474
  251    HA   PRO  30           HA       PRO  30 -13.342  -1.333  -0.654
  252   1HB   PRO  30           HB2      PRO  30 -14.891  -1.445  -3.201
  253   2HB   PRO  30           HB3      PRO  30 -13.562  -0.376  -2.740
  254   1HG   PRO  30           HG2      PRO  30 -13.144  -2.408  -4.399
  255   2HG   PRO  30           HG3      PRO  30 -11.950  -1.998  -3.154
  256   1HD   PRO  30           HD2      PRO  30 -13.916  -4.239  -3.233
  257   2HD   PRO  30           HD3      PRO  30 -12.268  -4.206  -2.578
  258    H    THR  31           H        THR  31 -16.255  -2.670  -2.237
  259    HA   THR  31           HA       THR  31 -17.958  -0.936  -0.687
  260    HB   THR  31           HB       THR  31 -18.573  -1.315  -2.981
  261    HG1  THR  31           HG1      THR  31 -20.598  -1.311  -2.386
  262   1HG2  THR  31          3HG2      THR  31 -17.548  -3.513  -3.273
  263   2HG2  THR  31          2HG2      THR  31 -18.786  -4.234  -2.247
  264   3HG2  THR  31          1HG2      THR  31 -19.230  -3.526  -3.800
  265    H    THR  32           H        THR  32 -16.679  -2.419   1.140
  266    HA   THR  32           HA       THR  32 -18.832  -4.088   2.198
  267    HB   THR  32           HB       THR  32 -15.958  -4.981   1.967
  268    HG1  THR  32           HG1      THR  32 -18.314  -6.351   1.171
  269   1HG2  THR  32          2HG2      THR  32 -18.227  -6.241   3.512
  270   2HG2  THR  32          1HG2      THR  32 -16.653  -6.981   3.224
  271   3HG2  THR  32          3HG2      THR  32 -16.773  -5.515   4.198
  272    H    GLY  33           H        GLY  33 -15.478  -3.280   3.147
  273   1HA   GLY  33           HA3      GLY  33 -15.248  -3.175   5.670
  274   2HA   GLY  33           HA2      GLY  33 -16.604  -2.064   5.591
  275    H    TYR  34           H        TYR  34 -13.346  -2.253   5.876
  276    HA   TYR  34           HA       TYR  34 -13.043   0.575   5.223
  277   1HB   TYR  34           HB2      TYR  34 -11.141  -1.265   6.687
  278   2HB   TYR  34           HB3      TYR  34 -11.013   0.482   6.571
  279    HD1  TYR  34           HD1      TYR  34 -13.584  -2.030   7.636
  280    HD2  TYR  34           HD2      TYR  34 -11.621   1.657   8.463
  281    HE1  TYR  34           HE1      TYR  34 -14.885  -1.806   9.709
  282    HE2  TYR  34           HE2      TYR  34 -12.919   1.887  10.535
  283    HH   TYR  34           HH       TYR  34 -14.705  -0.653  11.881
  284    H    MET  35           H        MET  35 -10.435   0.889   4.735
  285    HA   MET  35           HA       MET  35  -9.961  -0.586   2.245
  286   1HB   MET  35           HB2      MET  35 -10.212   1.622   1.567
  287   2HB   MET  35           HB3      MET  35  -9.528   2.261   3.058
  288   1HG   MET  35           HG2      MET  35  -7.310   1.436   2.333
  289   2HG   MET  35           HG3      MET  35  -8.037   0.961   0.813
  290   1HE   MET  35           HE2      MET  35  -9.930   3.045  -0.123
  291   2HE   MET  35           HE1      MET  35  -8.952   4.294  -0.894
  292   3HE   MET  35           HE3      MET  35  -8.584   2.592  -1.168
  293    H    TRP  36           H        TRP  36  -7.812  -1.142   1.747
  294    HA   TRP  36           HA       TRP  36  -6.051  -1.279   4.095
  295   1HB   TRP  36           HB2      TRP  36  -6.692  -3.167   1.933
  296   2HB   TRP  36           HB3      TRP  36  -4.988  -3.046   2.337
  297    HD1  TRP  36           HD1      TRP  36  -7.825  -5.069   3.188
  298    HE1  TRP  36           HE1      TRP  36  -7.597  -6.143   5.516
  299    HE3  TRP  36           HE3      TRP  36  -4.023  -2.198   5.031
  300    HZ2  TRP  36           HZ2      TRP  36  -6.013  -5.811   7.831
  301    HZ3  TRP  36           HZ3      TRP  36  -3.209  -2.637   7.304
  302    HH2  TRP  36           HH2      TRP  36  -4.185  -4.406   8.677
  303    H    THR  37           H        THR  37  -5.135   0.764   3.783
  304    HA   THR  37           HA       THR  37  -3.220   0.876   1.550
  305    HB   THR  37           HB       THR  37  -5.212   2.315   1.048
  306    HG1  THR  37           HG1      THR  37  -3.170   4.159   1.402
  307   1HG2  THR  37          2HG2      THR  37  -5.720   3.000   3.342
  308   2HG2  THR  37          1HG2      THR  37  -4.201   3.892   3.418
  309   3HG2  THR  37          3HG2      THR  37  -5.468   4.403   2.302
  310    H    ARG  38           H        ARG  38  -2.041   3.364   2.232
  311    HA   ARG  38           HA       ARG  38  -0.655   2.555   4.658
  312   1HB   ARG  38           HB2      ARG  38   0.000   4.263   2.334
  313   2HB   ARG  38           HB3      ARG  38   0.683   4.755   3.869
  314   1HG   ARG  38           HG2      ARG  38   1.859   2.756   4.123
  315   2HG   ARG  38           HG3      ARG  38   0.964   1.983   2.814
  316   1HD   ARG  38           HD2      ARG  38   3.307   2.778   2.302
  317   2HD   ARG  38           HD3      ARG  38   2.065   3.230   1.172
  318    HE   ARG  38           HE       ARG  38   2.145   5.457   2.154
  319   1HH1  ARG  38          1HH1      ARG  38   4.748   3.276   2.936
  320   2HH1  ARG  38          2HH1      ARG  38   5.896   4.539   3.230
  321   1HH2  ARG  38          1HH2      ARG  38   3.669   7.132   2.518
  322   2HH2  ARG  38          2HH2      ARG  38   5.282   6.726   2.997
  323    H    VAL  39           H        VAL  39  -0.152   4.099   6.346
  324    HA   VAL  39           HA       VAL  39  -2.485   5.555   7.148
  325    HB   VAL  39           HB       VAL  39   0.225   5.494   8.484
  326   1HG1  VAL  39          2HG1      VAL  39  -1.200   7.306   9.259
  327   2HG1  VAL  39          1HG1      VAL  39  -2.512   6.167   9.557
  328   3HG1  VAL  39          3HG1      VAL  39  -1.030   6.074  10.508
  329   1HG2  VAL  39          1HG2      VAL  39  -0.997   3.252   8.041
  330   2HG2  VAL  39          3HG2      VAL  39  -0.373   3.590   9.656
  331   3HG2  VAL  39          2HG2      VAL  39  -2.094   3.794   9.312
  332    H    GLY  40           H        GLY  40  -2.886   7.685   7.033
  333   1HA   GLY  40           HA3      GLY  40  -0.745   9.611   6.743
  334   2HA   GLY  40           HA2      GLY  40  -2.461   9.966   6.865
  335    H    PHE  41           H        PHE  41  -2.407   7.685   4.605
  336    HA   PHE  41           HA       PHE  41  -2.212   9.642   2.420
  337   1HB   PHE  41           HB2      PHE  41  -1.261   6.777   2.267
  338   2HB   PHE  41           HB3      PHE  41  -1.144   7.993   0.999
  339    HD1  PHE  41           HD1      PHE  41   0.414   6.522   3.831
  340    HD2  PHE  41           HD2      PHE  41   0.279  10.054   1.472
  341    HE1  PHE  41           HE1      PHE  41   2.600   7.205   4.739
  342    HE2  PHE  41           HE2      PHE  41   2.467  10.746   2.364
  343    HZ   PHE  41           HZ       PHE  41   3.629   9.320   4.003
  344    H    VAL  42           H        VAL  42  -4.105   7.637   4.125
  345    HA   VAL  42           HA       VAL  42  -5.584   6.148   2.314
  346    HB   VAL  42           HB       VAL  42  -6.782   7.566   4.689
  347   1HG1  VAL  42          3HG1      VAL  42  -8.290   6.346   3.136
  348   2HG1  VAL  42          2HG1      VAL  42  -7.395   4.870   3.495
  349   3HG1  VAL  42          1HG1      VAL  42  -8.280   5.697   4.776
  350   1HG2  VAL  42          1HG2      VAL  42  -4.554   6.393   5.130
  351   2HG2  VAL  42          3HG2      VAL  42  -5.926   5.954   6.143
  352   3HG2  VAL  42          2HG2      VAL  42  -5.431   4.895   4.825
  353    H    GLY  43           H        GLY  43  -6.710   6.736   0.591
  354   1HA   GLY  43           HA3      GLY  43  -8.290   9.206   0.684
  355   2HA   GLY  43           HA2      GLY  43  -8.497   7.888  -0.463
  356    H    LYS  44           H        LYS  44  -5.343   9.150   0.266
  357    HA   LYS  44           HA       LYS  44  -5.210  11.078  -1.804
  358   1HB   LYS  44           HB2      LYS  44  -3.018   9.595  -0.347
  359   2HB   LYS  44           HB3      LYS  44  -2.769  10.985  -1.385
  360   1HG   LYS  44           HG2      LYS  44  -4.265  12.286   0.146
  361   2HG   LYS  44           HG3      LYS  44  -4.234  10.897   1.236
  362   1HD   LYS  44           HD2      LYS  44  -1.794  11.065   1.375
  363   2HD   LYS  44           HD3      LYS  44  -1.832  12.463   0.298
  364   1HE   LYS  44           HE2      LYS  44  -3.132  12.283   3.011
  365   2HE   LYS  44           HE3      LYS  44  -1.641  13.144   2.635
  366   1HZ   LYS  44           HZ1      LYS  44  -2.891  14.585   1.150
  367   2HZ   LYS  44           HZ3      LYS  44  -4.323  13.761   1.520
  368   3HZ   LYS  44           HZ2      LYS  44  -3.523  14.648   2.718
  369    H    ASP  45           H        ASP  45  -3.425  10.854  -3.533
  370    HA   ASP  45           HA       ASP  45  -4.143   8.677  -5.228
  371   1HB   ASP  45           HB2      ASP  45  -2.149  10.929  -5.478
  372   2HB   ASP  45           HB3      ASP  45  -2.394   9.726  -6.734
  373    H    VAL  46           H        VAL  46  -0.970   9.765  -4.041
  374    HA   VAL  46           HA       VAL  46  -0.041   6.973  -4.165
  375    HB   VAL  46           HB       VAL  46   1.134   8.634  -5.620
  376   1HG1  VAL  46          1HG1      VAL  46   2.050   9.762  -2.980
  377   2HG1  VAL  46          3HG1      VAL  46   2.700  10.198  -4.559
  378   3HG1  VAL  46          2HG1      VAL  46   1.022  10.570  -4.165
  379   1HG2  VAL  46          3HG2      VAL  46   2.220   6.565  -4.942
  380   2HG2  VAL  46          2HG2      VAL  46   3.392   7.882  -5.021
  381   3HG2  VAL  46          1HG2      VAL  46   2.786   7.332  -3.458
  382    H    LEU  47           H        LEU  47   0.933   6.044  -2.438
  383    HA   LEU  47           HA       LEU  47   0.556   7.372   0.125
  384   1HB   LEU  47           HB2      LEU  47   1.622   4.609  -0.150
  385   2HB   LEU  47           HB3      LEU  47   0.606   5.283   1.105
  386    HG   LEU  47           HG       LEU  47  -0.309   4.627  -1.696
  387   1HD1  LEU  47          1HD1      LEU  47  -0.751   3.169   0.907
  388   2HD1  LEU  47          3HD1      LEU  47  -1.525   2.779  -0.629
  389   3HD1  LEU  47          2HD1      LEU  47   0.222   2.609  -0.454
  390   1HD2  LEU  47          1HD2      LEU  47  -1.859   5.491   0.739
  391   2HD2  LEU  47          3HD2      LEU  47  -1.569   6.457  -0.707
  392   3HD2  LEU  47          2HD2      LEU  47  -2.555   4.998  -0.804
  393    H    SER  48           H        SER  48   3.075   5.590  -1.592
  394    HA   SER  48           HA       SER  48   5.227   5.957   0.057
  395   1HB   SER  48           HB2      SER  48   6.588   5.497  -1.847
  396   2HB   SER  48           HB3      SER  48   5.086   4.612  -2.077
  397    HG   SER  48           HG       SER  48   4.696   6.957  -3.154
  398    H    ASP  49           H        ASP  49   7.258   7.295  -0.781
  399    HA   ASP  49           HA       ASP  49   6.618   9.972  -1.648
  400   1HB   ASP  49           HB2      ASP  49   7.486   9.403   1.181
  401   2HB   ASP  49           HB3      ASP  49   7.751  10.968   0.417
  402    H    GLU  50           H        GLU  50   9.290   9.116   0.456
  403    HA   GLU  50           HA       GLU  50  11.107   9.110  -1.853
  404   1HB   GLU  50           HB2      GLU  50  12.667  10.505  -0.621
  405   2HB   GLU  50           HB3      GLU  50  11.108  11.311  -0.752
  406   1HG   GLU  50           HG2      GLU  50  10.559  10.682   1.522
  407   2HG   GLU  50           HG3      GLU  50  12.090   9.820   1.669
  408    H    ILE  51           H        ILE  51  10.382   8.060   1.391
  409    HA   ILE  51           HA       ILE  51  12.793   6.599   1.823
  410    HB   ILE  51           HB       ILE  51  10.124   6.175   3.165
  411   1HG1  ILE  51          2HG1      ILE  51  10.834   8.561   3.187
  412   2HG1  ILE  51          3HG1      ILE  51  10.771   7.834   4.786
  413   1HG2  ILE  51          2HG2      ILE  51  12.955   5.577   4.002
  414   2HG2  ILE  51          1HG2      ILE  51  11.560   5.477   5.076
  415   3HG2  ILE  51          3HG2      ILE  51  11.666   4.420   3.668
  416   1HD1  ILE  51          2HD1      ILE  51  13.273   8.234   3.163
  417   2HD1  ILE  51          1HD1      ILE  51  12.728   9.275   4.480
  418   3HD1  ILE  51          3HD1      ILE  51  13.179   7.602   4.807
  419    H    LEU  52           H        LEU  52   9.542   5.199   1.818
  420    HA   LEU  52           HA       LEU  52  10.616   2.875   0.383
  421   1HB   LEU  52           HB2      LEU  52   8.436   3.292   2.350
  422   2HB   LEU  52           HB3      LEU  52   8.184   2.048   1.141
  423    HG   LEU  52           HG       LEU  52  10.628   2.142   2.893
  424   1HD1  LEU  52          1HD1      LEU  52   8.034   0.679   3.349
  425   2HD1  LEU  52          3HD1      LEU  52   9.527   0.402   4.249
  426   3HD1  LEU  52          2HD1      LEU  52   8.714   1.963   4.349
  427   1HD2  LEU  52          1HD2      LEU  52  10.701   0.840   0.768
  428   2HD2  LEU  52          3HD2      LEU  52  10.931  -0.131   2.222
  429   3HD2  LEU  52          2HD2      LEU  52   9.376  -0.146   1.388
  430    H    GLU  53           H        GLU  53  10.262   2.808  -1.743
  431    HA   GLU  53           HA       GLU  53   8.302   4.370  -3.067
  432   1HB   GLU  53           HB2      GLU  53  10.421   2.515  -3.798
  433   2HB   GLU  53           HB3      GLU  53   9.002   2.321  -4.817
  434   1HG   GLU  53           HG2      GLU  53   9.814   5.089  -4.367
  435   2HG   GLU  53           HG3      GLU  53  10.993   4.104  -5.229
  436    H    VAL  54           H        VAL  54   6.559   3.584  -1.586
  437    HA   VAL  54           HA       VAL  54   5.530   0.952  -1.903
  438    HB   VAL  54           HB       VAL  54   4.070   3.370  -0.855
  439   1HG1  VAL  54          3HG1      VAL  54   3.666   0.408  -0.476
  440   2HG1  VAL  54          2HG1      VAL  54   2.800   1.659   0.415
  441   3HG1  VAL  54          1HG1      VAL  54   2.602   1.524  -1.333
  442   1HG2  VAL  54          3HG2      VAL  54   6.024   1.517   0.465
  443   2HG2  VAL  54          2HG2      VAL  54   6.004   3.279   0.457
  444   3HG2  VAL  54          1HG2      VAL  54   4.805   2.389   1.391
  445    H    VAL  55           H        VAL  55   5.312   0.722  -4.169
  446    HA   VAL  55           HA       VAL  55   3.529   2.430  -5.627
  447    HB   VAL  55           HB       VAL  55   4.536  -0.302  -6.407
  448   1HG1  VAL  55          3HG1      VAL  55   2.576   0.565  -7.651
  449   2HG1  VAL  55          2HG1      VAL  55   3.533   1.971  -8.115
  450   3HG1  VAL  55          1HG1      VAL  55   4.006   0.364  -8.665
  451   1HG2  VAL  55          1HG2      VAL  55   6.410   1.187  -5.920
  452   2HG2  VAL  55          3HG2      VAL  55   6.292   0.878  -7.652
  453   3HG2  VAL  55          2HG2      VAL  55   5.727   2.411  -6.988
  454    H    CYS  56           H        CYS  56   1.680   2.350  -4.395
  455    HA   CYS  56           HA       CYS  56   0.351  -0.041  -3.655
  456   1HB   CYS  56           HB2      CYS  56  -0.095   1.946  -2.398
  457   2HB   CYS  56           HB3      CYS  56  -0.599   2.816  -3.840
  458    HG   CYS  56           HG       CYS  56  -2.333   0.664  -1.923
  459    H    LYS  57           H        LYS  57  -1.169  -1.206  -4.642
  460    HA   LYS  57           HA       LYS  57  -2.241  -0.267  -7.197
  461   1HB   LYS  57           HB2      LYS  57  -0.899  -2.891  -6.641
  462   2HB   LYS  57           HB3      LYS  57  -1.940  -2.637  -8.027
  463   1HG   LYS  57           HG2      LYS  57  -0.451  -0.862  -8.817
  464   2HG   LYS  57           HG3      LYS  57   0.597  -1.133  -7.422
  465   1HD   LYS  57           HD2      LYS  57   1.018  -3.419  -8.173
  466   2HD   LYS  57           HD3      LYS  57  -0.047  -3.165  -9.558
  467   1HE   LYS  57           HE2      LYS  57   2.501  -1.654  -8.988
  468   2HE   LYS  57           HE3      LYS  57   2.310  -2.940 -10.179
  469   1HZ   LYS  57           HZ2      LYS  57   0.887  -0.334 -10.210
  470   2HZ   LYS  57           HZ1      LYS  57   2.186  -0.760 -11.205
  471   3HZ   LYS  57           HZ3      LYS  57   0.707  -1.567 -11.353
  472    H    TYR  58           H        TYR  58  -3.659  -0.062  -4.971
  473    HA   TYR  58           HA       TYR  58  -5.202  -2.172  -4.073
  474   1HB   TYR  58           HB2      TYR  58  -5.252   0.132  -3.127
  475   2HB   TYR  58           HB3      TYR  58  -6.100   0.688  -4.561
  476    HD1  TYR  58           HD1      TYR  58  -7.950  -1.895  -4.624
  477    HD2  TYR  58           HD2      TYR  58  -6.924   0.962  -1.629
  478    HE1  TYR  58           HE1      TYR  58 -10.092  -2.310  -3.528
  479    HE2  TYR  58           HE2      TYR  58  -9.091   0.556  -0.528
  480    HH   TYR  58           HH       TYR  58 -11.320  -0.284  -1.083
  481    H    THR  59           H        THR  59  -6.371  -3.584  -5.215
  482    HA   THR  59           HA       THR  59  -7.412  -2.802  -7.838
  483    HB   THR  59           HB       THR  59  -7.308  -5.565  -6.608
  484    HG1  THR  59           HG1      THR  59  -5.204  -4.908  -6.928
  485   1HG2  THR  59          2HG2      THR  59  -8.970  -5.319  -8.391
  486   2HG2  THR  59          1HG2      THR  59  -7.728  -4.670  -9.461
  487   3HG2  THR  59          3HG2      THR  59  -7.628  -6.340  -8.903
  488    HA   PRO  60           HA       PRO  60 -11.468  -2.894  -5.828
  489   1HB   PRO  60           HB2      PRO  60 -12.232  -0.471  -6.585
  490   2HB   PRO  60           HB3      PRO  60 -10.942  -0.650  -5.391
  491   1HG   PRO  60           HG2      PRO  60 -10.780   0.199  -8.214
  492   2HG   PRO  60           HG3      PRO  60  -9.659   0.514  -6.879
  493   1HD   PRO  60           HD2      PRO  60  -9.559  -1.584  -8.896
  494   2HD   PRO  60           HD3      PRO  60  -8.328  -1.113  -7.706
  495    H    THR  61           H        THR  61 -10.666  -3.926  -8.590
  496    HA   THR  61           HA       THR  61 -13.137  -3.292 -10.053
  497    HB   THR  61           HB       THR  61 -11.245  -2.785 -11.408
  498    HG1  THR  61           HG1      THR  61 -11.536  -4.392 -13.108
  499   1HG2  THR  61          3HG2      THR  61 -10.256  -5.578 -10.825
  500   2HG2  THR  61          2HG2      THR  61  -9.512  -4.445 -11.951
  501   3HG2  THR  61          1HG2      THR  61  -9.546  -4.078 -10.227
  502    HA   PRO  62           HA       PRO  62 -14.748  -7.337  -9.376
  503   1HB   PRO  62           HB2      PRO  62 -15.813  -7.268 -12.125
  504   2HB   PRO  62           HB3      PRO  62 -16.677  -7.361 -10.588
  505   1HG   PRO  62           HG2      PRO  62 -16.696  -5.125 -12.061
  506   2HG   PRO  62           HG3      PRO  62 -16.659  -5.066 -10.288
  507   1HD   PRO  62           HD2      PRO  62 -14.416  -4.695 -12.244
  508   2HD   PRO  62           HD3      PRO  62 -14.782  -3.773 -10.772
  509    H    SER  63           H        SER  63 -14.288  -9.462  -9.771
  510    HA   SER  63           HA       SER  63 -12.001 -10.006 -11.437
  511   1HB   SER  63           HB2      SER  63 -12.364 -11.033  -9.166
  512   2HB   SER  63           HB3      SER  63 -13.680 -11.976  -9.865
  513    HG   SER  63           HG       SER  63 -11.067 -12.489  -9.909
  514    H    SER  64           H        SER  64 -12.518 -12.612 -12.294
  515    HA   SER  64           HA       SER  64 -13.610 -12.253 -14.799
  516   1HB   SER  64           HB2      SER  64 -13.493 -14.816 -13.190
  517   2HB   SER  64           HB3      SER  64 -13.743 -14.719 -14.933
  518    HG   SER  64           HG       SER  64 -11.638 -14.838 -14.960
  519    H    THR  65           H        THR  65 -15.208 -14.122 -12.208
  520    HA   THR  65           HA       THR  65 -17.790 -13.447 -13.426
  521    HB   THR  65           HB       THR  65 -18.695 -15.308 -12.043
  522    HG1  THR  65           HG1      THR  65 -15.939 -15.698 -11.422
  523   1HG2  THR  65          1HG2      THR  65 -16.385 -16.048 -13.844
  524   2HG2  THR  65          3HG2      THR  65 -17.700 -17.122 -13.366
  525   3HG2  THR  65          2HG2      THR  65 -18.036 -15.706 -14.363
  526    HA   PRO  66           HA       PRO  66 -18.903 -10.939  -9.955
  527   1HB   PRO  66           HB2      PRO  66 -21.575 -11.082 -10.007
  528   2HB   PRO  66           HB3      PRO  66 -20.677 -10.318 -11.328
  529   1HG   PRO  66           HG2      PRO  66 -21.753 -13.123 -11.152
  530   2HG   PRO  66           HG3      PRO  66 -21.947 -11.945 -12.469
  531   1HD   PRO  66           HD2      PRO  66 -20.082 -13.898 -12.539
  532   2HD   PRO  66           HD3      PRO  66 -19.796 -12.298 -13.253
  533    H    MET  67           H        MET  67 -18.697 -14.050  -9.699
  534    HA   MET  67           HA       MET  67 -20.452 -14.628  -7.492
  535   1HB   MET  67           HB2      MET  67 -18.120 -16.197  -8.610
  536   2HB   MET  67           HB3      MET  67 -19.258 -16.790  -7.406
  537   1HG   MET  67           HG2      MET  67 -21.077 -16.580  -9.018
  538   2HG   MET  67           HG3      MET  67 -19.942 -15.978 -10.223
  539   1HE   MET  67           HE3      MET  67 -21.046 -19.051  -8.052
  540   2HE   MET  67           HE2      MET  67 -19.840 -20.258  -8.499
  541   3HE   MET  67           HE1      MET  67 -19.362 -18.836  -7.572
  542    H    VAL  68           H        VAL  68 -17.605 -12.933  -7.776
  543    HA   VAL  68           HA       VAL  68 -17.039 -13.297  -4.914
  544    HB   VAL  68           HB       VAL  68 -14.823 -12.776  -6.878
  545   1HG1  VAL  68          1HG1      VAL  68 -14.876 -13.926  -4.088
  546   2HG1  VAL  68          3HG1      VAL  68 -13.432 -13.693  -5.073
  547   3HG1  VAL  68          2HG1      VAL  68 -14.368 -12.297  -4.537
  548   1HG2  VAL  68          2HG2      VAL  68 -15.860 -14.860  -7.585
  549   2HG2  VAL  68          1HG2      VAL  68 -14.291 -15.169  -6.843
  550   3HG2  VAL  68          3HG2      VAL  68 -15.771 -15.481  -5.937
  551    H    GLY  69           H        GLY  69 -18.588 -11.306  -6.386
  552   1HA   GLY  69           HA3      GLY  69 -17.918  -8.996  -5.039
  553   2HA   GLY  69           HA2      GLY  69 -18.868  -9.026  -6.516
  554    H    VAL  70           H        VAL  70 -16.257  -7.655  -5.146
  555    HA   VAL  70           HA       VAL  70 -15.166  -6.887  -7.723
  556    HB   VAL  70           HB       VAL  70 -14.411  -5.873  -4.985
  557   1HG1  VAL  70          2HG1      VAL  70 -12.710  -5.488  -6.716
  558   2HG1  VAL  70          1HG1      VAL  70 -13.923  -4.696  -7.720
  559   3HG1  VAL  70          3HG1      VAL  70 -13.451  -3.981  -6.181
  560   1HG2  VAL  70          2HG2      VAL  70 -16.363  -4.746  -6.988
  561   2HG2  VAL  70          1HG2      VAL  70 -16.763  -5.451  -5.422
  562   3HG2  VAL  70          3HG2      VAL  70 -15.843  -3.948  -5.504
  563    H    GLY  71           H        GLY  71 -12.972  -6.738  -5.136
  564   1HA   GLY  71           HA3      GLY  71 -10.818  -7.849  -6.242
  565   2HA   GLY  71           HA2      GLY  71 -11.689  -9.270  -5.689
  566    H    GLY  72           H        GLY  72 -10.585  -6.110  -4.545
  567   1HA   GLY  72           HA3      GLY  72 -10.677  -6.783  -1.798
  568   2HA   GLY  72           HA2      GLY  72  -9.821  -5.421  -2.499
  569    H    ILE  73           H        ILE  73  -8.077  -6.728  -4.172
  570    HA   ILE  73           HA       ILE  73  -6.631  -8.650  -2.582
  571    HB   ILE  73           HB       ILE  73  -6.803  -8.049  -5.372
  572   1HG1  ILE  73          2HG1      ILE  73  -7.136 -10.213  -4.240
  573   2HG1  ILE  73          3HG1      ILE  73  -5.981 -10.309  -5.569
  574   1HG2  ILE  73          1HG2      ILE  73  -4.698  -6.848  -5.081
  575   2HG2  ILE  73          3HG2      ILE  73  -3.990  -8.264  -4.303
  576   3HG2  ILE  73          2HG2      ILE  73  -4.460  -8.333  -6.002
  577   1HD1  ILE  73          2HD1      ILE  73  -5.237 -10.089  -2.655
  578   2HD1  ILE  73          1HD1      ILE  73  -5.269 -11.589  -3.586
  579   3HD1  ILE  73          3HD1      ILE  73  -4.130 -10.310  -4.012
  580    H    TYR  74           H        TYR  74  -6.523  -5.348  -3.273
  581    HA   TYR  74           HA       TYR  74  -4.965  -3.684  -2.943
  582   1HB   TYR  74           HB2      TYR  74  -4.427  -5.154  -0.371
  583   2HB   TYR  74           HB3      TYR  74  -4.442  -3.418  -0.653
  584    HD1  TYR  74           HD1      TYR  74  -6.554  -2.200  -0.800
  585    HD2  TYR  74           HD2      TYR  74  -6.485  -6.372   0.023
  586    HE1  TYR  74           HE1      TYR  74  -8.880  -2.087  -0.012
  587    HE2  TYR  74           HE2      TYR  74  -8.809  -6.264   0.801
  588    HH   TYR  74           HH       TYR  74 -10.373  -4.595   1.700
  589    H    VAL  75           H        VAL  75  -3.335  -4.119  -4.498
  590    HA   VAL  75           HA       VAL  75  -1.152  -5.890  -3.691
  591    HB   VAL  75           HB       VAL  75  -1.582  -4.386  -6.278
  592   1HG1  VAL  75          1HG1      VAL  75   0.541  -6.390  -5.528
  593   2HG1  VAL  75          3HG1      VAL  75   0.263  -5.763  -7.152
  594   3HG1  VAL  75          2HG1      VAL  75   0.786  -4.677  -5.867
  595   1HG2  VAL  75          1HG2      VAL  75  -1.980  -7.267  -5.530
  596   2HG2  VAL  75          3HG2      VAL  75  -3.190  -6.122  -6.107
  597   3HG2  VAL  75          2HG2      VAL  75  -1.922  -6.689  -7.193
  598    H    VAL  76           H        VAL  76  -0.022  -4.799  -2.115
  599    HA   VAL  76           HA       VAL  76   0.901  -2.085  -2.734
  600    HB   VAL  76           HB       VAL  76   1.183  -3.582  -0.128
  601   1HG1  VAL  76          3HG1      VAL  76   2.802  -1.784  -0.433
  602   2HG1  VAL  76          2HG1      VAL  76   1.495  -0.657  -0.801
  603   3HG1  VAL  76          1HG1      VAL  76   1.622  -1.365   0.811
  604   1HG2  VAL  76          1HG2      VAL  76  -1.177  -3.266  -0.689
  605   2HG2  VAL  76          3HG2      VAL  76  -0.701  -2.252   0.674
  606   3HG2  VAL  76          2HG2      VAL  76  -0.891  -1.543  -0.931
  607    H    LEU  77           H        LEU  77   2.740  -2.045  -3.868
  608    HA   LEU  77           HA       LEU  77   4.825  -4.029  -3.335
  609   1HB   LEU  77           HB2      LEU  77   4.521  -1.942  -5.491
  610   2HB   LEU  77           HB3      LEU  77   5.964  -2.920  -5.305
  611    HG   LEU  77           HG       LEU  77   3.182  -3.871  -6.014
  612   1HD1  LEU  77          1HD1      LEU  77   5.794  -3.935  -7.518
  613   2HD1  LEU  77          3HD1      LEU  77   4.267  -4.619  -8.075
  614   3HD1  LEU  77          2HD1      LEU  77   4.425  -2.876  -7.854
  615   1HD2  LEU  77          3HD2      LEU  77   5.523  -5.326  -4.950
  616   2HD2  LEU  77          2HD2      LEU  77   3.803  -5.695  -4.834
  617   3HD2  LEU  77          1HD2      LEU  77   4.682  -6.062  -6.317
  618    H    VAL  78           H        VAL  78   6.180  -3.530  -1.730
  619    HA   VAL  78           HA       VAL  78   6.801  -0.697  -1.278
  620    HB   VAL  78           HB       VAL  78   7.917  -2.467   0.706
  621   1HG1  VAL  78          1HG1      VAL  78   5.814  -0.292   0.816
  622   2HG1  VAL  78          3HG1      VAL  78   6.613  -1.010   2.218
  623   3HG1  VAL  78          2HG1      VAL  78   7.555  -0.086   1.048
  624   1HG2  VAL  78          2HG2      VAL  78   6.066  -3.942   0.027
  625   2HG2  VAL  78          1HG2      VAL  78   5.870  -3.330   1.669
  626   3HG2  VAL  78          3HG2      VAL  78   4.930  -2.634   0.349
  627    H    LYS  79           H        LYS  79   8.476  -0.102  -2.494
  628    HA   LYS  79           HA       LYS  79  10.814  -1.877  -2.648
  629   1HB   LYS  79           HB2      LYS  79   9.634   0.128  -4.501
  630   2HB   LYS  79           HB3      LYS  79  11.381  -0.078  -4.523
  631   1HG   LYS  79           HG2      LYS  79  11.064  -2.489  -4.921
  632   2HG   LYS  79           HG3      LYS  79   9.311  -2.222  -4.995
  633   1HD   LYS  79           HD2      LYS  79  11.337  -0.898  -6.803
  634   2HD   LYS  79           HD3      LYS  79  10.394  -2.328  -7.228
  635   1HE   LYS  79           HE2      LYS  79   8.327  -1.046  -6.930
  636   2HE   LYS  79           HE3      LYS  79   9.275   0.383  -6.522
  637   1HZ   LYS  79           HZ1      LYS  79   9.347  -1.052  -9.121
  638   2HZ   LYS  79           HZ3      LYS  79   8.566   0.419  -8.829
  639   3HZ   LYS  79           HZ2      LYS  79  10.252   0.322  -8.731
  640    HA   PRO  80           HA       PRO  80  12.449   1.067   0.424
  641   1HB   PRO  80           HB2      PRO  80  14.795  -0.701  -0.076
  642   2HB   PRO  80           HB3      PRO  80  14.103  -0.150   1.453
  643   1HG   PRO  80           HG2      PRO  80  13.697  -2.638   0.590
  644   2HG   PRO  80           HG3      PRO  80  12.419  -1.734   1.418
  645   1HD   PRO  80           HD2      PRO  80  12.723  -2.368  -1.478
  646   2HD   PRO  80           HD3      PRO  80  11.252  -2.221  -0.497
  647    H    ARG  81           H        ARG  81  12.579   2.893  -0.877
  648    HA   ARG  81           HA       ARG  81  14.288   3.220  -3.079
  649   1HB   ARG  81           HB2      ARG  81  12.450   4.806  -1.585
  650   2HB   ARG  81           HB3      ARG  81  13.938   5.724  -1.770
  651   1HG   ARG  81           HG2      ARG  81  13.825   5.514  -4.161
  652   2HG   ARG  81           HG3      ARG  81  12.434   4.434  -4.033
  653   1HD   ARG  81           HD2      ARG  81  11.113   6.227  -3.047
  654   2HD   ARG  81           HD3      ARG  81  12.503   7.311  -3.132
  655    HE   ARG  81           HE       ARG  81  11.719   6.181  -5.665
  656   1HH1  ARG  81          1HH1      ARG  81  11.277   8.805  -3.417
  657   2HH1  ARG  81          2HH1      ARG  81  10.685   9.903  -4.617
  658   1HH2  ARG  81          1HH2      ARG  81  10.941   7.621  -7.252
  659   2HH2  ARG  81          2HH2      ARG  81  10.493   9.230  -6.797
  660    H    LYS  82           H        LYS  82  14.755   3.733   0.364
  661    HA   LYS  82           HA       LYS  82  17.585   4.368  -0.156
  662   1HB   LYS  82           HB2      LYS  82  15.988   5.132   2.293
  663   2HB   LYS  82           HB3      LYS  82  17.615   5.655   1.883
  664   1HG   LYS  82           HG2      LYS  82  16.718   6.854  -0.067
  665   2HG   LYS  82           HG3      LYS  82  15.089   6.365   0.406
  666   1HD   LYS  82           HD2      LYS  82  15.373   7.542   2.544
  667   2HD   LYS  82           HD3      LYS  82  16.979   8.063   2.030
  668   1HE   LYS  82           HE2      LYS  82  14.382   8.737   0.650
  669   2HE   LYS  82           HE3      LYS  82  15.301   9.819   1.697
  670   1HZ   LYS  82           HZ3      LYS  82  16.268   8.667  -0.864
  671   2HZ   LYS  82           HZ2      LYS  82  15.736  10.256  -0.639
  672   3HZ   LYS  82           HZ1      LYS  82  17.139   9.718   0.137
  673    H    ARG  83           H        ARG  83  18.703   3.984   2.254
  674    HA   ARG  83           HA       ARG  83  17.968   1.264   3.085
  675   1HB   ARG  83           HB2      ARG  83  20.751   2.223   2.409
  676   2HB   ARG  83           HB3      ARG  83  20.391   0.691   3.194
  677   1HG   ARG  83           HG2      ARG  83  19.087   0.009   1.225
  678   2HG   ARG  83           HG3      ARG  83  19.516   1.529   0.437
  679   1HD   ARG  83           HD2      ARG  83  21.465  -0.574   1.371
  680   2HD   ARG  83           HD3      ARG  83  20.942  -0.331  -0.295
  681    HE   ARG  83           HE       ARG  83  21.985   2.077   0.720
  682   1HH1  ARG  83          1HH1      ARG  83  23.014  -1.099  -0.280
  683   2HH1  ARG  83          2HH1      ARG  83  24.597  -0.578  -0.752
  684   1HH2  ARG  83          1HH2      ARG  83  24.067   2.771   0.100
  685   2HH2  ARG  83          2HH2      ARG  83  25.196   1.622  -0.535
  686    H    GLY  84           H        GLY  84  17.773   1.069   5.206
  687   1HA   GLY  84           HA3      GLY  84  18.619   3.279   6.908
  688   2HA   GLY  84           HA2      GLY  84  19.329   1.711   7.262
  689    H    HIS  85           H        HIS  85  16.549   3.709   7.530
  690    HA   HIS  85           HA       HIS  85  15.108   1.529   8.889
  691   1HB   HIS  85           HB2      HIS  85  16.079   3.214  10.455
  692   2HB   HIS  85           HB3      HIS  85  15.075   4.437   9.688
  693    HD1  HIS  85           HD1      HIS  85  12.729   4.675  10.528
  694    HD2  HIS  85           HD2      HIS  85  14.546   1.179  11.847
  695    HE1  HIS  85           HE1      HIS  85  11.137   3.680  12.202
  696    HE2  HIS  85           HE2      HIS  85  12.216   1.519  12.916
  697    H    HIS  86           H        HIS  86  13.536   1.000   7.568
  698    HA   HIS  86           HA       HIS  86  11.807   3.131   6.494
  699   1HB   HIS  86           HB2      HIS  86  12.498   0.501   5.165
  700   2HB   HIS  86           HB3      HIS  86  11.371   1.697   4.539
  701    HD1  HIS  86           HD1      HIS  86  14.843   2.348   5.921
  702    HD2  HIS  86           HD2      HIS  86  12.723   2.594   2.358
  703    HE1  HIS  86           HE1      HIS  86  16.389   3.483   4.298
  704    HE2  HIS  86           HE2      HIS  86  15.049   3.705   2.176
  705    H    THR  87           H        THR  87   9.550   2.459   6.133
  706    HA   THR  87           HA       THR  87   8.630   0.037   7.388
  707    HB   THR  87           HB       THR  87   7.842   2.661   8.662
  708    HG1  THR  87           HG1      THR  87   9.879   2.198   9.401
  709   1HG2  THR  87          3HG2      THR  87   6.091   0.942   8.672
  710   2HG2  THR  87          2HG2      THR  87   7.218  -0.195   9.414
  711   3HG2  THR  87          1HG2      THR  87   6.709   1.247  10.295
  712    H    LEU  88           H        LEU  88   6.465  -0.436   6.970
  713    HA   LEU  88           HA       LEU  88   5.121   1.389   5.086
  714   1HB   LEU  88           HB2      LEU  88   5.909  -0.548   3.893
  715   2HB   LEU  88           HB3      LEU  88   5.222  -1.625   5.092
  716    HG   LEU  88           HG       LEU  88   2.949  -0.660   4.413
  717   1HD1  LEU  88          1HD1      LEU  88   3.790   1.289   3.217
  718   2HD1  LEU  88          3HD1      LEU  88   4.576   0.235   2.044
  719   3HD1  LEU  88          2HD1      LEU  88   2.818   0.260   2.164
  720   1HD2  LEU  88          2HD2      LEU  88   4.619  -2.372   2.600
  721   2HD2  LEU  88          1HD2      LEU  88   3.472  -2.888   3.833
  722   3HD2  LEU  88          3HD2      LEU  88   2.892  -2.117   2.356
  723    H    GLU  89           H        GLU  89   3.838   2.350   6.652
  724    HA   GLU  89           HA       GLU  89   2.318   0.823   8.518
  725   1HB   GLU  89           HB2      GLU  89   2.253   3.717   7.695
  726   2HB   GLU  89           HB3      GLU  89   1.188   3.044   8.922
  727   1HG   GLU  89           HG2      GLU  89   3.075   2.401  10.255
  728   2HG   GLU  89           HG3      GLU  89   4.189   2.983   9.022
  729    H    LEU  90           H        LEU  90   1.088  -0.639   7.274
  730    HA   LEU  90           HA       LEU  90  -0.972   0.562   5.568
  731   1HB   LEU  90           HB2      LEU  90  -0.079  -2.294   5.917
  732   2HB   LEU  90           HB3      LEU  90  -1.530  -1.863   5.042
  733    HG   LEU  90           HG       LEU  90   1.292  -1.076   4.321
  734   1HD1  LEU  90          3HD1      LEU  90  -0.689  -2.906   2.976
  735   2HD1  LEU  90          2HD1      LEU  90   0.899  -2.466   2.348
  736   3HD1  LEU  90          1HD1      LEU  90   0.767  -3.401   3.837
  737   1HD2  LEU  90          2HD2      LEU  90  -1.325  -0.385   2.991
  738   2HD2  LEU  90          1HD2      LEU  90  -0.203   0.738   3.760
  739   3HD2  LEU  90          3HD2      LEU  90   0.271  -0.113   2.288
  740    H    VAL  91           H        VAL  91  -2.928   0.908   6.329
  741    HA   VAL  91           HA       VAL  91  -3.812  -0.618   8.688
  742    HB   VAL  91           HB       VAL  91  -3.186   1.662   9.325
  743   1HG1  VAL  91          3HG1      VAL  91  -5.208   2.480   7.243
  744   2HG1  VAL  91          2HG1      VAL  91  -4.540   3.570   8.460
  745   3HG1  VAL  91          1HG1      VAL  91  -3.478   2.832   7.261
  746   1HG2  VAL  91          3HG2      VAL  91  -6.158   1.152   9.372
  747   2HG2  VAL  91          2HG2      VAL  91  -4.973   0.632  10.570
  748   3HG2  VAL  91          1HG2      VAL  91  -5.323   2.348  10.364
  749    H    TYR  92           H        TYR  92  -6.071  -0.914   8.915
  750    HA   TYR  92           HA       TYR  92  -7.512  -0.983   6.371
  751   1HB   TYR  92           HB2      TYR  92  -7.272  -3.021   7.895
  752   2HB   TYR  92           HB3      TYR  92  -8.376  -2.203   8.994
  753    HD1  TYR  92           HD1      TYR  92 -10.390  -3.329   8.951
  754    HD2  TYR  92           HD2      TYR  92  -8.397  -2.553   5.274
  755    HE1  TYR  92           HE1      TYR  92 -12.304  -4.262   7.723
  756    HE2  TYR  92           HE2      TYR  92 -10.306  -3.482   4.036
  757    HH   TYR  92           HH       TYR  92 -12.173  -5.037   4.424
  758    H    THR  93           H        THR  93  -7.947   1.290   6.314
  759    HA   THR  93           HA       THR  93  -9.941   2.196   8.292
  760    HB   THR  93           HB       THR  93  -7.891   3.436   8.560
  761    HG1  THR  93           HG1      THR  93  -9.998   4.556   8.578
  762   1HG2  THR  93          2HG2      THR  93  -7.989   3.442   5.619
  763   2HG2  THR  93          1HG2      THR  93  -7.502   4.975   6.351
  764   3HG2  THR  93          3HG2      THR  93  -6.602   3.500   6.710
  765    H    ARG  94           H        ARG  94 -11.624   3.543   7.591
  766    HA   ARG  94           HA       ARG  94 -12.390   3.177   4.810
  767   1HB   ARG  94           HB2      ARG  94 -13.816   4.197   7.256
  768   2HB   ARG  94           HB3      ARG  94 -14.502   4.401   5.652
  769   1HG   ARG  94           HG2      ARG  94 -14.525   1.999   5.326
  770   2HG   ARG  94           HG3      ARG  94 -13.773   1.765   6.904
  771   1HD   ARG  94           HD2      ARG  94 -16.155   1.375   7.061
  772   2HD   ARG  94           HD3      ARG  94 -15.718   2.820   7.972
  773    HE   ARG  94           HE       ARG  94 -16.434   3.751   5.506
  774   1HH1  ARG  94          1HH1      ARG  94 -17.973   1.803   7.951
  775   2HH1  ARG  94          2HH1      ARG  94 -19.571   2.336   7.550
  776   1HH2  ARG  94          1HH2      ARG  94 -18.533   4.456   4.972
  777   2HH2  ARG  94          2HH2      ARG  94 -19.891   3.843   5.857
  778    HA   PRO  95           HA       PRO  95 -10.369   7.193   4.019
  779   1HB   PRO  95           HB2      PRO  95 -11.211   7.138   1.351
  780   2HB   PRO  95           HB3      PRO  95  -9.658   6.566   1.962
  781   1HG   PRO  95           HG2      PRO  95 -12.120   5.022   1.313
  782   2HG   PRO  95           HG3      PRO  95 -10.422   4.567   1.104
  783   1HD   PRO  95           HD2      PRO  95 -11.900   3.562   3.088
  784   2HD   PRO  95           HD3      PRO  95 -10.187   3.959   3.316
  785    H    PHE  96           H        PHE  96 -13.624   6.193   3.105
  786    HA   PHE  96           HA       PHE  96 -14.648   8.722   2.473
  787   1HB   PHE  96           HB2      PHE  96 -16.023   6.234   3.491
  788   2HB   PHE  96           HB3      PHE  96 -16.837   7.622   2.798
  789    HD1  PHE  96           HD1      PHE  96 -14.500   4.874   2.065
  790    HD2  PHE  96           HD2      PHE  96 -17.008   7.917   0.464
  791    HE1  PHE  96           HE1      PHE  96 -14.227   3.911  -0.182
  792    HE2  PHE  96           HE2      PHE  96 -16.741   6.958  -1.787
  793    HZ   PHE  96           HZ       PHE  96 -15.349   4.952  -2.111
  794    H    GLU  97           H        GLU  97 -14.251   7.027   5.518
  795    HA   GLU  97           HA       GLU  97 -15.612   9.221   6.923
  796   1HB   GLU  97           HB2      GLU  97 -14.823   6.480   7.931
  797   2HB   GLU  97           HB3      GLU  97 -15.675   7.703   8.863
  798   1HG   GLU  97           HG2      GLU  97 -16.698   6.361   6.369
  799   2HG   GLU  97           HG3      GLU  97 -17.189   5.992   8.022
  800    H    GLY  98           H        GLY  98 -12.960   7.030   7.819
  801   1HA   GLY  98           HA3      GLY  98 -11.649   9.085   9.335
  802   2HA   GLY  98           HA2      GLY  98 -10.813   8.728   7.828
  803    H    ILE  99           H        ILE  99  -9.248   8.268   9.755
  804    HA   ILE  99           HA       ILE  99  -9.214   5.361  10.003
  805    HB   ILE  99           HB       ILE  99  -6.964   7.191  10.768
  806   1HG1  ILE  99          2HG1      ILE  99  -7.362   6.013   8.016
  807   2HG1  ILE  99          3HG1      ILE  99  -7.863   7.655   8.418
  808   1HG2  ILE  99          2HG2      ILE  99  -7.299   4.297  10.086
  809   2HG2  ILE  99          1HG2      ILE  99  -5.733   5.083   9.869
  810   3HG2  ILE  99          3HG2      ILE  99  -6.482   5.034  11.465
  811   1HD1  ILE  99          2HD1      ILE  99  -5.545   8.202   8.990
  812   2HD1  ILE  99          1HD1      ILE  99  -5.056   6.564   8.556
  813   3HD1  ILE  99          3HD1      ILE  99  -5.702   7.648   7.323
  814    H    LYS 100           H        LYS 100  -9.020   4.287  11.927
  815    HA   LYS 100           HA       LYS 100  -9.153   5.853  14.401
  816   1HB   LYS 100           HB2      LYS 100 -11.055   3.654  13.598
  817   2HB   LYS 100           HB3      LYS 100 -10.966   4.341  15.203
  818   1HG   LYS 100           HG2      LYS 100 -11.727   6.454  14.443
  819   2HG   LYS 100           HG3      LYS 100 -11.531   5.987  12.752
  820   1HD   LYS 100           HD2      LYS 100 -13.390   4.473  14.550
  821   2HD   LYS 100           HD3      LYS 100 -13.902   5.982  13.792
  822   1HE   LYS 100           HE2      LYS 100 -13.479   5.078  11.596
  823   2HE   LYS 100           HE3      LYS 100 -12.808   3.604  12.296
  824   1HZ   LYS 100           HZ3      LYS 100 -14.979   3.107  13.235
  825   2HZ   LYS 100           HZ2      LYS 100 -15.620   4.519  12.561
  826   3HZ   LYS 100           HZ1      LYS 100 -15.079   3.273  11.555
  827    HA   PRO 101           HA       PRO 101  -6.435   2.854  16.127
  828   1HB   PRO 101           HB2      PRO 101  -7.438   2.476  18.631
  829   2HB   PRO 101           HB3      PRO 101  -6.570   3.935  18.146
  830   1HG   PRO 101           HG2      PRO 101  -9.517   3.468  18.367
  831   2HG   PRO 101           HG3      PRO 101  -8.568   4.882  18.857
  832   1HD   PRO 101           HD2      PRO 101  -9.999   4.818  16.565
  833   2HD   PRO 101           HD3      PRO 101  -8.482   5.727  16.720
  834    H    GLU 102           H        GLU 102  -9.864   2.136  16.655
  835    HA   GLU 102           HA       GLU 102  -9.605  -0.588  17.225
  836   1HB   GLU 102           HB2      GLU 102 -11.990  -0.741  16.481
  837   2HB   GLU 102           HB3      GLU 102 -11.675   0.501  17.688
  838   1HG   GLU 102           HG2      GLU 102 -11.615   2.184  15.936
  839   2HG   GLU 102           HG3      GLU 102 -11.942   0.942  14.733
  840    H    ASN 103           H        ASN 103  -9.557   1.160  14.229
  841    HA   ASN 103           HA       ASN 103 -10.141  -0.831  12.390
  842   1HB   ASN 103           HB2      ASN 103  -8.225   1.497  12.230
  843   2HB   ASN 103           HB3      ASN 103  -8.593   0.468  10.851
  844   1HD2  ASN 103          1HD2      ASN 103 -11.065   1.093  13.176
  845   2HD2  ASN 103          2HD2      ASN 103 -11.987   2.188  12.213
  846    H    GLU 104           H        GLU 104  -8.898  -2.333  11.242
  847    HA   GLU 104           HA       GLU 104  -7.003  -3.770  12.674
  848   1HB   GLU 104           HB2      GLU 104  -8.190  -3.834  10.014
  849   2HB   GLU 104           HB3      GLU 104  -6.543  -4.435  10.046
  850   1HG   GLU 104           HG2      GLU 104  -7.891  -6.310  10.398
  851   2HG   GLU 104           HG3      GLU 104  -7.265  -5.888  11.988
  852    H    ARG 105           H        ARG 105  -4.766  -4.274  11.883
  853    HA   ARG 105           HA       ARG 105  -3.396  -1.873  10.869
  854   1HB   ARG 105           HB2      ARG 105  -3.195  -1.963  13.325
  855   2HB   ARG 105           HB3      ARG 105  -2.524  -3.578  13.211
  856   1HG   ARG 105           HG2      ARG 105  -0.608  -2.359  13.464
  857   2HG   ARG 105           HG3      ARG 105  -0.737  -2.390  11.702
  858   1HD   ARG 105           HD2      ARG 105  -0.258  -0.144  12.397
  859   2HD   ARG 105           HD3      ARG 105  -1.915  -0.214  11.791
  860    HE   ARG 105           HE       ARG 105  -1.987  -0.637  14.546
  861   1HH1  ARG 105          1HH1      ARG 105  -1.189   1.903  12.296
  862   2HH1  ARG 105          2HH1      ARG 105  -1.623   3.180  13.382
  863   1HH2  ARG 105          1HH2      ARG 105  -2.563   1.039  15.983
  864   2HH2  ARG 105          2HH2      ARG 105  -2.404   2.689  15.478
  865    H    TYR 106           H        TYR 106  -1.203  -2.313  10.090
  866    HA   TYR 106           HA       TYR 106  -0.127  -4.874   9.747
  867   1HB   TYR 106           HB2      TYR 106  -2.098  -5.066   8.190
  868   2HB   TYR 106           HB3      TYR 106  -1.360  -3.804   7.202
  869    HD1  TYR 106           HD1      TYR 106  -1.217  -7.282   8.268
  870    HD2  TYR 106           HD2      TYR 106   0.683  -4.288   5.924
  871    HE1  TYR 106           HE1      TYR 106   0.078  -9.015   7.120
  872    HE2  TYR 106           HE2      TYR 106   1.990  -6.016   4.767
  873    HH   TYR 106           HH       TYR 106   1.267  -9.324   4.986
  874    H    THR 107           H        THR 107   1.301  -3.144  10.676
  875    HA   THR 107           HA       THR 107   2.510  -1.372   8.714
  876    HB   THR 107           HB       THR 107   3.301  -1.743  11.606
  877    HG1  THR 107           HG1      THR 107   1.247  -0.231  10.398
  878   1HG2  THR 107          1HG2      THR 107   4.953  -0.601  10.210
  879   2HG2  THR 107          3HG2      THR 107   3.718   0.537   9.672
  880   3HG2  THR 107          2HG2      THR 107   4.218   0.513  11.363
  881    H    LEU 108           H        LEU 108   3.701  -2.592   7.318
  882    HA   LEU 108           HA       LEU 108   5.419  -4.706   8.221
  883   1HB   LEU 108           HB2      LEU 108   4.367  -4.843   6.041
  884   2HB   LEU 108           HB3      LEU 108   5.145  -3.360   5.535
  885    HG   LEU 108           HG       LEU 108   7.315  -4.427   5.543
  886   1HD1  LEU 108          3HD1      LEU 108   5.881  -6.881   6.544
  887   2HD1  LEU 108          2HD1      LEU 108   7.575  -6.805   6.055
  888   3HD1  LEU 108          1HD1      LEU 108   7.020  -5.893   7.459
  889   1HD2  LEU 108          2HD2      LEU 108   5.961  -4.659   3.532
  890   2HD2  LEU 108          1HD2      LEU 108   6.986  -6.072   3.779
  891   3HD2  LEU 108          3HD2      LEU 108   5.268  -6.152   4.164
  892    H    HIS 109           H        HIS 109   6.938  -3.877   9.608
  893    HA   HIS 109           HA       HIS 109   8.522  -1.580   8.922
  894   1HB   HIS 109           HB2      HIS 109   8.467  -3.515  11.181
  895   2HB   HIS 109           HB3      HIS 109   9.898  -2.523  10.944
  896    HD1  HIS 109           HD1      HIS 109   9.797  -0.166  11.789
  897    HD2  HIS 109           HD2      HIS 109   6.067  -1.994  11.694
  898    HE1  HIS 109           HE1      HIS 109   8.240   1.426  12.957
  899    HE2  HIS 109           HE2      HIS 109   5.972   0.335  12.818
  900    H    LEU 110           H        LEU 110  10.656  -1.532   8.306
  901    HA   LEU 110           HA       LEU 110  11.989  -4.028   7.621
  902   1HB   LEU 110           HB2      LEU 110  11.474  -1.842   5.604
  903   2HB   LEU 110           HB3      LEU 110  12.472  -3.257   5.333
  904    HG   LEU 110           HG       LEU 110   9.503  -3.333   5.893
  905   1HD1  LEU 110          1HD1      LEU 110  11.004  -3.605   3.292
  906   2HD1  LEU 110          3HD1      LEU 110   9.276  -3.878   3.514
  907   3HD1  LEU 110          2HD1      LEU 110   9.953  -2.267   3.754
  908   1HD2  LEU 110          3HD2      LEU 110  10.805  -5.344   6.563
  909   2HD2  LEU 110          2HD2      LEU 110   9.621  -5.648   5.293
  910   3HD2  LEU 110          1HD2      LEU 110  11.331  -5.505   4.888
  911    H    ASN 111           H        ASN 111  13.773  -3.726   8.842
  912    HA   ASN 111           HA       ASN 111  15.104  -1.176   9.004
  913   1HB   ASN 111           HB2      ASN 111  15.047  -2.763  10.924
  914   2HB   ASN 111           HB3      ASN 111  16.014  -3.896   9.985
  915   1HD2  ASN 111          1HD2      ASN 111  17.700  -3.881  11.438
  916   2HD2  ASN 111          2HD2      ASN 111  18.756  -2.527  11.627
  917    H    VAL 112           H        VAL 112  15.090  -1.371   6.515
  918    HA   VAL 112           HA       VAL 112  16.593  -3.004   4.966
  919    HB   VAL 112           HB       VAL 112  16.828  -0.054   4.500
  920   1HG1  VAL 112          1HG1      VAL 112  17.822  -1.604   2.901
  921   2HG1  VAL 112          3HG1      VAL 112  16.259  -2.394   2.693
  922   3HG1  VAL 112          2HG1      VAL 112  16.475  -0.721   2.181
  923   1HG2  VAL 112          2HG2      VAL 112  14.304  -1.680   4.392
  924   2HG2  VAL 112          1HG2      VAL 112  14.585  -0.143   5.208
  925   3HG2  VAL 112          3HG2      VAL 112  14.523  -0.207   3.446
  926    H    LYS 113           H        LYS 113  18.697  -3.474   4.679
  927    HA   LYS 113           HA       LYS 113  20.651  -2.411   6.469
  928   1HB   LYS 113           HB2      LYS 113  20.899  -4.284   4.113
  929   2HB   LYS 113           HB3      LYS 113  22.220  -3.888   5.203
  930   1HG   LYS 113           HG2      LYS 113  19.633  -5.162   6.062
  931   2HG   LYS 113           HG3      LYS 113  21.114  -6.048   5.698
  932   1HD   LYS 113           HD2      LYS 113  22.277  -4.805   7.470
  933   2HD   LYS 113           HD3      LYS 113  20.778  -3.953   7.844
  934   1HE   LYS 113           HE2      LYS 113  21.227  -6.928   8.048
  935   2HE   LYS 113           HE3      LYS 113  21.158  -5.795   9.397
  936   1HZ   LYS 113           HZ1      LYS 113  18.934  -6.376   7.518
  937   2HZ   LYS 113           HZ3      LYS 113  19.060  -6.950   9.104
  938   3HZ   LYS 113           HZ2      LYS 113  18.869  -5.295   8.816

  No H/Q in entry =         938
  Start of MODEL   18
    1    H1   GLY  -2           HT3      GLY  -2 -12.591 -22.562  -1.505
    2    H2   GLY  -2           HT2      GLY  -2 -13.131 -21.160  -0.728
    3    H3   GLY  -2           HT1      GLY  -2 -13.543 -21.442  -2.343
    4   1HA   GLY  -2           HA2      GLY  -2 -11.798 -19.788  -2.206
    5   2HA   GLY  -2           HA3      GLY  -2 -11.241 -21.244  -3.015
    6    H    SER  -1           H        SER  -1  -9.886 -19.061  -1.401
    7    HA   SER  -1           HA       SER  -1  -8.150 -20.860   0.077
    8   1HB   SER  -1           HB2      SER  -1  -7.127 -19.203  -1.408
    9   2HB   SER  -1           HB3      SER  -1  -7.895 -17.898  -0.504
   10    HG   SER  -1           HG       SER  -1  -5.580 -19.103  -0.008
   11    H    HIS   0           H        HIS   0  -7.938 -20.947   2.245
   12    HA   HIS   0           HA       HIS   0  -9.132 -18.884   3.917
   13   1HB   HIS   0           HB2      HIS   0 -10.405 -20.541   5.248
   14   2HB   HIS   0           HB3      HIS   0 -10.990 -20.418   3.592
   15    HD1  HIS   0           HD1      HIS   0 -10.822 -22.489   2.121
   16    HD2  HIS   0           HD2      HIS   0  -9.082 -22.977   5.862
   17    HE1  HIS   0           HE1      HIS   0 -10.350 -24.949   2.326
   18    HE2  HIS   0           HE2      HIS   0  -9.220 -25.209   4.563
   19    H    MET   1           H        MET   1  -8.696 -19.365   6.287
   20    HA   MET   1           HA       MET   1  -6.189 -20.864   6.623
   21   1HB   MET   1           HB2      MET   1  -6.771 -18.119   7.752
   22   2HB   MET   1           HB3      MET   1  -5.335 -19.077   8.084
   23   1HG   MET   1           HG2      MET   1  -6.155 -17.996   5.398
   24   2HG   MET   1           HG3      MET   1  -4.891 -17.343   6.440
   25   1HE   MET   1           HE2      MET   1  -3.170 -17.447   4.415
   26   2HE   MET   1           HE1      MET   1  -2.863 -18.903   3.468
   27   3HE   MET   1           HE3      MET   1  -4.432 -18.103   3.372
   28    H    ILE   2           H        ILE   2  -5.723 -20.592   9.243
   29    HA   ILE   2           HA       ILE   2  -8.213 -21.399  10.592
   30    HB   ILE   2           HB       ILE   2  -6.944 -23.419  10.043
   31   1HG1  ILE   2          2HG1      ILE   2  -6.780 -22.774  12.997
   32   2HG1  ILE   2          3HG1      ILE   2  -8.245 -23.280  12.161
   33   1HG2  ILE   2          1HG2      ILE   2  -4.719 -22.439   9.927
   34   2HG2  ILE   2          3HG2      ILE   2  -4.729 -22.178  11.671
   35   3HG2  ILE   2          2HG2      ILE   2  -4.738 -23.819  11.025
   36   1HD1  ILE   2          2HD1      ILE   2  -7.192 -25.413  11.613
   37   2HD1  ILE   2          1HD1      ILE   2  -5.733 -24.907  12.467
   38   3HD1  ILE   2          3HD1      ILE   2  -7.241 -25.131  13.354
   39    H    ALA   3           H        ALA   3  -5.116 -19.836  10.725
   40    HA   ALA   3           HA       ALA   3  -4.916 -19.449  13.502
   41   1HB   ALA   3           HB3      ALA   3  -3.303 -17.708  12.984
   42   2HB   ALA   3           HB1      ALA   3  -3.830 -17.697  11.301
   43   3HB   ALA   3           HB2      ALA   3  -3.037 -19.124  11.967
   44    HA   PRO   4           HA       PRO   4  -7.037 -15.087  12.586
   45   1HB   PRO   4           HB2      PRO   4  -8.854 -16.003  10.417
   46   2HB   PRO   4           HB3      PRO   4  -8.033 -14.453  10.619
   47   1HG   PRO   4           HG2      PRO   4  -7.178 -16.217   8.818
   48   2HG   PRO   4           HG3      PRO   4  -6.028 -15.254   9.767
   49   1HD   PRO   4           HD2      PRO   4  -6.830 -18.117  10.092
   50   2HD   PRO   4           HD3      PRO   4  -5.234 -17.364  10.280
   51    H    LEU   5           H        LEU   5  -8.063 -15.359  14.502
   52    HA   LEU   5           HA       LEU   5 -10.752 -16.510  14.412
   53   1HB   LEU   5           HB2      LEU   5  -8.663 -17.197  16.482
   54   2HB   LEU   5           HB3      LEU   5 -10.363 -17.605  16.616
   55    HG   LEU   5           HG       LEU   5  -8.523 -18.598  14.434
   56   1HD1  LEU   5          2HD1      LEU   5  -7.897 -19.510  16.604
   57   2HD1  LEU   5          1HD1      LEU   5  -9.567 -20.001  16.891
   58   3HD1  LEU   5          3HD1      LEU   5  -8.639 -20.749  15.590
   59   1HD2  LEU   5          3HD2      LEU   5 -10.855 -18.457  13.737
   60   2HD2  LEU   5          2HD2      LEU   5 -10.352 -20.138  13.926
   61   3HD2  LEU   5          1HD2      LEU   5 -11.346 -19.371  15.165
   62    H    SER   6           H        SER   6  -8.369 -14.736  16.355
   63    HA   SER   6           HA       SER   6 -10.474 -12.841  17.098
   64   1HB   SER   6           HB2      SER   6 -10.315 -14.399  18.983
   65   2HB   SER   6           HB3      SER   6  -8.575 -14.128  19.076
   66    HG   SER   6           HG       SER   6 -10.619 -12.207  19.509
   67    H    VAL   7           H        VAL   7  -7.269 -13.541  16.217
   68    HA   VAL   7           HA       VAL   7  -6.567 -10.690  16.442
   69    HB   VAL   7           HB       VAL   7  -4.236 -11.291  16.871
   70   1HG1  VAL   7          2HG1      VAL   7  -5.701 -10.880  18.774
   71   2HG1  VAL   7          1HG1      VAL   7  -6.147 -12.585  18.812
   72   3HG1  VAL   7          3HG1      VAL   7  -4.489 -12.100  19.167
   73   1HG2  VAL   7          2HG2      VAL   7  -5.243 -14.133  16.964
   74   2HG2  VAL   7          1HG2      VAL   7  -4.165 -13.443  15.750
   75   3HG2  VAL   7          3HG2      VAL   7  -3.622 -13.606  17.420
   76    H    LYS   8           H        LYS   8  -4.228 -10.619  15.096
   77    HA   LYS   8           HA       LYS   8  -4.221 -12.110  12.683
   78   1HB   LYS   8           HB2      LYS   8  -6.153 -10.650  12.213
   79   2HB   LYS   8           HB3      LYS   8  -5.143  -9.237  12.484
   80   1HG   LYS   8           HG2      LYS   8  -5.383  -9.593  10.128
   81   2HG   LYS   8           HG3      LYS   8  -3.717  -9.941  10.594
   82   1HD   LYS   8           HD2      LYS   8  -4.218 -12.334  10.610
   83   2HD   LYS   8           HD3      LYS   8  -5.887 -11.991  10.153
   84   1HE   LYS   8           HE2      LYS   8  -3.433 -11.349   8.522
   85   2HE   LYS   8           HE3      LYS   8  -4.561 -12.670   8.219
   86   1HZ   LYS   8           HZ2      LYS   8  -6.310 -11.041   7.853
   87   2HZ   LYS   8           HZ1      LYS   8  -5.226  -9.775   8.141
   88   3HZ   LYS   8           HZ3      LYS   8  -5.018 -10.779   6.794
   89    H    ASP   9           H        ASP   9  -2.242 -12.072  11.862
   90    HA   ASP   9           HA       ASP   9  -0.186 -10.600  13.161
   91   1HB   ASP   9           HB2      ASP   9   0.169 -12.850  12.177
   92   2HB   ASP   9           HB3      ASP   9  -0.043 -12.158  10.571
   93    H    ASN  10           H        ASN  10   0.452  -8.584  12.772
   94    HA   ASN  10           HA       ASN  10  -0.014  -7.456  10.108
   95   1HB   ASN  10           HB2      ASN  10  -0.287  -5.249  11.477
   96   2HB   ASN  10           HB3      ASN  10  -1.648  -6.340  11.288
   97   1HD2  ASN  10          1HD2      ASN  10  -0.826  -4.316  13.326
   98   2HD2  ASN  10          2HD2      ASN  10  -0.954  -5.153  14.827
   99    H    ASP  11           H        ASP  11   1.281  -5.682  12.766
  100    HA   ASP  11           HA       ASP  11   3.404  -4.556  11.537
  101   1HB   ASP  11           HB2      ASP  11   3.435  -5.404  14.430
  102   2HB   ASP  11           HB3      ASP  11   4.284  -4.045  13.703
  103    H    LYS  12           H        LYS  12   4.746  -5.673  10.293
  104    HA   LYS  12           HA       LYS  12   6.075  -8.056  11.337
  105   1HB   LYS  12           HB2      LYS  12   5.122  -8.341   9.157
  106   2HB   LYS  12           HB3      LYS  12   5.863  -6.859   8.574
  107   1HG   LYS  12           HG2      LYS  12   7.072  -8.695   7.677
  108   2HG   LYS  12           HG3      LYS  12   8.077  -7.911   8.897
  109   1HD   LYS  12           HD2      LYS  12   7.646  -9.629  10.482
  110   2HD   LYS  12           HD3      LYS  12   6.372 -10.323   9.476
  111   1HE   LYS  12           HE2      LYS  12   9.271 -10.173   8.679
  112   2HE   LYS  12           HE3      LYS  12   8.522 -11.584   9.424
  113   1HZ   LYS  12           HZ2      LYS  12   7.004 -11.719   7.548
  114   2HZ   LYS  12           HZ1      LYS  12   7.726 -10.366   6.834
  115   3HZ   LYS  12           HZ3      LYS  12   8.609 -11.797   7.023
  116    H    TRP  13           H        TRP  13   7.550  -7.141  12.758
  117    HA   TRP  13           HA       TRP  13   9.321  -5.031  11.945
  118   1HB   TRP  13           HB2      TRP  13   9.647  -6.685  14.424
  119   2HB   TRP  13           HB3      TRP  13  10.015  -4.988  14.164
  120    HD1  TRP  13           HD1      TRP  13   6.972  -7.303  14.645
  121    HE1  TRP  13           HE1      TRP  13   5.017  -5.908  15.562
  122    HE3  TRP  13           HE3      TRP  13   9.133  -2.669  14.493
  123    HZ2  TRP  13           HZ2      TRP  13   4.442  -3.200  16.130
  124    HZ3  TRP  13           HZ3      TRP  13   7.817  -0.732  15.251
  125    HH2  TRP  13           HH2      TRP  13   5.528  -0.994  16.058
  126    H    VAL  14           H        VAL  14  10.764  -5.608  10.380
  127    HA   VAL  14           HA       VAL  14  12.793  -7.564  11.153
  128    HB   VAL  14           HB       VAL  14  12.676  -8.705   8.915
  129   1HG1  VAL  14          1HG1      VAL  14  11.857  -9.676  11.070
  130   2HG1  VAL  14          3HG1      VAL  14  10.238  -9.139  10.626
  131   3HG1  VAL  14          2HG1      VAL  14  11.082 -10.322   9.625
  132   1HG2  VAL  14          1HG2      VAL  14  11.279  -7.025   7.797
  133   2HG2  VAL  14          3HG2      VAL  14  10.585  -8.643   7.688
  134   3HG2  VAL  14          2HG2      VAL  14   9.924  -7.476   8.834
  135    H    ASP  15           H        ASP  15  14.260  -7.870   9.053
  136    HA   ASP  15           HA       ASP  15  15.204  -5.182   8.401
  137   1HB   ASP  15           HB2      ASP  15  16.412  -7.880   8.655
  138   2HB   ASP  15           HB3      ASP  15  17.148  -6.789   7.480
  139    H    THR  16           H        THR  16  16.545  -5.463   6.082
  140    HA   THR  16           HA       THR  16  15.252  -6.952   4.065
  141    HB   THR  16           HB       THR  16  13.472  -5.200   4.734
  142    HG1  THR  16           HG1      THR  16  12.698  -5.657   2.810
  143   1HG2  THR  16          1HG2      THR  16  14.976  -3.263   4.749
  144   2HG2  THR  16          3HG2      THR  16  15.262  -3.479   3.023
  145   3HG2  THR  16          2HG2      THR  16  13.653  -3.053   3.602
  146    H    HIS  17           H        HIS  17  15.561  -5.652   1.825
  147    HA   HIS  17           HA       HIS  17  18.353  -4.711   1.812
  148   1HB   HIS  17           HB2      HIS  17  16.790  -6.429  -0.090
  149   2HB   HIS  17           HB3      HIS  17  18.165  -5.500  -0.678
  150    HD1  HIS  17           HD1      HIS  17  17.267  -8.451   1.414
  151    HD2  HIS  17           HD2      HIS  17  20.678  -6.400   0.224
  152    HE1  HIS  17           HE1      HIS  17  19.196  -9.948   2.018
  153    HE2  HIS  17           HE2      HIS  17  21.254  -8.649   1.364
  154    H    VAL  18           H        VAL  18  18.309  -3.805  -0.899
  155    HA   VAL  18           HA       VAL  18  16.673  -1.394  -0.528
  156    HB   VAL  18           HB       VAL  18  18.961  -1.771  -2.459
  157   1HG1  VAL  18          1HG1      VAL  18  17.483   0.684  -1.512
  158   2HG1  VAL  18          3HG1      VAL  18  18.926   0.699  -2.526
  159   3HG1  VAL  18          2HG1      VAL  18  17.433  -0.020  -3.128
  160   1HG2  VAL  18          1HG2      VAL  18  18.950  -0.505   0.278
  161   2HG2  VAL  18          3HG2      VAL  18  19.767  -1.999  -0.178
  162   3HG2  VAL  18          2HG2      VAL  18  20.293  -0.462  -0.863
  163    H    GLY  19           H        GLY  19  15.071  -0.868  -1.834
  164   1HA   GLY  19           HA3      GLY  19  14.814  -1.436  -4.553
  165   2HA   GLY  19           HA2      GLY  19  13.497  -1.002  -3.481
  166    H    LYS  20           H        LYS  20  14.421  -3.582  -1.927
  167    HA   LYS  20           HA       LYS  20  13.799  -5.756  -3.601
  168   1HB   LYS  20           HB2      LYS  20  14.695  -5.501  -1.036
  169   2HB   LYS  20           HB3      LYS  20  13.049  -6.036  -0.767
  170   1HG   LYS  20           HG2      LYS  20  14.241  -8.011  -0.836
  171   2HG   LYS  20           HG3      LYS  20  13.592  -7.878  -2.475
  172   1HD   LYS  20           HD2      LYS  20  15.653  -7.153  -3.342
  173   2HD   LYS  20           HD3      LYS  20  16.280  -6.804  -1.735
  174   1HE   LYS  20           HE2      LYS  20  15.677  -9.536  -2.867
  175   2HE   LYS  20           HE3      LYS  20  17.281  -8.840  -2.635
  176   1HZ   LYS  20           HZ2      LYS  20  16.865  -8.783  -0.251
  177   2HZ   LYS  20           HZ1      LYS  20  15.334  -9.463  -0.480
  178   3HZ   LYS  20           HZ3      LYS  20  16.723 -10.358  -0.850
  179    H    THR  21           H        THR  21  12.007  -5.060  -4.797
  180    HA   THR  21           HA       THR  21   9.620  -4.048  -3.968
  181    HB   THR  21           HB       THR  21   9.762  -6.215  -6.058
  182    HG1  THR  21           HG1      THR  21  11.444  -4.626  -6.362
  183   1HG2  THR  21          2HG2      THR  21   8.064  -3.731  -5.777
  184   2HG2  THR  21          1HG2      THR  21   8.006  -4.864  -7.127
  185   3HG2  THR  21          3HG2      THR  21   7.530  -5.391  -5.512
  186    H    THR  22           H        THR  22   8.741  -4.743  -2.093
  187    HA   THR  22           HA       THR  22   8.215  -7.587  -1.714
  188    HB   THR  22           HB       THR  22   7.790  -5.228   0.134
  189    HG1  THR  22           HG1      THR  22   9.954  -6.597  -0.452
  190   1HG2  THR  22          1HG2      THR  22   6.133  -6.997   0.554
  191   2HG2  THR  22          3HG2      THR  22   7.438  -8.174   0.702
  192   3HG2  THR  22          2HG2      THR  22   7.294  -6.863   1.875
  193    H    GLU  23           H        GLU  23   6.582  -8.146  -3.011
  194    HA   GLU  23           HA       GLU  23   4.227  -6.554  -3.331
  195   1HB   GLU  23           HB2      GLU  23   5.164  -7.938  -5.140
  196   2HB   GLU  23           HB3      GLU  23   4.847  -9.382  -4.190
  197   1HG   GLU  23           HG2      GLU  23   2.503  -9.084  -4.353
  198   2HG   GLU  23           HG3      GLU  23   2.705  -7.465  -5.021
  199    H    ILE  24           H        ILE  24   2.339  -6.740  -2.309
  200    HA   ILE  24           HA       ILE  24   1.900  -9.064  -0.572
  201    HB   ILE  24           HB       ILE  24   1.327  -6.228   0.248
  202   1HG1  ILE  24          2HG1      ILE  24   3.547  -8.075   1.145
  203   2HG1  ILE  24          3HG1      ILE  24   3.747  -6.639   0.148
  204   1HG2  ILE  24          2HG2      ILE  24  -0.174  -7.918   1.194
  205   2HG2  ILE  24          1HG2      ILE  24   1.220  -8.804   1.812
  206   3HG2  ILE  24          3HG2      ILE  24   0.854  -7.195   2.432
  207   1HD1  ILE  24          1HD1      ILE  24   2.883  -5.277   2.024
  208   2HD1  ILE  24          3HD1      ILE  24   2.860  -6.736   3.017
  209   3HD1  ILE  24          2HD1      ILE  24   4.387  -6.121   2.384
  210    H    HIS  25           H        HIS  25   0.209  -9.999  -1.543
  211    HA   HIS  25           HA       HIS  25  -1.976  -8.407  -2.593
  212   1HB   HIS  25           HB2      HIS  25  -1.921 -11.409  -2.405
  213   2HB   HIS  25           HB3      HIS  25  -2.801 -10.401  -3.540
  214    HD1  HIS  25           HD1      HIS  25  -0.095 -12.601  -3.548
  215    HD2  HIS  25           HD2      HIS  25  -0.691  -8.813  -5.147
  216    HE1  HIS  25           HE1      HIS  25   1.601 -12.375  -5.389
  217    HE2  HIS  25           HE2      HIS  25   1.126 -10.131  -6.430
  218    H    LEU  26           H        LEU  26  -2.917  -7.502  -0.778
  219    HA   LEU  26           HA       LEU  26  -3.754  -9.221   1.416
  220   1HB   LEU  26           HB2      LEU  26  -4.233  -6.279   0.997
  221   2HB   LEU  26           HB3      LEU  26  -4.518  -7.167   2.476
  222    HG   LEU  26           HG       LEU  26  -1.764  -6.980   1.286
  223   1HD1  LEU  26          2HD1      LEU  26  -2.574  -4.696   1.543
  224   2HD1  LEU  26          1HD1      LEU  26  -3.043  -5.040   3.208
  225   3HD1  LEU  26          3HD1      LEU  26  -1.341  -5.068   2.746
  226   1HD2  LEU  26          3HD2      LEU  26  -2.291  -8.651   3.072
  227   2HD2  LEU  26          2HD2      LEU  26  -1.038  -7.486   3.504
  228   3HD2  LEU  26          1HD2      LEU  26  -2.672  -7.302   4.142
  229    H    LYS  27           H        LYS  27  -5.884  -9.638   1.948
  230    HA   LYS  27           HA       LYS  27  -7.781  -9.218  -0.247
  231   1HB   LYS  27           HB2      LYS  27  -7.997 -11.140   2.067
  232   2HB   LYS  27           HB3      LYS  27  -9.052 -11.066   0.666
  233   1HG   LYS  27           HG2      LYS  27  -7.406 -11.896  -0.770
  234   2HG   LYS  27           HG3      LYS  27  -6.112 -11.588   0.387
  235   1HD   LYS  27           HD2      LYS  27  -7.055 -13.315   1.868
  236   2HD   LYS  27           HD3      LYS  27  -8.314 -13.635   0.673
  237   1HE   LYS  27           HE2      LYS  27  -6.522 -15.275   0.506
  238   2HE   LYS  27           HE3      LYS  27  -6.610 -14.288  -0.952
  239   1HZ   LYS  27           HZ1      LYS  27  -4.682 -13.906   1.275
  240   2HZ   LYS  27           HZ3      LYS  27  -4.328 -14.598  -0.228
  241   3HZ   LYS  27           HZ2      LYS  27  -4.764 -12.967  -0.130
  242    H    GLY  28           H        GLY  28 -10.087  -8.951   0.438
  243   1HA   GLY  28           HA3      GLY  28 -10.290  -6.592   2.006
  244   2HA   GLY  28           HA2      GLY  28 -10.881  -7.976   2.909
  245    H    ASN  29           H        ASN  29 -12.059  -5.482   1.462
  246    HA   ASN  29           HA       ASN  29 -13.779  -6.395  -0.567
  247   1HB   ASN  29           HB2      ASN  29 -14.623  -7.670   1.508
  248   2HB   ASN  29           HB3      ASN  29 -15.225  -6.111   2.059
  249   1HD2  ASN  29          1HD2      ASN  29 -17.358  -6.718   1.961
  250   2HD2  ASN  29          2HD2      ASN  29 -18.192  -6.968   0.469
  251    HA   PRO  30           HA       PRO  30 -13.297  -1.817  -0.232
  252   1HB   PRO  30           HB2      PRO  30 -14.051  -1.499  -2.892
  253   2HB   PRO  30           HB3      PRO  30 -12.394  -1.634  -2.302
  254   1HG   PRO  30           HG2      PRO  30 -14.160  -3.720  -3.494
  255   2HG   PRO  30           HG3      PRO  30 -12.416  -3.472  -3.698
  256   1HD   PRO  30           HD2      PRO  30 -13.371  -5.409  -2.118
  257   2HD   PRO  30           HD3      PRO  30 -11.910  -4.501  -1.679
  258    H    THR  31           H        THR  31 -15.982  -3.798  -1.274
  259    HA   THR  31           HA       THR  31 -17.825  -1.602  -1.472
  260    HB   THR  31           HB       THR  31 -18.161  -3.628  -2.813
  261    HG1  THR  31           HG1      THR  31 -20.431  -3.852  -1.353
  262   1HG2  THR  31          3HG2      THR  31 -18.746  -4.941  -0.162
  263   2HG2  THR  31          2HG2      THR  31 -18.997  -5.671  -1.747
  264   3HG2  THR  31          1HG2      THR  31 -17.366  -5.276  -1.206
  265    H    THR  32           H        THR  32 -16.324  -2.454   1.138
  266    HA   THR  32           HA       THR  32 -18.660  -2.711   2.890
  267    HB   THR  32           HB       THR  32 -17.022  -3.102   4.709
  268    HG1  THR  32           HG1      THR  32 -15.151  -2.172   4.127
  269   1HG2  THR  32          2HG2      THR  32 -16.664  -4.872   2.288
  270   2HG2  THR  32          1HG2      THR  32 -16.277  -5.315   3.951
  271   3HG2  THR  32          3HG2      THR  32 -17.949  -5.001   3.489
  272    H    GLY  33           H        GLY  33 -15.614  -0.838   2.861
  273   1HA   GLY  33           HA3      GLY  33 -16.747   1.169   4.592
  274   2HA   GLY  33           HA2      GLY  33 -16.579   1.699   2.926
  275    H    TYR  34           H        TYR  34 -14.429  -0.404   4.809
  276    HA   TYR  34           HA       TYR  34 -12.472   1.700   5.111
  277   1HB   TYR  34           HB2      TYR  34 -12.368  -1.233   5.829
  278   2HB   TYR  34           HB3      TYR  34 -11.108  -0.066   6.212
  279    HD1  TYR  34           HD1      TYR  34 -14.660  -0.919   6.840
  280    HD2  TYR  34           HD2      TYR  34 -11.262   1.297   8.141
  281    HE1  TYR  34           HE1      TYR  34 -15.825  -0.370   8.935
  282    HE2  TYR  34           HE2      TYR  34 -12.423   1.848  10.237
  283    HH   TYR  34           HH       TYR  34 -15.260   0.290  11.238
  284    H    MET  35           H        MET  35 -10.091   0.894   4.665
  285    HA   MET  35           HA       MET  35  -9.835  -0.441   2.100
  286   1HB   MET  35           HB2      MET  35  -9.939   1.690   1.209
  287   2HB   MET  35           HB3      MET  35  -9.289   2.434   2.666
  288   1HG   MET  35           HG2      MET  35  -7.083   1.506   2.123
  289   2HG   MET  35           HG3      MET  35  -7.750   0.874   0.635
  290   1HE   MET  35           HE3      MET  35  -9.698   2.977  -0.333
  291   2HE   MET  35           HE2      MET  35  -8.782   4.190  -1.228
  292   3HE   MET  35           HE1      MET  35  -8.474   2.475  -1.497
  293    H    TRP  36           H        TRP  36  -7.769  -1.246   1.740
  294    HA   TRP  36           HA       TRP  36  -6.045  -1.268   4.115
  295   1HB   TRP  36           HB2      TRP  36  -6.757  -3.263   2.105
  296   2HB   TRP  36           HB3      TRP  36  -5.031  -3.155   2.399
  297    HD1  TRP  36           HD1      TRP  36  -7.852  -5.058   3.548
  298    HE1  TRP  36           HE1      TRP  36  -7.492  -5.992   5.922
  299    HE3  TRP  36           HE3      TRP  36  -3.886  -2.167   4.960
  300    HZ2  TRP  36           HZ2      TRP  36  -5.755  -5.555   8.099
  301    HZ3  TRP  36           HZ3      TRP  36  -2.935  -2.488   7.202
  302    HH2  TRP  36           HH2      TRP  36  -3.855  -4.146   8.737
  303    H    THR  37           H        THR  37  -5.210   0.821   3.590
  304    HA   THR  37           HA       THR  37  -3.226   0.735   1.408
  305    HB   THR  37           HB       THR  37  -5.163   2.260   0.925
  306    HG1  THR  37           HG1      THR  37  -3.728   3.381  -0.149
  307   1HG2  THR  37          1HG2      THR  37  -4.019   3.786   3.273
  308   2HG2  THR  37          3HG2      THR  37  -5.220   4.415   2.144
  309   3HG2  THR  37          2HG2      THR  37  -5.617   3.043   3.181
  310    H    ARG  38           H        ARG  38  -1.921   3.170   2.044
  311    HA   ARG  38           HA       ARG  38  -0.502   2.319   4.430
  312   1HB   ARG  38           HB2      ARG  38   0.127   3.981   2.092
  313   2HB   ARG  38           HB3      ARG  38   0.780   4.595   3.599
  314   1HG   ARG  38           HG2      ARG  38   2.025   2.651   3.977
  315   2HG   ARG  38           HG3      ARG  38   1.182   1.775   2.698
  316   1HD   ARG  38           HD2      ARG  38   3.499   2.623   2.167
  317   2HD   ARG  38           HD3      ARG  38   2.260   2.999   1.004
  318    HE   ARG  38           HE       ARG  38   2.268   5.262   1.921
  319   1HH1  ARG  38          1HH1      ARG  38   4.918   3.177   2.796
  320   2HH1  ARG  38          2HH1      ARG  38   6.020   4.480   3.090
  321   1HH2  ARG  38          1HH2      ARG  38   3.732   6.992   2.291
  322   2HH2  ARG  38          2HH2      ARG  38   5.346   6.643   2.806
  323    H    VAL  39           H        VAL  39  -0.454   3.343   6.346
  324    HA   VAL  39           HA       VAL  39  -2.549   4.868   7.255
  325    HB   VAL  39           HB       VAL  39   0.259   4.963   8.372
  326   1HG1  VAL  39          1HG1      VAL  39  -2.425   5.418   9.670
  327   2HG1  VAL  39          3HG1      VAL  39  -0.875   5.378  10.512
  328   3HG1  VAL  39          2HG1      VAL  39  -1.204   6.644   9.329
  329   1HG2  VAL  39          1HG2      VAL  39  -0.720   2.648   7.973
  330   2HG2  VAL  39          3HG2      VAL  39  -0.187   3.017   9.613
  331   3HG2  VAL  39          2HG2      VAL  39  -1.907   3.055   9.214
  332    H    GLY  40           H        GLY  40  -2.785   7.063   7.857
  333   1HA   GLY  40           HA3      GLY  40  -0.905   9.079   7.181
  334   2HA   GLY  40           HA2      GLY  40  -2.589   9.340   7.616
  335    H    PHE  41           H        PHE  41  -2.678   7.196   5.165
  336    HA   PHE  41           HA       PHE  41  -2.974   9.322   3.155
  337   1HB   PHE  41           HB2      PHE  41  -1.848   6.550   2.709
  338   2HB   PHE  41           HB3      PHE  41  -2.109   7.762   1.457
  339    HD1  PHE  41           HD1      PHE  41  -1.179  10.198   2.682
  340    HD2  PHE  41           HD2      PHE  41   0.439   6.276   2.923
  341    HE1  PHE  41           HE1      PHE  41   1.048  11.151   3.131
  342    HE2  PHE  41           HE2      PHE  41   2.664   7.216   3.379
  343    HZ   PHE  41           HZ       PHE  41   2.974   9.656   3.482
  344    H    VAL  42           H        VAL  42  -5.017   8.511   4.729
  345    HA   VAL  42           HA       VAL  42  -6.587   6.466   3.458
  346    HB   VAL  42           HB       VAL  42  -6.871   6.680   5.796
  347   1HG1  VAL  42          3HG1      VAL  42  -6.047   8.959   6.047
  348   2HG1  VAL  42          2HG1      VAL  42  -7.557   9.581   5.381
  349   3HG1  VAL  42          1HG1      VAL  42  -7.561   8.719   6.920
  350   1HG2  VAL  42          2HG2      VAL  42  -8.932   6.220   4.542
  351   2HG2  VAL  42          1HG2      VAL  42  -9.250   7.076   6.050
  352   3HG2  VAL  42          3HG2      VAL  42  -9.287   7.947   4.519
  353    H    GLY  43           H        GLY  43  -7.113   7.007   1.385
  354   1HA   GLY  43           HA3      GLY  43  -8.804   9.408   1.076
  355   2HA   GLY  43           HA2      GLY  43  -9.023   7.920   0.170
  356    H    LYS  44           H        LYS  44  -5.778   8.975   0.634
  357    HA   LYS  44           HA       LYS  44  -5.607  10.653  -1.660
  358   1HB   LYS  44           HB2      LYS  44  -3.479   9.260  -0.035
  359   2HB   LYS  44           HB3      LYS  44  -3.147  10.415  -1.314
  360   1HG   LYS  44           HG2      LYS  44  -4.528  12.076  -0.013
  361   2HG   LYS  44           HG3      LYS  44  -4.512  10.912   1.314
  362   1HD   LYS  44           HD2      LYS  44  -2.047  10.955   1.284
  363   2HD   LYS  44           HD3      LYS  44  -2.102  12.179   0.015
  364   1HE   LYS  44           HE2      LYS  44  -3.306  13.686   1.520
  365   2HE   LYS  44           HE3      LYS  44  -3.253  12.462   2.789
  366   1HZ   LYS  44           HZ2      LYS  44  -0.840  12.596   2.765
  367   2HZ   LYS  44           HZ1      LYS  44  -0.892  13.772   1.550
  368   3HZ   LYS  44           HZ3      LYS  44  -1.520  14.111   3.085
  369    H    ASP  45           H        ASP  45  -3.852  10.102  -3.356
  370    HA   ASP  45           HA       ASP  45  -4.677   7.634  -4.635
  371   1HB   ASP  45           HB2      ASP  45  -3.324  10.147  -5.488
  372   2HB   ASP  45           HB3      ASP  45  -3.044   8.695  -6.437
  373    H    VAL  46           H        VAL  46  -1.546   9.257  -4.149
  374    HA   VAL  46           HA       VAL  46  -0.212   6.650  -4.228
  375    HB   VAL  46           HB       VAL  46   0.644   8.550  -5.628
  376   1HG1  VAL  46          1HG1      VAL  46   0.259  10.351  -4.022
  377   2HG1  VAL  46          3HG1      VAL  46   1.490   9.666  -2.959
  378   3HG1  VAL  46          2HG1      VAL  46   1.944  10.302  -4.541
  379   1HG2  VAL  46          3HG2      VAL  46   2.534   7.412  -3.570
  380   2HG2  VAL  46          2HG2      VAL  46   2.057   6.647  -5.086
  381   3HG2  VAL  46          1HG2      VAL  46   3.006   8.132  -5.109
  382    H    LEU  47           H        LEU  47   1.100   5.905  -2.609
  383    HA   LEU  47           HA       LEU  47   0.626   7.113   0.023
  384   1HB   LEU  47           HB2      LEU  47   1.739   4.375  -0.345
  385   2HB   LEU  47           HB3      LEU  47   0.744   5.005   0.950
  386    HG   LEU  47           HG       LEU  47  -0.227   4.385  -1.840
  387   1HD1  LEU  47          1HD1      LEU  47  -0.589   2.885   0.748
  388   2HD1  LEU  47          3HD1      LEU  47  -1.425   2.524  -0.763
  389   3HD1  LEU  47          2HD1      LEU  47   0.328   2.350  -0.660
  390   1HD2  LEU  47          1HD2      LEU  47  -1.714   5.242   0.636
  391   2HD2  LEU  47          3HD2      LEU  47  -1.494   6.184  -0.839
  392   3HD2  LEU  47          2HD2      LEU  47  -2.464   4.710  -0.869
  393    H    SER  48           H        SER  48   3.121   5.396  -1.805
  394    HA   SER  48           HA       SER  48   5.319   5.794  -0.231
  395   1HB   SER  48           HB2      SER  48   6.632   5.409  -2.190
  396   2HB   SER  48           HB3      SER  48   5.153   4.476  -2.377
  397    HG   SER  48           HG       SER  48   6.078   6.088  -4.117
  398    H    ASP  49           H        ASP  49   7.273   7.220  -0.934
  399    HA   ASP  49           HA       ASP  49   6.578   9.870  -1.844
  400   1HB   ASP  49           HB2      ASP  49   7.324   9.344   1.027
  401   2HB   ASP  49           HB3      ASP  49   7.560  10.917   0.270
  402    H    GLU  50           H        GLU  50   9.171   9.144   0.399
  403    HA   GLU  50           HA       GLU  50  11.103   9.210  -1.815
  404   1HB   GLU  50           HB2      GLU  50  12.532  10.676  -0.509
  405   2HB   GLU  50           HB3      GLU  50  10.946  11.409  -0.721
  406   1HG   GLU  50           HG2      GLU  50  10.319  10.669   1.532
  407   2HG   GLU  50           HG3      GLU  50  11.942  10.015   1.750
  408    H    ILE  51           H        ILE  51  10.267   8.131   1.398
  409    HA   ILE  51           HA       ILE  51  12.716   6.766   1.934
  410    HB   ILE  51           HB       ILE  51  10.030   6.215   3.183
  411   1HG1  ILE  51          2HG1      ILE  51  10.590   8.644   3.201
  412   2HG1  ILE  51          3HG1      ILE  51  10.513   7.929   4.805
  413   1HG2  ILE  51          1HG2      ILE  51  12.856   5.841   4.164
  414   2HG2  ILE  51          3HG2      ILE  51  11.406   5.585   5.136
  415   3HG2  ILE  51          2HG2      ILE  51  11.712   4.573   3.724
  416   1HD1  ILE  51          3HD1      ILE  51  13.048   8.457   3.272
  417   2HD1  ILE  51          2HD1      ILE  51  12.389   9.492   4.540
  418   3HD1  ILE  51          1HD1      ILE  51  12.924   7.856   4.926
  419    H    LEU  52           H        LEU  52   9.489   5.311   1.710
  420    HA   LEU  52           HA       LEU  52  10.713   2.984   0.385
  421   1HB   LEU  52           HB2      LEU  52   8.181   3.297   1.985
  422   2HB   LEU  52           HB3      LEU  52   8.508   1.873   1.021
  423    HG   LEU  52           HG       LEU  52  10.146   2.830   3.365
  424   1HD1  LEU  52          3HD1      LEU  52   7.925   1.877   3.916
  425   2HD1  LEU  52          2HD1      LEU  52   8.401   0.395   3.088
  426   3HD1  LEU  52          1HD1      LEU  52   9.275   0.920   4.526
  427   1HD2  LEU  52          2HD2      LEU  52  10.442   0.396   1.618
  428   2HD2  LEU  52          1HD2      LEU  52  11.563   1.752   1.733
  429   3HD2  LEU  52          3HD2      LEU  52  11.326   0.685   3.117
  430    H    GLU  53           H        GLU  53  10.443   2.867  -1.767
  431    HA   GLU  53           HA       GLU  53   8.473   4.362  -3.168
  432   1HB   GLU  53           HB2      GLU  53  10.649   2.528  -3.826
  433   2HB   GLU  53           HB3      GLU  53   9.262   2.334  -4.887
  434   1HG   GLU  53           HG2      GLU  53  10.076   5.100  -4.398
  435   2HG   GLU  53           HG3      GLU  53  11.254   4.109  -5.255
  436    H    VAL  54           H        VAL  54   6.717   3.547  -1.712
  437    HA   VAL  54           HA       VAL  54   5.807   0.859  -2.028
  438    HB   VAL  54           HB       VAL  54   4.197   3.158  -0.944
  439   1HG1  VAL  54          1HG1      VAL  54   2.978   1.091  -1.396
  440   2HG1  VAL  54          3HG1      VAL  54   4.130   0.191  -0.409
  441   3HG1  VAL  54          2HG1      VAL  54   3.087   1.400   0.338
  442   1HG2  VAL  54          1HG2      VAL  54   6.358   1.537   0.361
  443   2HG2  VAL  54          3HG2      VAL  54   6.170   3.288   0.314
  444   3HG2  VAL  54          2HG2      VAL  54   5.081   2.310   1.296
  445    H    VAL  55           H        VAL  55   5.558   0.643  -4.284
  446    HA   VAL  55           HA       VAL  55   3.593   2.264  -5.644
  447    HB   VAL  55           HB       VAL  55   4.857  -0.293  -6.618
  448   1HG1  VAL  55          1HG1      VAL  55   2.797   0.603  -7.752
  449   2HG1  VAL  55          3HG1      VAL  55   3.755   2.010  -8.209
  450   3HG1  VAL  55          2HG1      VAL  55   4.209   0.408  -8.791
  451   1HG2  VAL  55          3HG2      VAL  55   5.829   2.543  -6.969
  452   2HG2  VAL  55          2HG2      VAL  55   6.618   1.281  -6.023
  453   3HG2  VAL  55          1HG2      VAL  55   6.499   1.125  -7.776
  454    H    CYS  56           H        CYS  56   1.764   1.900  -4.439
  455    HA   CYS  56           HA       CYS  56   0.736  -0.838  -4.305
  456   1HB   CYS  56           HB2      CYS  56   0.782   0.284  -2.172
  457   2HB   CYS  56           HB3      CYS  56  -0.084   1.667  -2.831
  458    HG   CYS  56           HG       CYS  56  -1.493  -0.381  -1.092
  459    H    LYS  57           H        LYS  57  -0.923  -1.486  -5.468
  460    HA   LYS  57           HA       LYS  57  -2.531   0.535  -6.876
  461   1HB   LYS  57           HB2      LYS  57  -2.037  -2.236  -7.921
  462   2HB   LYS  57           HB3      LYS  57  -2.643  -0.837  -8.791
  463   1HG   LYS  57           HG2      LYS  57  -0.446   0.225  -8.613
  464   2HG   LYS  57           HG3      LYS  57   0.164  -1.196  -7.761
  465   1HD   LYS  57           HD2      LYS  57  -0.326  -2.580  -9.720
  466   2HD   LYS  57           HD3      LYS  57  -0.934  -1.159 -10.572
  467   1HE   LYS  57           HE2      LYS  57   1.272  -0.118 -10.413
  468   2HE   LYS  57           HE3      LYS  57   1.880  -1.535  -9.558
  469   1HZ   LYS  57           HZ2      LYS  57   1.407  -2.872 -11.518
  470   2HZ   LYS  57           HZ1      LYS  57   0.836  -1.507 -12.337
  471   3HZ   LYS  57           HZ3      LYS  57   2.465  -1.608 -11.893
  472    H    TYR  58           H        TYR  58  -4.435   0.595  -5.942
  473    HA   TYR  58           HA       TYR  58  -5.554  -1.694  -4.588
  474   1HB   TYR  58           HB2      TYR  58  -5.753   0.723  -3.795
  475   2HB   TYR  58           HB3      TYR  58  -6.904   0.963  -5.106
  476    HD1  TYR  58           HD1      TYR  58  -8.500  -1.490  -5.022
  477    HD2  TYR  58           HD2      TYR  58  -6.945   0.865  -1.813
  478    HE1  TYR  58           HE1      TYR  58 -10.312  -2.291  -3.580
  479    HE2  TYR  58           HE2      TYR  58  -8.782   0.078  -0.375
  480    HH   TYR  58           HH       TYR  58 -10.781  -2.535  -1.178
  481    H    THR  59           H        THR  59  -6.457  -3.254  -5.757
  482    HA   THR  59           HA       THR  59  -8.007  -2.511  -8.156
  483    HB   THR  59           HB       THR  59  -6.881  -5.256  -7.652
  484    HG1  THR  59           HG1      THR  59  -5.133  -4.494  -9.082
  485   1HG2  THR  59          2HG2      THR  59  -8.614  -4.944  -9.399
  486   2HG2  THR  59          1HG2      THR  59  -7.559  -3.784 -10.205
  487   3HG2  THR  59          3HG2      THR  59  -7.067  -5.471 -10.060
  488    HA   PRO  60           HA       PRO  60 -11.279  -4.524  -5.779
  489   1HB   PRO  60           HB2      PRO  60 -13.211  -2.828  -6.351
  490   2HB   PRO  60           HB3      PRO  60 -11.853  -2.280  -5.361
  491   1HG   PRO  60           HG2      PRO  60 -12.447  -1.762  -8.241
  492   2HG   PRO  60           HG3      PRO  60 -11.694  -0.693  -7.042
  493   1HD   PRO  60           HD2      PRO  60 -10.386  -2.333  -8.956
  494   2HD   PRO  60           HD3      PRO  60  -9.631  -1.397  -7.649
  495    H    THR  61           H        THR  61 -10.485  -4.772  -8.848
  496    HA   THR  61           HA       THR  61 -12.997  -5.336 -10.066
  497    HB   THR  61           HB       THR  61 -10.234  -5.833 -11.121
  498    HG1  THR  61           HG1      THR  61 -11.457  -3.938 -12.460
  499   1HG2  THR  61          3HG2      THR  61 -12.900  -5.903 -12.539
  500   2HG2  THR  61          2HG2      THR  61 -11.322  -6.029 -13.316
  501   3HG2  THR  61          1HG2      THR  61 -11.863  -7.290 -12.209
  502    HA   PRO  62           HA       PRO  62 -10.828  -9.862  -9.931
  503   1HB   PRO  62           HB2      PRO  62 -10.104  -9.360  -7.075
  504   2HB   PRO  62           HB3      PRO  62  -9.320 -10.404  -8.264
  505   1HG   PRO  62           HG2      PRO  62  -8.348  -7.970  -7.635
  506   2HG   PRO  62           HG3      PRO  62  -8.208  -8.654  -9.264
  507   1HD   PRO  62           HD2      PRO  62  -9.902  -6.433  -8.315
  508   2HD   PRO  62           HD3      PRO  62  -9.397  -6.834  -9.958
  509    H    SER  63           H        SER  63 -12.996 -10.467 -10.086
  510    HA   SER  63           HA       SER  63 -14.868 -10.197  -7.986
  511   1HB   SER  63           HB2      SER  63 -14.859 -12.007 -10.410
  512   2HB   SER  63           HB3      SER  63 -16.244 -11.732  -9.362
  513    HG   SER  63           HG       SER  63 -15.247  -9.377 -10.118
  514    H    SER  64           H        SER  64 -15.179 -11.400  -6.229
  515    HA   SER  64           HA       SER  64 -13.970 -14.087  -6.137
  516   1HB   SER  64           HB2      SER  64 -12.684 -12.541  -4.737
  517   2HB   SER  64           HB3      SER  64 -14.154 -12.073  -3.882
  518    HG   SER  64           HG       SER  64 -13.033 -13.642  -2.705
  519    H    THR  65           H        THR  65 -16.710 -12.085  -5.550
  520    HA   THR  65           HA       THR  65 -18.164 -13.677  -3.759
  521    HB   THR  65           HB       THR  65 -20.174 -12.538  -4.630
  522    HG1  THR  65           HG1      THR  65 -19.366 -10.786  -6.286
  523   1HG2  THR  65          1HG2      THR  65 -18.774 -11.398  -2.980
  524   2HG2  THR  65          3HG2      THR  65 -17.795 -10.711  -4.275
  525   3HG2  THR  65          2HG2      THR  65 -19.485 -10.242  -4.106
  526    HA   PRO  66           HA       PRO  66 -19.490 -17.111  -6.197
  527   1HB   PRO  66           HB2      PRO  66 -21.883 -17.705  -5.123
  528   2HB   PRO  66           HB3      PRO  66 -20.378 -17.931  -4.221
  529   1HG   PRO  66           HG2      PRO  66 -22.321 -15.642  -4.120
  530   2HG   PRO  66           HG3      PRO  66 -21.582 -16.531  -2.772
  531   1HD   PRO  66           HD2      PRO  66 -20.641 -14.142  -3.618
  532   2HD   PRO  66           HD3      PRO  66 -19.571 -15.407  -2.978
  533    H    MET  67           H        MET  67 -20.615 -14.181  -6.694
  534    HA   MET  67           HA       MET  67 -22.248 -15.001  -8.964
  535   1HB   MET  67           HB2      MET  67 -23.168 -12.988  -6.908
  536   2HB   MET  67           HB3      MET  67 -23.952 -13.264  -8.457
  537   1HG   MET  67           HG2      MET  67 -24.426 -15.570  -7.804
  538   2HG   MET  67           HG3      MET  67 -23.650 -15.285  -6.247
  539   1HE   MET  67           HE3      MET  67 -24.594 -13.624  -4.405
  540   2HE   MET  67           HE2      MET  67 -24.596 -12.316  -5.588
  541   3HE   MET  67           HE1      MET  67 -26.040 -12.637  -4.628
  542    H    VAL  68           H        VAL  68 -22.322 -11.730  -7.886
  543    HA   VAL  68           HA       VAL  68 -20.094 -10.960  -9.616
  544    HB   VAL  68           HB       VAL  68 -22.853  -9.759  -9.921
  545   1HG1  VAL  68          3HG1      VAL  68 -20.266  -9.225 -11.377
  546   2HG1  VAL  68          2HG1      VAL  68 -21.838  -8.564 -11.827
  547   3HG1  VAL  68          1HG1      VAL  68 -21.107  -8.126 -10.283
  548   1HG2  VAL  68          3HG2      VAL  68 -21.315 -11.568 -11.781
  549   2HG2  VAL  68          2HG2      VAL  68 -22.777 -11.986 -10.888
  550   3HG2  VAL  68          1HG2      VAL  68 -22.839 -10.765 -12.159
  551    H    GLY  69           H        GLY  69 -19.097  -9.054  -9.030
  552   1HA   GLY  69           HA3      GLY  69 -19.301  -8.213  -6.369
  553   2HA   GLY  69           HA2      GLY  69 -20.219  -7.084  -7.353
  554    H    VAL  70           H        VAL  70 -18.273  -5.924  -6.076
  555    HA   VAL  70           HA       VAL  70 -15.992  -5.783  -7.930
  556    HB   VAL  70           HB       VAL  70 -17.243  -3.382  -6.591
  557   1HG1  VAL  70          1HG1      VAL  70 -14.866  -3.146  -7.083
  558   2HG1  VAL  70          3HG1      VAL  70 -15.157  -3.608  -8.760
  559   3HG1  VAL  70          2HG1      VAL  70 -15.830  -2.105  -8.129
  560   1HG2  VAL  70          1HG2      VAL  70 -17.534  -4.333  -9.439
  561   2HG2  VAL  70          3HG2      VAL  70 -18.803  -4.287  -8.215
  562   3HG2  VAL  70          2HG2      VAL  70 -18.101  -2.784  -8.813
  563    H    GLY  71           H        GLY  71 -15.119  -7.260  -6.242
  564   1HA   GLY  71           HA3      GLY  71 -14.614  -7.159  -3.714
  565   2HA   GLY  71           HA2      GLY  71 -13.813  -5.660  -4.152
  566    H    GLY  72           H        GLY  72 -11.790  -5.720  -4.962
  567   1HA   GLY  72           HA3      GLY  72 -10.008  -6.747  -6.179
  568   2HA   GLY  72           HA2      GLY  72 -10.684  -8.315  -5.780
  569    H    ILE  73           H        ILE  73  -8.135  -6.412  -5.203
  570    HA   ILE  73           HA       ILE  73  -7.901  -7.011  -2.367
  571    HB   ILE  73           HB       ILE  73  -5.616  -7.956  -2.721
  572   1HG1  ILE  73          2HG1      ILE  73  -6.450  -8.637  -5.510
  573   2HG1  ILE  73          3HG1      ILE  73  -5.590  -7.134  -5.172
  574   1HG2  ILE  73          1HG2      ILE  73  -7.592  -9.324  -2.163
  575   2HG2  ILE  73          3HG2      ILE  73  -7.804  -9.644  -3.885
  576   3HG2  ILE  73          2HG2      ILE  73  -6.344 -10.195  -3.056
  577   1HD1  ILE  73          3HD1      ILE  73  -3.767  -8.415  -4.163
  578   2HD1  ILE  73          2HD1      ILE  73  -4.623  -9.912  -4.536
  579   3HD1  ILE  73          1HD1      ILE  73  -4.047  -8.876  -5.845
  580    H    TYR  74           H        TYR  74  -5.280  -6.480  -1.978
  581    HA   TYR  74           HA       TYR  74  -4.895  -3.761  -3.033
  582   1HB   TYR  74           HB2      TYR  74  -4.024  -4.512  -0.263
  583   2HB   TYR  74           HB3      TYR  74  -4.430  -2.925  -0.910
  584    HD1  TYR  74           HD1      TYR  74  -6.675  -2.101  -0.833
  585    HD2  TYR  74           HD2      TYR  74  -5.846  -6.104   0.336
  586    HE1  TYR  74           HE1      TYR  74  -8.931  -2.294   0.133
  587    HE2  TYR  74           HE2      TYR  74  -8.093  -6.299   1.293
  588    HH   TYR  74           HH       TYR  74 -10.550  -4.044   0.698
  589    H    VAL  75           H        VAL  75  -3.228  -4.080  -4.435
  590    HA   VAL  75           HA       VAL  75  -1.046  -5.871  -3.735
  591    HB   VAL  75           HB       VAL  75  -1.563  -4.260  -6.239
  592   1HG1  VAL  75          2HG1      VAL  75   0.622  -6.254  -5.647
  593   2HG1  VAL  75          1HG1      VAL  75   0.271  -5.571  -7.234
  594   3HG1  VAL  75          3HG1      VAL  75   0.826  -4.525  -5.927
  595   1HG2  VAL  75          2HG2      VAL  75  -3.117  -6.113  -5.898
  596   2HG2  VAL  75          1HG2      VAL  75  -2.035  -6.429  -7.255
  597   3HG2  VAL  75          3HG2      VAL  75  -1.758  -7.221  -5.704
  598    H    VAL  76           H        VAL  76   0.374  -5.038  -2.347
  599    HA   VAL  76           HA       VAL  76   1.249  -2.254  -2.737
  600    HB   VAL  76           HB       VAL  76   1.625  -3.981  -0.289
  601   1HG1  VAL  76          3HG1      VAL  76   2.107  -1.048  -0.792
  602   2HG1  VAL  76          2HG1      VAL  76   2.169  -1.817   0.794
  603   3HG1  VAL  76          1HG1      VAL  76   3.322  -2.282  -0.458
  604   1HG2  VAL  76          1HG2      VAL  76  -0.742  -3.508  -0.682
  605   2HG2  VAL  76          3HG2      VAL  76  -0.142  -2.642   0.733
  606   3HG2  VAL  76          2HG2      VAL  76  -0.383  -1.785  -0.789
  607    H    LEU  77           H        LEU  77   3.168  -1.912  -3.621
  608    HA   LEU  77           HA       LEU  77   5.227  -4.011  -3.424
  609   1HB   LEU  77           HB2      LEU  77   4.821  -1.861  -5.502
  610   2HB   LEU  77           HB3      LEU  77   6.239  -2.889  -5.428
  611    HG   LEU  77           HG       LEU  77   3.393  -3.804  -5.907
  612   1HD1  LEU  77          2HD1      LEU  77   4.354  -2.632  -7.814
  613   2HD1  LEU  77          1HD1      LEU  77   5.773  -3.677  -7.753
  614   3HD1  LEU  77          3HD1      LEU  77   4.194  -4.357  -8.147
  615   1HD2  LEU  77          3HD2      LEU  77   5.085  -5.328  -4.635
  616   2HD2  LEU  77          2HD2      LEU  77   4.119  -5.987  -5.958
  617   3HD2  LEU  77          1HD2      LEU  77   5.800  -5.535  -6.234
  618    H    VAL  78           H        VAL  78   6.456  -3.475  -1.704
  619    HA   VAL  78           HA       VAL  78   7.119  -0.652  -1.296
  620    HB   VAL  78           HB       VAL  78   8.247  -2.442   0.678
  621   1HG1  VAL  78          3HG1      VAL  78   7.943  -0.036   0.995
  622   2HG1  VAL  78          2HG1      VAL  78   6.193  -0.224   0.838
  623   3HG1  VAL  78          1HG1      VAL  78   7.041  -0.943   2.209
  624   1HG2  VAL  78          1HG2      VAL  78   6.351  -3.868   0.038
  625   2HG2  VAL  78          3HG2      VAL  78   6.184  -3.233   1.674
  626   3HG2  VAL  78          2HG2      VAL  78   5.252  -2.526   0.354
  627    H    LYS  79           H        LYS  79   8.801  -0.003  -2.442
  628    HA   LYS  79           HA       LYS  79  11.170  -1.745  -2.609
  629   1HB   LYS  79           HB2      LYS  79  10.003   0.295  -4.461
  630   2HB   LYS  79           HB3      LYS  79  11.733  -0.014  -4.507
  631   1HG   LYS  79           HG2      LYS  79  11.269  -2.397  -4.910
  632   2HG   LYS  79           HG3      LYS  79   9.534  -2.033  -4.952
  633   1HD   LYS  79           HD2      LYS  79  11.602  -0.821  -6.791
  634   2HD   LYS  79           HD3      LYS  79  10.565  -2.187  -7.204
  635   1HE   LYS  79           HE2      LYS  79   8.586  -0.786  -6.868
  636   2HE   LYS  79           HE3      LYS  79   9.623   0.579  -6.459
  637   1HZ   LYS  79           HZ3      LYS  79  10.566   0.483  -8.681
  638   2HZ   LYS  79           HZ2      LYS  79   9.570  -0.826  -9.075
  639   3HZ   LYS  79           HZ1      LYS  79   8.887   0.688  -8.753
  640    HA   PRO  80           HA       PRO  80  12.549   1.347   0.490
  641   1HB   PRO  80           HB2      PRO  80  15.033  -0.010   0.602
  642   2HB   PRO  80           HB3      PRO  80  13.712  -0.096   1.768
  643   1HG   PRO  80           HG2      PRO  80  14.442  -1.967  -0.398
  644   2HG   PRO  80           HG3      PRO  80  13.590  -2.281   1.125
  645   1HD   PRO  80           HD2      PRO  80  12.328  -2.261  -1.264
  646   2HD   PRO  80           HD3      PRO  80  11.536  -1.742   0.238
  647    H    ARG  81           H        ARG  81  12.923   3.184  -0.573
  648    HA   ARG  81           HA       ARG  81  14.674   3.405  -2.810
  649   1HB   ARG  81           HB2      ARG  81  12.836   5.117  -1.354
  650   2HB   ARG  81           HB3      ARG  81  14.305   5.971  -1.800
  651   1HG   ARG  81           HG2      ARG  81  13.966   5.495  -4.111
  652   2HG   ARG  81           HG3      ARG  81  12.620   4.413  -3.742
  653   1HD   ARG  81           HD2      ARG  81  11.287   6.233  -2.949
  654   2HD   ARG  81           HD3      ARG  81  12.649   7.350  -3.071
  655    HE   ARG  81           HE       ARG  81  11.930   6.107  -5.564
  656   1HH1  ARG  81          1HH1      ARG  81  11.330   8.777  -3.407
  657   2HH1  ARG  81          2HH1      ARG  81  10.700   9.806  -4.650
  658   1HH2  ARG  81          1HH2      ARG  81  11.102   7.455  -7.206
  659   2HH2  ARG  81          2HH2      ARG  81  10.569   9.055  -6.808
  660    H    LYS  82           H        LYS  82  14.896   4.290   0.610
  661    HA   LYS  82           HA       LYS  82  17.740   4.935   0.221
  662   1HB   LYS  82           HB2      LYS  82  15.975   5.693   2.552
  663   2HB   LYS  82           HB3      LYS  82  17.604   6.265   2.235
  664   1HG   LYS  82           HG2      LYS  82  16.779   7.353   0.174
  665   2HG   LYS  82           HG3      LYS  82  15.143   6.851   0.607
  666   1HD   LYS  82           HD2      LYS  82  15.296   8.131   2.684
  667   2HD   LYS  82           HD3      LYS  82  16.932   8.633   2.254
  668   1HE   LYS  82           HE2      LYS  82  16.045   9.730   0.239
  669   2HE   LYS  82           HE3      LYS  82  14.412   9.267   0.721
  670   1HZ   LYS  82           HZ2      LYS  82  16.235  11.030   2.269
  671   2HZ   LYS  82           HZ1      LYS  82  14.915  11.546   1.346
  672   3HZ   LYS  82           HZ3      LYS  82  14.664  10.593   2.722
  673    H    ARG  83           H        ARG  83  19.011   4.553   2.372
  674    HA   ARG  83           HA       ARG  83  18.448   1.792   3.220
  675   1HB   ARG  83           HB2      ARG  83  21.095   3.241   3.274
  676   2HB   ARG  83           HB3      ARG  83  20.822   1.537   3.601
  677   1HG   ARG  83           HG2      ARG  83  20.288   1.100   1.330
  678   2HG   ARG  83           HG3      ARG  83  20.234   2.822   0.948
  679   1HD   ARG  83           HD2      ARG  83  22.623   3.003   1.437
  680   2HD   ARG  83           HD3      ARG  83  22.678   1.280   1.810
  681    HE   ARG  83           HE       ARG  83  21.654   1.495  -0.748
  682   1HH1  ARG  83          1HH1      ARG  83  24.606   2.324   0.907
  683   2HH1  ARG  83          2HH1      ARG  83  25.599   2.138  -0.500
  684   1HH2  ARG  83          1HH2      ARG  83  22.954   1.248  -2.606
  685   2HH2  ARG  83          2HH2      ARG  83  24.659   1.527  -2.496
  686    H    GLY  84           H        GLY  84  18.618   1.228   5.397
  687   1HA   GLY  84           HA3      GLY  84  18.531   3.528   7.245
  688   2HA   GLY  84           HA2      GLY  84  19.473   2.095   7.629
  689    H    HIS  85           H        HIS  85  16.755   3.594   8.441
  690    HA   HIS  85           HA       HIS  85  15.359   1.065   9.005
  691   1HB   HIS  85           HB2      HIS  85  16.168   2.244  11.002
  692   2HB   HIS  85           HB3      HIS  85  15.248   3.667  10.532
  693    HD1  HIS  85           HD1      HIS  85  12.847   3.768  11.252
  694    HD2  HIS  85           HD2      HIS  85  14.510  -0.006  11.756
  695    HE1  HIS  85           HE1      HIS  85  11.132   2.443  12.527
  696    HE2  HIS  85           HE2      HIS  85  12.124   0.137  12.742
  697    H    HIS  86           H        HIS  86  13.819   0.804   7.562
  698    HA   HIS  86           HA       HIS  86  12.041   3.075   6.958
  699   1HB   HIS  86           HB2      HIS  86  12.818   0.728   5.214
  700   2HB   HIS  86           HB3      HIS  86  11.533   1.867   4.814
  701    HD1  HIS  86           HD1      HIS  86  14.281   3.620   6.384
  702    HD2  HIS  86           HD2      HIS  86  13.363   2.330   2.545
  703    HE1  HIS  86           HE1      HIS  86  15.781   4.936   4.857
  704    HE2  HIS  86           HE2      HIS  86  15.129   4.216   2.533
  705    H    THR  87           H        THR  87   9.775   2.388   6.381
  706    HA   THR  87           HA       THR  87   8.884  -0.153   7.405
  707    HB   THR  87           HB       THR  87   8.072   2.356   8.879
  708    HG1  THR  87           HG1      THR  87  10.106   1.690   9.568
  709   1HG2  THR  87          2HG2      THR  87   6.277   0.680   8.640
  710   2HG2  THR  87          1HG2      THR  87   7.335  -0.528   9.371
  711   3HG2  THR  87          3HG2      THR  87   6.806   0.867  10.313
  712    H    LEU  88           H        LEU  88   6.803  -0.679   6.800
  713    HA   LEU  88           HA       LEU  88   5.474   1.247   5.014
  714   1HB   LEU  88           HB2      LEU  88   6.179  -0.641   3.756
  715   2HB   LEU  88           HB3      LEU  88   5.597  -1.758   4.970
  716    HG   LEU  88           HG       LEU  88   3.252  -0.805   4.406
  717   1HD1  LEU  88          3HD1      LEU  88   4.056   1.086   3.078
  718   2HD1  LEU  88          2HD1      LEU  88   4.757  -0.036   1.913
  719   3HD1  LEU  88          1HD1      LEU  88   3.010   0.023   2.139
  720   1HD2  LEU  88          1HD2      LEU  88   4.863  -2.629   2.655
  721   2HD2  LEU  88          3HD2      LEU  88   3.695  -3.050   3.906
  722   3HD2  LEU  88          2HD2      LEU  88   3.145  -2.347   2.385
  723    H    GLU  89           H        GLU  89   4.184   2.222   6.556
  724    HA   GLU  89           HA       GLU  89   2.587   0.718   8.377
  725   1HB   GLU  89           HB2      GLU  89   2.583   3.617   7.550
  726   2HB   GLU  89           HB3      GLU  89   1.501   2.962   8.770
  727   1HG   GLU  89           HG2      GLU  89   3.350   2.325  10.141
  728   2HG   GLU  89           HG3      GLU  89   4.498   2.829   8.904
  729    H    LEU  90           H        LEU  90   1.079  -0.604   7.516
  730    HA   LEU  90           HA       LEU  90  -0.808   0.590   5.593
  731   1HB   LEU  90           HB2      LEU  90   0.000  -2.282   6.005
  732   2HB   LEU  90           HB3      LEU  90  -1.427  -1.830   5.100
  733    HG   LEU  90           HG       LEU  90   1.404  -1.043   4.402
  734   1HD1  LEU  90          2HD1      LEU  90  -0.462  -3.087   3.211
  735   2HD1  LEU  90          1HD1      LEU  90   1.046  -2.554   2.469
  736   3HD1  LEU  90          3HD1      LEU  90   1.075  -3.392   4.019
  737   1HD2  LEU  90          3HD2      LEU  90  -0.225   0.642   3.720
  738   2HD2  LEU  90          2HD2      LEU  90   0.431  -0.211   2.323
  739   3HD2  LEU  90          1HD2      LEU  90  -1.184  -0.601   2.918
  740    H    VAL  91           H        VAL  91  -2.893   0.762   6.153
  741    HA   VAL  91           HA       VAL  91  -3.831  -0.637   8.561
  742    HB   VAL  91           HB       VAL  91  -3.110   1.588   9.268
  743   1HG1  VAL  91          3HG1      VAL  91  -5.000   2.562   7.127
  744   2HG1  VAL  91          2HG1      VAL  91  -4.306   3.590   8.385
  745   3HG1  VAL  91          1HG1      VAL  91  -3.251   2.801   7.211
  746   1HG2  VAL  91          3HG2      VAL  91  -6.109   1.282   9.189
  747   2HG2  VAL  91          2HG2      VAL  91  -5.013   0.653  10.419
  748   3HG2  VAL  91          1HG2      VAL  91  -5.231   2.393  10.240
  749    H    TYR  92           H        TYR  92  -6.132  -0.803   8.731
  750    HA   TYR  92           HA       TYR  92  -7.497  -0.760   6.152
  751   1HB   TYR  92           HB2      TYR  92  -7.486  -2.748   7.810
  752   2HB   TYR  92           HB3      TYR  92  -8.638  -1.798   8.739
  753    HD1  TYR  92           HD1      TYR  92 -10.595  -3.067   8.564
  754    HD2  TYR  92           HD2      TYR  92  -8.418  -2.101   5.038
  755    HE1  TYR  92           HE1      TYR  92 -12.429  -3.963   7.193
  756    HE2  TYR  92           HE2      TYR  92 -10.248  -2.992   3.658
  757    HH   TYR  92           HH       TYR  92 -13.314  -3.716   4.912
  758    H    THR  93           H        THR  93  -7.561   1.610   6.163
  759    HA   THR  93           HA       THR  93  -9.462   2.792   8.073
  760    HB   THR  93           HB       THR  93  -7.332   3.919   8.023
  761    HG1  THR  93           HG1      THR  93  -8.179   6.019   7.097
  762   1HG2  THR  93          1HG2      THR  93  -6.608   3.214   5.790
  763   2HG2  THR  93          3HG2      THR  93  -7.823   4.263   5.060
  764   3HG2  THR  93          2HG2      THR  93  -6.483   4.964   5.970
  765    H    ARG  94           H        ARG  94 -11.052   4.286   7.358
  766    HA   ARG  94           HA       ARG  94 -12.248   3.549   4.824
  767   1HB   ARG  94           HB2      ARG  94 -13.162   5.246   7.134
  768   2HB   ARG  94           HB3      ARG  94 -14.067   5.151   5.631
  769   1HG   ARG  94           HG2      ARG  94 -14.122   2.651   5.964
  770   2HG   ARG  94           HG3      ARG  94 -13.487   2.947   7.583
  771   1HD   ARG  94           HD2      ARG  94 -15.903   2.727   7.646
  772   2HD   ARG  94           HD3      ARG  94 -15.417   4.365   8.080
  773    HE   ARG  94           HE       ARG  94 -15.900   4.640   5.473
  774   1HH1  ARG  94          1HH1      ARG  94 -17.743   3.071   7.979
  775   2HH1  ARG  94          2HH1      ARG  94 -19.272   3.381   7.226
  776   1HH2  ARG  94          1HH2      ARG  94 -17.907   5.052   4.475
  777   2HH2  ARG  94          2HH2      ARG  94 -19.365   4.506   5.234
  778    HA   PRO  95           HA       PRO  95 -10.062   7.055   2.903
  779   1HB   PRO  95           HB2      PRO  95 -11.278   6.541   0.447
  780   2HB   PRO  95           HB3      PRO  95  -9.715   5.922   0.975
  781   1HG   PRO  95           HG2      PRO  95 -12.370   4.586   0.971
  782   2HG   PRO  95           HG3      PRO  95 -10.764   3.898   0.683
  783   1HD   PRO  95           HD2      PRO  95 -12.072   3.530   2.995
  784   2HD   PRO  95           HD3      PRO  95 -10.312   3.705   2.925
  785    H    PHE  96           H        PHE  96 -13.466   6.239   2.777
  786    HA   PHE  96           HA       PHE  96 -14.359   8.720   1.745
  787   1HB   PHE  96           HB2      PHE  96 -15.763   6.489   3.210
  788   2HB   PHE  96           HB3      PHE  96 -16.583   7.869   2.506
  789    HD1  PHE  96           HD1      PHE  96 -17.052   7.981   0.193
  790    HD2  PHE  96           HD2      PHE  96 -14.553   4.900   1.731
  791    HE1  PHE  96           HE1      PHE  96 -17.163   6.815  -1.971
  792    HE2  PHE  96           HE2      PHE  96 -14.659   3.728  -0.429
  793    HZ   PHE  96           HZ       PHE  96 -15.966   4.686  -2.285
  794    H    GLU  97           H        GLU  97 -13.571   7.574   4.937
  795    HA   GLU  97           HA       GLU  97 -14.539  10.132   6.033
  796   1HB   GLU  97           HB2      GLU  97 -14.497   7.443   7.411
  797   2HB   GLU  97           HB3      GLU  97 -14.913   8.964   8.189
  798   1HG   GLU  97           HG2      GLU  97 -16.791   9.211   6.598
  799   2HG   GLU  97           HG3      GLU  97 -16.403   7.619   5.947
  800    H    GLY  98           H        GLY  98 -12.717   7.671   7.759
  801   1HA   GLY  98           HA3      GLY  98 -10.913   9.403   8.932
  802   2HA   GLY  98           HA2      GLY  98 -10.152   8.886   7.436
  803    H    ILE  99           H        ILE  99  -8.968   8.357   9.798
  804    HA   ILE  99           HA       ILE  99  -9.154   5.433   9.886
  805    HB   ILE  99           HB       ILE  99  -6.897   7.016  11.045
  806   1HG1  ILE  99          2HG1      ILE  99  -6.932   6.109   8.176
  807   2HG1  ILE  99          3HG1      ILE  99  -7.457   7.727   8.632
  808   1HG2  ILE  99          3HG2      ILE  99  -7.243   4.250   9.907
  809   2HG2  ILE  99          2HG2      ILE  99  -5.659   4.947  10.259
  810   3HG2  ILE  99          1HG2      ILE  99  -6.826   4.705  11.560
  811   1HD1  ILE  99          2HD1      ILE  99  -4.736   6.537   9.129
  812   2HD1  ILE  99          1HD1      ILE  99  -5.149   7.719   7.887
  813   3HD1  ILE  99          3HD1      ILE  99  -5.254   8.158   9.592
  814    H    LYS 100           H        LYS 100  -9.281   4.320  11.822
  815    HA   LYS 100           HA       LYS 100  -9.652   5.900  14.270
  816   1HB   LYS 100           HB2      LYS 100 -11.423   3.549  13.892
  817   2HB   LYS 100           HB3      LYS 100 -11.735   5.070  14.711
  818   1HG   LYS 100           HG2      LYS 100 -11.947   6.178  12.518
  819   2HG   LYS 100           HG3      LYS 100 -11.740   4.609  11.739
  820   1HD   LYS 100           HD2      LYS 100 -13.877   4.078  12.071
  821   2HD   LYS 100           HD3      LYS 100 -13.777   4.498  13.783
  822   1HE   LYS 100           HE2      LYS 100 -14.094   6.858  13.214
  823   2HE   LYS 100           HE3      LYS 100 -14.219   6.428  11.507
  824   1HZ   LYS 100           HZ1      LYS 100 -16.182   5.115  12.021
  825   2HZ   LYS 100           HZ3      LYS 100 -16.064   5.531  13.656
  826   3HZ   LYS 100           HZ2      LYS 100 -16.398   6.722  12.503
  827    HA   PRO 101           HA       PRO 101  -7.266   2.833  16.354
  828   1HB   PRO 101           HB2      PRO 101  -9.278   2.423  18.451
  829   2HB   PRO 101           HB3      PRO 101  -7.670   3.134  18.570
  830   1HG   PRO 101           HG2      PRO 101  -9.900   4.615  18.792
  831   2HG   PRO 101           HG3      PRO 101  -8.426   5.238  18.038
  832   1HD   PRO 101           HD2      PRO 101 -10.913   4.194  16.743
  833   2HD   PRO 101           HD3      PRO 101  -9.938   5.617  16.317
  834    H    GLU 102           H        GLU 102 -10.693   1.956  16.217
  835    HA   GLU 102           HA       GLU 102 -10.321  -0.819  16.607
  836   1HB   GLU 102           HB2      GLU 102 -12.632  -1.024  15.751
  837   2HB   GLU 102           HB3      GLU 102 -12.469   0.191  17.014
  838   1HG   GLU 102           HG2      GLU 102 -12.413   1.940  15.341
  839   2HG   GLU 102           HG3      GLU 102 -12.539   0.734  14.064
  840    H    ASN 103           H        ASN 103  -9.299   1.032  14.111
  841    HA   ASN 103           HA       ASN 103  -9.993  -0.626  11.885
  842   1HB   ASN 103           HB2      ASN 103  -8.015   1.611  12.236
  843   2HB   ASN 103           HB3      ASN 103  -8.270   0.776  10.703
  844   1HD2  ASN 103          1HD2      ASN 103  -9.407   2.044   9.451
  845   2HD2  ASN 103          2HD2      ASN 103 -10.828   2.907   9.904
  846    H    GLU 104           H        GLU 104  -8.792  -2.169  10.850
  847    HA   GLU 104           HA       GLU 104  -7.018  -3.748  12.302
  848   1HB   GLU 104           HB2      GLU 104  -8.406  -4.095  10.033
  849   2HB   GLU 104           HB3      GLU 104  -6.822  -3.785   9.340
  850   1HG   GLU 104           HG2      GLU 104  -5.890  -5.674  10.292
  851   2HG   GLU 104           HG3      GLU 104  -7.155  -5.807  11.512
  852    H    ARG 105           H        ARG 105  -4.753  -4.262  11.727
  853    HA   ARG 105           HA       ARG 105  -3.265  -1.899  10.789
  854   1HB   ARG 105           HB2      ARG 105  -3.227  -2.023  13.267
  855   2HB   ARG 105           HB3      ARG 105  -2.523  -3.629  13.159
  856   1HG   ARG 105           HG2      ARG 105  -0.619  -2.408  13.482
  857   2HG   ARG 105           HG3      ARG 105  -0.720  -2.353  11.716
  858   1HD   ARG 105           HD2      ARG 105  -1.612  -0.172  11.716
  859   2HD   ARG 105           HD3      ARG 105  -1.946  -0.232  13.449
  860    HE   ARG 105           HE       ARG 105   0.783  -0.575  13.156
  861   1HH1  ARG 105          1HH1      ARG 105  -1.590   1.879  12.446
  862   2HH1  ARG 105          2HH1      ARG 105  -0.474   3.192  12.627
  863   1HH2  ARG 105          1HH2      ARG 105   2.256   1.150  13.396
  864   2HH2  ARG 105          2HH2      ARG 105   1.711   2.778  13.167
  865    H    TYR 106           H        TYR 106  -1.096  -2.354  10.052
  866    HA   TYR 106           HA       TYR 106  -0.007  -4.922   9.766
  867   1HB   TYR 106           HB2      TYR 106  -1.897  -5.219   8.184
  868   2HB   TYR 106           HB3      TYR 106  -1.283  -3.866   7.233
  869    HD1  TYR 106           HD1      TYR 106   0.474  -4.180   5.668
  870    HD2  TYR 106           HD2      TYR 106  -0.527  -7.304   8.375
  871    HE1  TYR 106           HE1      TYR 106   1.905  -5.726   4.401
  872    HE2  TYR 106           HE2      TYR 106   0.902  -8.859   7.117
  873    HH   TYR 106           HH       TYR 106   3.124  -7.827   4.771
  874    H    THR 107           H        THR 107   1.499  -3.326  10.672
  875    HA   THR 107           HA       THR 107   2.694  -1.481   8.764
  876    HB   THR 107           HB       THR 107   3.573  -1.971  11.609
  877    HG1  THR 107           HG1      THR 107   2.196   0.010  11.916
  878   1HG2  THR 107          3HG2      THR 107   3.831   0.410   9.772
  879   2HG2  THR 107          2HG2      THR 107   4.398   0.329  11.441
  880   3HG2  THR 107          1HG2      THR 107   5.123  -0.706  10.211
  881    H    LEU 108           H        LEU 108   3.828  -2.685   7.299
  882    HA   LEU 108           HA       LEU 108   5.520  -4.860   8.079
  883   1HB   LEU 108           HB2      LEU 108   4.501  -4.927   5.914
  884   2HB   LEU 108           HB3      LEU 108   5.183  -3.377   5.481
  885    HG   LEU 108           HG       LEU 108   7.414  -4.326   5.397
  886   1HD1  LEU 108          2HD1      LEU 108   7.200  -5.947   7.202
  887   2HD1  LEU 108          1HD1      LEU 108   6.112  -6.920   6.211
  888   3HD1  LEU 108          3HD1      LEU 108   7.796  -6.715   5.731
  889   1HD2  LEU 108          3HD2      LEU 108   6.017  -4.471   3.395
  890   2HD2  LEU 108          2HD2      LEU 108   7.144  -5.823   3.506
  891   3HD2  LEU 108          1HD2      LEU 108   5.444  -6.055   3.915
  892    H    HIS 109           H        HIS 109   7.026  -4.087   9.526
  893    HA   HIS 109           HA       HIS 109   8.672  -1.815   8.921
  894   1HB   HIS 109           HB2      HIS 109   8.540  -3.813  11.117
  895   2HB   HIS 109           HB3      HIS 109   9.999  -2.850  10.928
  896    HD1  HIS 109           HD1      HIS 109   9.929  -0.473  11.761
  897    HD2  HIS 109           HD2      HIS 109   6.191  -2.288  11.725
  898    HE1  HIS 109           HE1      HIS 109   8.399   1.115  12.972
  899    HE2  HIS 109           HE2      HIS 109   6.124   0.036  12.859
  900    H    LEU 110           H        LEU 110  10.688  -1.762   8.135
  901    HA   LEU 110           HA       LEU 110  12.087  -4.238   7.505
  902   1HB   LEU 110           HB2      LEU 110  11.304  -2.160   5.462
  903   2HB   LEU 110           HB3      LEU 110  12.487  -3.415   5.172
  904    HG   LEU 110           HG       LEU 110   9.562  -3.870   5.776
  905   1HD1  LEU 110          3HD1      LEU 110  11.145  -3.981   3.215
  906   2HD1  LEU 110          2HD1      LEU 110   9.530  -4.668   3.404
  907   3HD1  LEU 110          1HD1      LEU 110   9.779  -2.932   3.595
  908   1HD2  LEU 110          2HD2      LEU 110  11.071  -5.668   6.580
  909   2HD2  LEU 110          1HD2      LEU 110   9.976  -6.188   5.298
  910   3HD2  LEU 110          3HD2      LEU 110  11.667  -5.853   4.931
  911    H    ASN 111           H        ASN 111  14.026  -3.930   8.398
  912    HA   ASN 111           HA       ASN 111  15.185  -1.275   8.556
  913   1HB   ASN 111           HB2      ASN 111  15.342  -2.823  10.485
  914   2HB   ASN 111           HB3      ASN 111  16.298  -3.928   9.502
  915   1HD2  ASN 111          1HD2      ASN 111  18.402  -3.346   8.914
  916   2HD2  ASN 111          2HD2      ASN 111  19.273  -2.118   9.760
  917    H    VAL 112           H        VAL 112  15.532  -0.861   6.357
  918    HA   VAL 112           HA       VAL 112  16.793  -2.511   4.517
  919    HB   VAL 112           HB       VAL 112  17.090   0.493   4.580
  920   1HG1  VAL 112          2HG1      VAL 112  18.425  -0.676   2.898
  921   2HG1  VAL 112          1HG1      VAL 112  16.971  -1.468   2.294
  922   3HG1  VAL 112          3HG1      VAL 112  17.144   0.280   2.152
  923   1HG2  VAL 112          1HG2      VAL 112  14.771  -1.143   3.562
  924   2HG2  VAL 112          3HG2      VAL 112  14.752  -0.047   4.943
  925   3HG2  VAL 112          2HG2      VAL 112  14.986   0.587   3.316
  926    H    LYS 113           H        LYS 113  18.802  -3.256   4.348
  927    HA   LYS 113           HA       LYS 113  20.841  -2.448   6.183
  928   1HB   LYS 113           HB2      LYS 113  20.973  -4.297   3.796
  929   2HB   LYS 113           HB3      LYS 113  22.225  -4.123   5.015
  930   1HG   LYS 113           HG2      LYS 113  19.422  -5.094   5.529
  931   2HG   LYS 113           HG3      LYS 113  20.845  -6.121   5.357
  932   1HD   LYS 113           HD2      LYS 113  20.730  -3.939   7.415
  933   2HD   LYS 113           HD3      LYS 113  20.053  -5.537   7.730
  934   1HE   LYS 113           HE2      LYS 113  22.276  -5.495   8.600
  935   2HE   LYS 113           HE3      LYS 113  22.273  -6.515   7.162
  936   1HZ   LYS 113           HZ3      LYS 113  23.103  -3.667   7.159
  937   2HZ   LYS 113           HZ2      LYS 113  24.181  -4.961   7.315
  938   3HZ   LYS 113           HZ1      LYS 113  23.274  -4.785   5.900

  No H/Q in entry =         938
  Start of MODEL   19
    1    H1   GLY  -2           HT3      GLY  -2 -19.066 -19.115  21.278
    2    H2   GLY  -2           HT2      GLY  -2 -17.383 -19.149  21.442
    3    H3   GLY  -2           HT1      GLY  -2 -18.363 -19.808  22.652
    4   1HA   GLY  -2           HA2      GLY  -2 -17.504 -17.668  23.347
    5   2HA   GLY  -2           HA3      GLY  -2 -19.252 -17.635  23.180
    6    H    SER  -1           H        SER  -1 -20.124 -16.766  21.146
    7    HA   SER  -1           HA       SER  -1 -18.416 -14.585  20.157
    8   1HB   SER  -1           HB2      SER  -1 -20.281 -16.292  18.487
    9   2HB   SER  -1           HB3      SER  -1 -19.406 -14.874  17.908
   10    HG   SER  -1           HG       SER  -1 -17.459 -16.046  18.580
   11    H    HIS   0           H        HIS   0 -20.960 -15.214  21.970
   12    HA   HIS   0           HA       HIS   0 -23.070 -13.682  20.910
   13   1HB   HIS   0           HB2      HIS   0 -23.359 -15.276  22.764
   14   2HB   HIS   0           HB3      HIS   0 -22.399 -14.234  23.808
   15    HD1  HIS   0           HD1      HIS   0 -23.600 -12.374  24.991
   16    HD2  HIS   0           HD2      HIS   0 -25.913 -14.142  22.027
   17    HE1  HIS   0           HE1      HIS   0 -25.903 -11.403  25.267
   18    HE2  HIS   0           HE2      HIS   0 -27.305 -12.552  23.518
   19    H    MET   1           H        MET   1 -20.180 -12.816  22.656
   20    HA   MET   1           HA       MET   1 -21.013 -10.168  23.336
   21   1HB   MET   1           HB2      MET   1 -18.242 -11.366  23.169
   22   2HB   MET   1           HB3      MET   1 -18.630  -9.808  23.883
   23   1HG   MET   1           HG2      MET   1 -19.609 -12.487  24.844
   24   2HG   MET   1           HG3      MET   1 -18.334 -11.518  25.583
   25   1HE   MET   1           HE2      MET   1 -20.842 -12.654  27.194
   26   2HE   MET   1           HE1      MET   1 -19.569 -11.684  27.934
   27   3HE   MET   1           HE3      MET   1 -21.262 -11.253  28.178
   28    H    ILE   2           H        ILE   2 -19.806  -8.225  22.538
   29    HA   ILE   2           HA       ILE   2 -19.661  -8.335  19.609
   30    HB   ILE   2           HB       ILE   2 -19.895  -5.882  19.684
   31   1HG1  ILE   2          2HG1      ILE   2 -20.268  -6.270  22.663
   32   2HG1  ILE   2          3HG1      ILE   2 -18.840  -5.563  21.914
   33   1HG2  ILE   2          3HG2      ILE   2 -21.872  -7.287  19.474
   34   2HG2  ILE   2          2HG2      ILE   2 -22.011  -7.376  21.229
   35   3HG2  ILE   2          1HG2      ILE   2 -22.235  -5.833  20.404
   36   1HD1  ILE   2          3HD1      ILE   2 -20.202  -3.738  21.042
   37   2HD1  ILE   2          2HD1      ILE   2 -21.630  -4.445  21.798
   38   3HD1  ILE   2          1HD1      ILE   2 -20.305  -3.849  22.798
   39    H    ALA   3           H        ALA   3 -17.645  -8.321  22.257
   40    HA   ALA   3           HA       ALA   3 -15.575  -6.613  21.222
   41   1HB   ALA   3           HB3      ALA   3 -15.876  -6.920  23.633
   42   2HB   ALA   3           HB1      ALA   3 -14.258  -7.397  23.116
   43   3HB   ALA   3           HB2      ALA   3 -15.471  -8.629  23.464
   44    HA   PRO   4           HA       PRO   4 -13.418  -9.331  18.501
   45   1HB   PRO   4           HB2      PRO   4 -10.939  -8.528  19.936
   46   2HB   PRO   4           HB3      PRO   4 -11.315  -8.452  18.212
   47   1HG   PRO   4           HG2      PRO   4 -11.301  -6.242  19.694
   48   2HG   PRO   4           HG3      PRO   4 -12.526  -6.482  18.434
   49   1HD   PRO   4           HD2      PRO   4 -12.775  -6.757  21.401
   50   2HD   PRO   4           HD3      PRO   4 -13.936  -6.105  20.227
   51    H    LEU   5           H        LEU   5 -12.398 -11.350  18.427
   52    HA   LEU   5           HA       LEU   5 -12.262 -12.726  21.019
   53   1HB   LEU   5           HB2      LEU   5 -12.716 -13.740  18.219
   54   2HB   LEU   5           HB3      LEU   5 -12.372 -14.810  19.563
   55    HG   LEU   5           HG       LEU   5 -14.749 -14.769  19.149
   56   1HD1  LEU   5          2HD1      LEU   5 -14.031 -14.973  21.467
   57   2HD1  LEU   5          1HD1      LEU   5 -14.071 -13.219  21.642
   58   3HD1  LEU   5          3HD1      LEU   5 -15.564 -14.110  21.350
   59   1HD2  LEU   5          2HD2      LEU   5 -14.869 -12.580  18.053
   60   2HD2  LEU   5          1HD2      LEU   5 -16.078 -12.750  19.326
   61   3HD2  LEU   5          3HD2      LEU   5 -14.623 -11.794  19.612
   62    H    SER   6           H        SER   6 -10.698 -13.191  17.848
   63    HA   SER   6           HA       SER   6  -8.288 -14.130  19.130
   64   1HB   SER   6           HB2      SER   6  -7.467 -14.460  16.823
   65   2HB   SER   6           HB3      SER   6  -9.053 -15.193  17.062
   66    HG   SER   6           HG       SER   6  -9.444 -12.704  16.266
   67    H    VAL   7           H        VAL   7  -6.152 -13.265  18.088
   68    HA   VAL   7           HA       VAL   7  -5.981 -10.488  18.825
   69    HB   VAL   7           HB       VAL   7  -3.784 -12.187  17.645
   70   1HG1  VAL   7          1HG1      VAL   7  -3.346  -9.781  17.734
   71   2HG1  VAL   7          3HG1      VAL   7  -3.703  -9.780  19.461
   72   3HG1  VAL   7          2HG1      VAL   7  -2.308 -10.669  18.849
   73   1HG2  VAL   7          1HG2      VAL   7  -4.598 -11.918  20.538
   74   2HG2  VAL   7          3HG2      VAL   7  -4.740 -13.369  19.544
   75   3HG2  VAL   7          2HG2      VAL   7  -3.146 -12.731  19.952
   76    H    LYS   8           H        LYS   8  -5.323  -8.766  17.506
   77    HA   LYS   8           HA       LYS   8  -5.962  -9.128  14.674
   78   1HB   LYS   8           HB2      LYS   8  -5.901  -6.745  16.501
   79   2HB   LYS   8           HB3      LYS   8  -5.926  -6.565  14.761
   80   1HG   LYS   8           HG2      LYS   8  -8.164  -6.369  15.638
   81   2HG   LYS   8           HG3      LYS   8  -8.030  -7.844  14.678
   82   1HD   LYS   8           HD2      LYS   8  -9.247  -8.375  16.666
   83   2HD   LYS   8           HD3      LYS   8  -7.642  -9.100  16.803
   84   1HE   LYS   8           HE2      LYS   8  -6.929  -7.149  18.156
   85   2HE   LYS   8           HE3      LYS   8  -8.585  -6.545  18.096
   86   1HZ   LYS   8           HZ1      LYS   8  -9.308  -8.587  19.202
   87   2HZ   LYS   8           HZ3      LYS   8  -7.702  -9.111  19.303
   88   3HZ   LYS   8           HZ2      LYS   8  -8.196  -7.729  20.144
   89    H    ASP   9           H        ASP   9  -3.390  -9.693  16.166
   90    HA   ASP   9           HA       ASP   9  -1.289  -8.084  15.760
   91   1HB   ASP   9           HB2      ASP   9  -1.066 -10.380  16.596
   92   2HB   ASP   9           HB3      ASP   9  -1.363 -11.007  14.978
   93    H    ASN  10           H        ASN  10  -0.192  -7.141  14.125
   94    HA   ASN  10           HA       ASN  10  -1.323  -7.365  11.478
   95   1HB   ASN  10           HB2      ASN  10   0.450  -5.526  11.041
   96   2HB   ASN  10           HB3      ASN  10  -0.974  -5.141  11.994
   97   1HD2  ASN  10          1HD2      ASN  10  -0.791  -4.890  14.226
   98   2HD2  ASN  10          2HD2      ASN  10   0.729  -4.570  14.979
   99    H    ASP  11           H        ASP  11   2.082  -6.828  12.116
  100    HA   ASP  11           HA       ASP  11   2.770  -9.350  10.834
  101   1HB   ASP  11           HB2      ASP  11   2.502  -7.547   9.071
  102   2HB   ASP  11           HB3      ASP  11   3.899  -6.755   9.792
  103    H    LYS  12           H        LYS  12   5.472  -7.614  10.462
  104    HA   LYS  12           HA       LYS  12   6.427  -7.484  13.165
  105   1HB   LYS  12           HB2      LYS  12   6.569  -9.849  12.934
  106   2HB   LYS  12           HB3      LYS  12   7.197  -9.724  11.297
  107   1HG   LYS  12           HG2      LYS  12   8.981 -10.386  12.700
  108   2HG   LYS  12           HG3      LYS  12   9.249  -8.703  12.242
  109   1HD   LYS  12           HD2      LYS  12   8.311  -7.988  14.405
  110   2HD   LYS  12           HD3      LYS  12   8.108  -9.682  14.859
  111   1HE   LYS  12           HE2      LYS  12  10.522 -10.020  14.673
  112   2HE   LYS  12           HE3      LYS  12  10.726  -8.330  14.213
  113   1HZ   LYS  12           HZ2      LYS  12   9.850  -7.679  16.371
  114   2HZ   LYS  12           HZ1      LYS  12   9.662  -9.301  16.811
  115   3HZ   LYS  12           HZ3      LYS  12  11.210  -8.668  16.551
  116    H    TRP  13           H        TRP  13   8.890  -7.023  13.111
  117    HA   TRP  13           HA       TRP  13   9.586  -5.468  10.722
  118   1HB   TRP  13           HB2      TRP  13  10.403  -4.924  13.582
  119   2HB   TRP  13           HB3      TRP  13  10.686  -3.896  12.186
  120    HD1  TRP  13           HD1      TRP  13   7.995  -3.554  10.867
  121    HE1  TRP  13           HE1      TRP  13   5.980  -2.483  12.053
  122    HE3  TRP  13           HE3      TRP  13   9.431  -4.268  15.720
  123    HZ2  TRP  13           HZ2      TRP  13   5.098  -2.015  14.686
  124    HZ3  TRP  13           HZ3      TRP  13   7.943  -3.481  17.515
  125    HH2  TRP  13           HH2      TRP  13   5.824  -2.377  17.009
  126    H    VAL  14           H        VAL  14  11.435  -6.142   9.670
  127    HA   VAL  14           HA       VAL  14  13.599  -7.363  11.197
  128    HB   VAL  14           HB       VAL  14  13.685  -9.443  10.167
  129   1HG1  VAL  14          3HG1      VAL  14  11.882  -9.378  11.789
  130   2HG1  VAL  14          2HG1      VAL  14  10.745  -8.899  10.529
  131   3HG1  VAL  14          1HG1      VAL  14  11.498 -10.492  10.477
  132   1HG2  VAL  14          2HG2      VAL  14  11.793  -8.356   8.100
  133   2HG2  VAL  14          1HG2      VAL  14  13.454  -8.899   7.881
  134   3HG2  VAL  14          3HG2      VAL  14  12.185 -10.068   8.241
  135    H    ASP  15           H        ASP  15  15.511  -7.711   9.970
  136    HA   ASP  15           HA       ASP  15  16.312  -5.578   8.445
  137   1HB   ASP  15           HB2      ASP  15  17.308  -8.387   8.712
  138   2HB   ASP  15           HB3      ASP  15  18.120  -7.247   7.635
  139    H    THR  16           H        THR  16  17.169  -5.705   6.138
  140    HA   THR  16           HA       THR  16  16.011  -7.450   4.252
  141    HB   THR  16           HB       THR  16  13.982  -6.070   5.023
  142    HG1  THR  16           HG1      THR  16  13.214  -6.681   3.145
  143   1HG2  THR  16          1HG2      THR  16  15.093  -3.875   4.995
  144   2HG2  THR  16          3HG2      THR  16  15.295  -4.010   3.247
  145   3HG2  THR  16          2HG2      THR  16  13.678  -3.911   3.943
  146    H    HIS  17           H        HIS  17  15.899  -6.071   1.979
  147    HA   HIS  17           HA       HIS  17  18.558  -4.826   1.784
  148   1HB   HIS  17           HB2      HIS  17  16.966  -6.542  -0.087
  149   2HB   HIS  17           HB3      HIS  17  18.188  -5.452  -0.732
  150    HD1  HIS  17           HD1      HIS  17  17.753  -8.735   0.817
  151    HD2  HIS  17           HD2      HIS  17  20.864  -6.040   0.246
  152    HE1  HIS  17           HE1      HIS  17  19.861 -10.047   1.215
  153    HE2  HIS  17           HE2      HIS  17  21.726  -8.372   0.955
  154    H    VAL  18           H        VAL  18  18.363  -3.651  -0.695
  155    HA   VAL  18           HA       VAL  18  16.478  -1.474  -0.121
  156    HB   VAL  18           HB       VAL  18  18.831  -0.824  -0.297
  157   1HG1  VAL  18          1HG1      VAL  18  19.600  -2.544  -1.835
  158   2HG1  VAL  18          3HG1      VAL  18  18.639  -1.834  -3.132
  159   3HG1  VAL  18          2HG1      VAL  18  19.998  -0.940  -2.450
  160   1HG2  VAL  18          3HG2      VAL  18  17.116   0.785  -0.921
  161   2HG2  VAL  18          2HG2      VAL  18  18.557   0.993  -1.918
  162   3HG2  VAL  18          1HG2      VAL  18  17.137   0.184  -2.579
  163    H    GLY  19           H        GLY  19  14.958  -0.812  -1.511
  164   1HA   GLY  19           HA3      GLY  19  14.806  -1.248  -4.256
  165   2HA   GLY  19           HA2      GLY  19  13.441  -0.905  -3.213
  166    H    LYS  20           H        LYS  20  14.273  -3.508  -1.729
  167    HA   LYS  20           HA       LYS  20  13.811  -5.623  -3.540
  168   1HB   LYS  20           HB2      LYS  20  14.597  -5.470  -0.935
  169   2HB   LYS  20           HB3      LYS  20  12.954  -6.044  -0.752
  170   1HG   LYS  20           HG2      LYS  20  14.194  -7.990  -0.855
  171   2HG   LYS  20           HG3      LYS  20  13.593  -7.805  -2.508
  172   1HD   LYS  20           HD2      LYS  20  15.657  -7.048  -3.295
  173   2HD   LYS  20           HD3      LYS  20  16.219  -6.666  -1.671
  174   1HE   LYS  20           HE2      LYS  20  17.323  -8.668  -2.545
  175   2HE   LYS  20           HE3      LYS  20  16.330  -9.047  -1.138
  176   1HZ   LYS  20           HZ1      LYS  20  14.598  -9.847  -2.622
  177   2HZ   LYS  20           HZ3      LYS  20  15.552  -9.483  -3.972
  178   3HZ   LYS  20           HZ2      LYS  20  16.044 -10.684  -2.887
  179    H    THR  21           H        THR  21  12.056  -4.772  -4.756
  180    HA   THR  21           HA       THR  21   9.608  -3.914  -3.962
  181    HB   THR  21           HB       THR  21   9.872  -5.900  -6.208
  182    HG1  THR  21           HG1      THR  21  10.979  -4.464  -7.335
  183   1HG2  THR  21          3HG2      THR  21   7.618  -5.094  -5.682
  184   2HG2  THR  21          2HG2      THR  21   8.174  -3.428  -5.837
  185   3HG2  THR  21          1HG2      THR  21   8.160  -4.488  -7.247
  186    H    THR  22           H        THR  22   8.582  -4.765  -2.248
  187    HA   THR  22           HA       THR  22   8.120  -7.657  -2.167
  188    HB   THR  22           HB       THR  22   7.560  -5.570  -0.046
  189    HG1  THR  22           HG1      THR  22   9.634  -5.784   0.306
  190   1HG2  THR  22          3HG2      THR  22   7.486  -8.588   0.081
  191   2HG2  THR  22          2HG2      THR  22   7.276  -7.497   1.451
  192   3HG2  THR  22          1HG2      THR  22   6.091  -7.511   0.145
  193    H    GLU  23           H        GLU  23   6.465  -8.147  -3.437
  194    HA   GLU  23           HA       GLU  23   4.131  -6.508  -3.669
  195   1HB   GLU  23           HB2      GLU  23   5.031  -7.811  -5.554
  196   2HB   GLU  23           HB3      GLU  23   4.715  -9.297  -4.671
  197   1HG   GLU  23           HG2      GLU  23   2.368  -8.964  -4.784
  198   2HG   GLU  23           HG3      GLU  23   2.584  -7.324  -5.397
  199    H    ILE  24           H        ILE  24   2.353  -6.626  -2.481
  200    HA   ILE  24           HA       ILE  24   1.870  -9.064  -0.914
  201    HB   ILE  24           HB       ILE  24   1.457  -6.254   0.073
  202   1HG1  ILE  24          2HG1      ILE  24   3.539  -8.309   0.832
  203   2HG1  ILE  24          3HG1      ILE  24   3.837  -6.817  -0.052
  204   1HG2  ILE  24          1HG2      ILE  24  -0.170  -7.866   0.939
  205   2HG2  ILE  24          3HG2      ILE  24   1.150  -8.899   1.488
  206   3HG2  ILE  24          2HG2      ILE  24   0.921  -7.304   2.207
  207   1HD1  ILE  24          2HD1      ILE  24   3.150  -5.527   1.906
  208   2HD1  ILE  24          1HD1      ILE  24   2.885  -7.029   2.793
  209   3HD1  ILE  24          3HD1      ILE  24   4.508  -6.596   2.258
  210    H    HIS  25           H        HIS  25   0.155  -9.895  -1.917
  211    HA   HIS  25           HA       HIS  25  -2.040  -8.221  -2.792
  212   1HB   HIS  25           HB2      HIS  25  -2.084 -11.221  -2.744
  213   2HB   HIS  25           HB3      HIS  25  -2.900 -10.126  -3.847
  214    HD1  HIS  25           HD1      HIS  25  -0.117 -12.345  -3.725
  215    HD2  HIS  25           HD2      HIS  25  -0.881  -8.696  -5.558
  216    HE1  HIS  25           HE1      HIS  25   1.569 -12.161  -5.581
  217    HE2  HIS  25           HE2      HIS  25   1.007 -10.001  -6.751
  218    H    LEU  26           H        LEU  26  -3.043  -7.413  -1.009
  219    HA   LEU  26           HA       LEU  26  -3.726  -9.189   1.200
  220   1HB   LEU  26           HB2      LEU  26  -4.225  -6.239   0.859
  221   2HB   LEU  26           HB3      LEU  26  -4.503  -7.156   2.324
  222    HG   LEU  26           HG       LEU  26  -1.761  -6.950   1.100
  223   1HD1  LEU  26          3HD1      LEU  26  -3.011  -5.079   3.109
  224   2HD1  LEU  26          2HD1      LEU  26  -1.313  -5.096   2.634
  225   3HD1  LEU  26          1HD1      LEU  26  -2.554  -4.675   1.455
  226   1HD2  LEU  26          3HD2      LEU  26  -2.256  -8.688   2.826
  227   2HD2  LEU  26          2HD2      LEU  26  -1.002  -7.537   3.288
  228   3HD2  LEU  26          1HD2      LEU  26  -2.629  -7.383   3.955
  229    H    LYS  27           H        LYS  27  -5.830  -9.625   1.830
  230    HA   LYS  27           HA       LYS  27  -7.809  -9.253  -0.298
  231   1HB   LYS  27           HB2      LYS  27  -8.099 -11.092   2.062
  232   2HB   LYS  27           HB3      LYS  27  -8.955 -11.146   0.530
  233   1HG   LYS  27           HG2      LYS  27  -6.793 -11.692  -0.585
  234   2HG   LYS  27           HG3      LYS  27  -6.062 -11.813   1.018
  235   1HD   LYS  27           HD2      LYS  27  -6.656 -14.019   0.278
  236   2HD   LYS  27           HD3      LYS  27  -7.736 -13.555   1.595
  237   1HE   LYS  27           HE2      LYS  27  -8.964 -14.652  -0.206
  238   2HE   LYS  27           HE3      LYS  27  -9.469 -12.973  -0.021
  239   1HZ   LYS  27           HZ2      LYS  27  -7.576 -13.988  -2.071
  240   2HZ   LYS  27           HZ1      LYS  27  -9.191 -13.566  -2.345
  241   3HZ   LYS  27           HZ3      LYS  27  -8.070 -12.380  -1.896
  242    H    GLY  28           H        GLY  28 -10.073  -8.925   0.394
  243   1HA   GLY  28           HA3      GLY  28 -10.279  -6.571   1.933
  244   2HA   GLY  28           HA2      GLY  28 -10.797  -7.938   2.905
  245    H    ASN  29           H        ASN  29 -12.168  -5.547   1.580
  246    HA   ASN  29           HA       ASN  29 -13.902  -6.490  -0.426
  247   1HB   ASN  29           HB2      ASN  29 -14.617  -7.885   1.608
  248   2HB   ASN  29           HB3      ASN  29 -15.254  -6.381   2.267
  249   1HD2  ASN  29          1HD2      ASN  29 -17.010  -5.387   1.257
  250   2HD2  ASN  29          2HD2      ASN  29 -18.035  -6.246   0.165
  251    HA   PRO  30           HA       PRO  30 -13.629  -1.904  -0.030
  252   1HB   PRO  30           HB2      PRO  30 -14.832  -2.298  -2.730
  253   2HB   PRO  30           HB3      PRO  30 -13.536  -1.209  -2.224
  254   1HG   PRO  30           HG2      PRO  30 -12.984  -3.438  -3.565
  255   2HG   PRO  30           HG3      PRO  30 -11.941  -2.900  -2.235
  256   1HD   PRO  30           HD2      PRO  30 -13.953  -5.098  -2.298
  257   2HD   PRO  30           HD3      PRO  30 -12.403  -5.011  -1.443
  258    H    THR  31           H        THR  31 -16.323  -3.943  -1.044
  259    HA   THR  31           HA       THR  31 -18.365  -2.062  -1.068
  260    HB   THR  31           HB       THR  31 -18.932  -4.790   0.001
  261    HG1  THR  31           HG1      THR  31 -17.551  -4.231  -2.331
  262   1HG2  THR  31          2HG2      THR  31 -20.180  -3.075  -2.143
  263   2HG2  THR  31          1HG2      THR  31 -20.797  -4.628  -1.579
  264   3HG2  THR  31          3HG2      THR  31 -20.760  -3.246  -0.486
  265    H    THR  32           H        THR  32 -16.783  -3.624   1.639
  266    HA   THR  32           HA       THR  32 -18.709  -3.187   3.623
  267    HB   THR  32           HB       THR  32 -16.848  -3.280   5.251
  268    HG1  THR  32           HG1      THR  32 -14.749  -3.339   4.550
  269   1HG2  THR  32          1HG2      THR  32 -17.827  -5.349   4.300
  270   2HG2  THR  32          3HG2      THR  32 -16.572  -5.340   3.061
  271   3HG2  THR  32          2HG2      THR  32 -16.134  -5.539   4.757
  272    H    GLY  33           H        GLY  33 -15.742  -1.247   3.149
  273   1HA   GLY  33           HA3      GLY  33 -16.927   0.953   4.610
  274   2HA   GLY  33           HA2      GLY  33 -16.720   1.252   2.892
  275    H    TYR  34           H        TYR  34 -14.563  -0.607   4.991
  276    HA   TYR  34           HA       TYR  34 -12.677   1.544   5.238
  277   1HB   TYR  34           HB2      TYR  34 -12.485  -1.387   5.942
  278   2HB   TYR  34           HB3      TYR  34 -11.215  -0.214   6.273
  279    HD1  TYR  34           HD1      TYR  34 -14.672  -1.200   7.104
  280    HD2  TYR  34           HD2      TYR  34 -11.366   1.284   8.138
  281    HE1  TYR  34           HE1      TYR  34 -15.757  -0.651   9.240
  282    HE2  TYR  34           HE2      TYR  34 -12.448   1.833  10.275
  283    HH   TYR  34           HH       TYR  34 -14.709   1.878  11.241
  284    H    MET  35           H        MET  35 -10.249   0.735   4.796
  285    HA   MET  35           HA       MET  35  -9.957  -0.533   2.217
  286   1HB   MET  35           HB2      MET  35 -10.180   1.557   1.279
  287   2HB   MET  35           HB3      MET  35  -9.645   2.379   2.739
  288   1HG   MET  35           HG2      MET  35  -7.343   1.637   2.265
  289   2HG   MET  35           HG3      MET  35  -7.917   0.942   0.766
  290   1HE   MET  35           HE2      MET  35 -10.108   3.059  -0.090
  291   2HE   MET  35           HE1      MET  35  -9.214   4.202  -1.093
  292   3HE   MET  35           HE3      MET  35  -8.952   2.470  -1.283
  293    H    TRP  36           H        TRP  36  -7.828  -1.186   1.819
  294    HA   TRP  36           HA       TRP  36  -6.092  -1.131   4.186
  295   1HB   TRP  36           HB2      TRP  36  -6.672  -3.129   2.128
  296   2HB   TRP  36           HB3      TRP  36  -4.958  -2.913   2.436
  297    HD1  TRP  36           HD1      TRP  36  -7.808  -4.863   3.613
  298    HE1  TRP  36           HE1      TRP  36  -7.332  -5.920   5.912
  299    HE3  TRP  36           HE3      TRP  36  -3.670  -2.159   4.912
  300    HZ2  TRP  36           HZ2      TRP  36  -5.457  -5.644   7.996
  301    HZ3  TRP  36           HZ3      TRP  36  -2.596  -2.620   7.077
  302    HH2  TRP  36           HH2      TRP  36  -3.475  -4.326   8.585
  303    H    THR  37           H        THR  37  -5.323   0.983   3.744
  304    HA   THR  37           HA       THR  37  -3.409   1.082   1.502
  305    HB   THR  37           HB       THR  37  -5.308   2.539   1.010
  306    HG1  THR  37           HG1      THR  37  -4.045   4.542   0.877
  307   1HG2  THR  37          2HG2      THR  37  -6.012   2.956   3.336
  308   2HG2  THR  37          1HG2      THR  37  -4.590   3.971   3.578
  309   3HG2  THR  37          3HG2      THR  37  -5.832   4.455   2.424
  310    H    ARG  38           H        ARG  38  -1.967   3.309   2.063
  311    HA   ARG  38           HA       ARG  38  -0.566   2.515   4.465
  312   1HB   ARG  38           HB2      ARG  38   0.036   4.207   2.114
  313   2HB   ARG  38           HB3      ARG  38   0.820   4.666   3.611
  314   1HG   ARG  38           HG2      ARG  38   1.886   2.581   3.805
  315   2HG   ARG  38           HG3      ARG  38   0.945   1.909   2.471
  316   1HD   ARG  38           HD2      ARG  38   3.325   2.656   1.985
  317   2HD   ARG  38           HD3      ARG  38   2.087   3.176   0.879
  318    HE   ARG  38           HE       ARG  38   2.245   5.366   1.853
  319   1HH1  ARG  38          1HH1      ARG  38   4.684   3.101   2.880
  320   2HH1  ARG  38          2HH1      ARG  38   5.825   4.327   3.319
  321   1HH2  ARG  38          1HH2      ARG  38   3.759   6.992   2.411
  322   2HH2  ARG  38          2HH2      ARG  38   5.299   6.535   3.055
  323    H    VAL  39           H        VAL  39  -0.062   3.885   6.214
  324    HA   VAL  39           HA       VAL  39  -2.229   5.409   7.175
  325    HB   VAL  39           HB       VAL  39   0.615   5.440   8.195
  326   1HG1  VAL  39          1HG1      VAL  39  -1.998   6.089   9.555
  327   2HG1  VAL  39          3HG1      VAL  39  -0.418   6.036  10.340
  328   3HG1  VAL  39          2HG1      VAL  39  -0.745   7.243   9.095
  329   1HG2  VAL  39          3HG2      VAL  39  -0.491   3.161   7.952
  330   2HG2  VAL  39          2HG2      VAL  39   0.127   3.585   9.550
  331   3HG2  VAL  39          1HG2      VAL  39  -1.604   3.692   9.214
  332    H    GLY  40           H        GLY  40  -2.758   7.482   6.934
  333   1HA   GLY  40           HA3      GLY  40  -0.746   9.521   6.542
  334   2HA   GLY  40           HA2      GLY  40  -2.477   9.776   6.700
  335    H    PHE  41           H        PHE  41  -2.744   7.623   4.498
  336    HA   PHE  41           HA       PHE  41  -2.463   9.526   2.288
  337   1HB   PHE  41           HB2      PHE  41  -1.631   6.624   2.130
  338   2HB   PHE  41           HB3      PHE  41  -1.554   7.804   0.826
  339    HD1  PHE  41           HD1      PHE  41  -0.109   9.899   1.258
  340    HD2  PHE  41           HD2      PHE  41   0.174   6.307   3.506
  341    HE1  PHE  41           HE1      PHE  41   2.139  10.559   2.011
  342    HE2  PHE  41           HE2      PHE  41   2.426   6.952   4.267
  343    HZ   PHE  41           HZ       PHE  41   3.410   9.084   3.520
  344    H    VAL  42           H        VAL  42  -4.392   7.655   4.073
  345    HA   VAL  42           HA       VAL  42  -6.031   6.165   2.481
  346    HB   VAL  42           HB       VAL  42  -6.402   6.290   4.861
  347   1HG1  VAL  42          3HG1      VAL  42  -5.831   8.643   5.192
  348   2HG1  VAL  42          2HG1      VAL  42  -7.333   9.123   4.404
  349   3HG1  VAL  42          1HG1      VAL  42  -7.381   8.249   5.935
  350   1HG2  VAL  42          3HG2      VAL  42  -8.757   7.242   3.246
  351   2HG2  VAL  42          2HG2      VAL  42  -8.307   5.578   3.616
  352   3HG2  VAL  42          1HG2      VAL  42  -8.876   6.643   4.900
  353    H    GLY  43           H        GLY  43  -7.270   6.532   0.758
  354   1HA   GLY  43           HA3      GLY  43  -8.621   9.088   0.432
  355   2HA   GLY  43           HA2      GLY  43  -8.869   7.646  -0.539
  356    H    LYS  44           H        LYS  44  -5.748   9.143   0.134
  357    HA   LYS  44           HA       LYS  44  -5.535  10.703  -2.174
  358   1HB   LYS  44           HB2      LYS  44  -3.361   9.346  -0.575
  359   2HB   LYS  44           HB3      LYS  44  -3.101  10.617  -1.756
  360   1HG   LYS  44           HG2      LYS  44  -4.490  12.131  -0.383
  361   2HG   LYS  44           HG3      LYS  44  -4.622  10.854   0.829
  362   1HD   LYS  44           HD2      LYS  44  -2.182  10.852   1.080
  363   2HD   LYS  44           HD3      LYS  44  -2.062  12.143  -0.116
  364   1HE   LYS  44           HE2      LYS  44  -1.924  13.033   2.148
  365   2HE   LYS  44           HE3      LYS  44  -3.373  13.612   1.328
  366   1HZ   LYS  44           HZ3      LYS  44  -4.662  11.940   2.504
  367   2HZ   LYS  44           HZ2      LYS  44  -3.271  11.388   3.293
  368   3HZ   LYS  44           HZ1      LYS  44  -3.851  12.947   3.596
  369    H    ASP  45           H        ASP  45  -3.809  10.282  -3.885
  370    HA   ASP  45           HA       ASP  45  -4.510   7.860  -5.263
  371   1HB   ASP  45           HB2      ASP  45  -2.903  10.304  -5.918
  372   2HB   ASP  45           HB3      ASP  45  -2.810   8.886  -6.948
  373    H    VAL  46           H        VAL  46  -1.387   9.358  -4.457
  374    HA   VAL  46           HA       VAL  46  -0.148   6.699  -4.483
  375    HB   VAL  46           HB       VAL  46   0.865   8.517  -5.859
  376   1HG1  VAL  46          3HG1      VAL  46   0.409  10.386  -4.358
  377   2HG1  VAL  46          2HG1      VAL  46   1.546   9.722  -3.183
  378   3HG1  VAL  46          1HG1      VAL  46   2.126  10.285  -4.751
  379   1HG2  VAL  46          1HG2      VAL  46   2.196   6.609  -5.144
  380   2HG2  VAL  46          3HG2      VAL  46   3.176   8.074  -5.169
  381   3HG2  VAL  46          2HG2      VAL  46   2.590   7.432  -3.635
  382    H    LEU  47           H        LEU  47   0.983   5.894  -2.761
  383    HA   LEU  47           HA       LEU  47   0.413   7.163  -0.181
  384   1HB   LEU  47           HB2      LEU  47   1.464   4.391  -0.478
  385   2HB   LEU  47           HB3      LEU  47   0.466   5.063   0.792
  386    HG   LEU  47           HG       LEU  47  -0.474   4.460  -2.013
  387   1HD1  LEU  47          3HD1      LEU  47  -0.918   2.979   0.574
  388   2HD1  LEU  47          2HD1      LEU  47  -1.742   2.638  -0.948
  389   3HD1  LEU  47          1HD1      LEU  47   0.002   2.413  -0.820
  390   1HD2  LEU  47          3HD2      LEU  47  -1.983   5.354   0.437
  391   2HD2  LEU  47          2HD2      LEU  47  -1.698   6.301  -1.023
  392   3HD2  LEU  47          1HD2      LEU  47  -2.712   4.859  -1.091
  393    H    SER  48           H        SER  48   2.979   5.466  -1.915
  394    HA   SER  48           HA       SER  48   5.093   5.771  -0.192
  395   1HB   SER  48           HB2      SER  48   5.187   4.488  -2.296
  396   2HB   SER  48           HB3      SER  48   5.186   5.996  -3.206
  397    HG   SER  48           HG       SER  48   7.235   6.188  -2.837
  398    H    ASP  49           H        ASP  49   7.087   7.185  -0.702
  399    HA   ASP  49           HA       ASP  49   6.558   9.863  -1.605
  400   1HB   ASP  49           HB2      ASP  49   6.861   9.265   1.327
  401   2HB   ASP  49           HB3      ASP  49   7.338  10.825   0.662
  402    H    GLU  50           H        GLU  50   8.829   8.980   0.928
  403    HA   GLU  50           HA       GLU  50  11.024   9.063  -1.022
  404   1HB   GLU  50           HB2      GLU  50  12.324  10.433   0.509
  405   2HB   GLU  50           HB3      GLU  50  10.804  11.231   0.121
  406   1HG   GLU  50           HG2      GLU  50   9.864  10.514   2.244
  407   2HG   GLU  50           HG3      GLU  50  11.368   9.685   2.641
  408    H    ILE  51           H        ILE  51   9.815   7.975   2.080
  409    HA   ILE  51           HA       ILE  51  12.111   6.541   2.904
  410    HB   ILE  51           HB       ILE  51   9.260   5.924   3.661
  411   1HG1  ILE  51          2HG1      ILE  51   9.769   8.348   3.884
  412   2HG1  ILE  51          3HG1      ILE  51   9.452   7.563   5.422
  413   1HG2  ILE  51          1HG2      ILE  51  11.875   5.523   5.104
  414   2HG2  ILE  51          3HG2      ILE  51  10.279   5.191   5.776
  415   3HG2  ILE  51          2HG2      ILE  51  10.863   4.267   4.392
  416   1HD1  ILE  51          3HD1      ILE  51  12.176   8.221   4.331
  417   2HD1  ILE  51          2HD1      ILE  51  11.308   9.141   5.560
  418   3HD1  ILE  51          1HD1      ILE  51  11.830   7.491   5.899
  419    H    LEU  52           H        LEU  52   9.012   4.983   2.225
  420    HA   LEU  52           HA       LEU  52  10.478   2.811   0.880
  421   1HB   LEU  52           HB2      LEU  52   7.754   2.848   2.185
  422   2HB   LEU  52           HB3      LEU  52   8.393   1.482   1.295
  423    HG   LEU  52           HG       LEU  52   9.612   2.616   3.810
  424   1HD1  LEU  52          1HD1      LEU  52   7.436   1.601   4.244
  425   2HD1  LEU  52          3HD1      LEU  52   7.943   0.137   3.400
  426   3HD1  LEU  52          2HD1      LEU  52   8.739   0.612   4.900
  427   1HD2  LEU  52          1HD2      LEU  52  10.240   0.133   2.223
  428   2HD2  LEU  52          3HD2      LEU  52  11.266   1.558   2.396
  429   3HD2  LEU  52          2HD2      LEU  52  10.927   0.539   3.796
  430    H    GLU  53           H        GLU  53  10.355   2.802  -1.303
  431    HA   GLU  53           HA       GLU  53   8.472   4.323  -2.765
  432   1HB   GLU  53           HB2      GLU  53  10.688   2.531  -3.351
  433   2HB   GLU  53           HB3      GLU  53   9.361   2.315  -4.484
  434   1HG   GLU  53           HG2      GLU  53  10.055   5.097  -3.939
  435   2HG   GLU  53           HG3      GLU  53  11.333   4.156  -4.706
  436    H    VAL  54           H        VAL  54   6.592   3.538  -1.528
  437    HA   VAL  54           HA       VAL  54   5.691   0.848  -1.963
  438    HB   VAL  54           HB       VAL  54   4.051   3.098  -0.836
  439   1HG1  VAL  54          1HG1      VAL  54   2.869   1.035  -1.386
  440   2HG1  VAL  54          3HG1      VAL  54   4.001   0.117  -0.393
  441   3HG1  VAL  54          2HG1      VAL  54   2.923   1.294   0.357
  442   1HG2  VAL  54          2HG2      VAL  54   6.288   1.558   0.393
  443   2HG2  VAL  54          1HG2      VAL  54   5.872   3.262   0.558
  444   3HG2  VAL  54          3HG2      VAL  54   4.917   2.036   1.390
  445    H    VAL  55           H        VAL  55   5.527   0.755  -4.242
  446    HA   VAL  55           HA       VAL  55   3.597   2.448  -5.567
  447    HB   VAL  55           HB       VAL  55   4.949  -0.031  -6.626
  448   1HG1  VAL  55          1HG1      VAL  55   2.887   0.747  -7.788
  449   2HG1  VAL  55          3HG1      VAL  55   3.704   2.275  -8.113
  450   3HG1  VAL  55          2HG1      VAL  55   4.332   0.778  -8.800
  451   1HG2  VAL  55          3HG2      VAL  55   6.617   1.620  -5.944
  452   2HG2  VAL  55          2HG2      VAL  55   6.546   1.492  -7.702
  453   3HG2  VAL  55          1HG2      VAL  55   5.787   2.858  -6.886
  454    H    CYS  56           H        CYS  56   1.765   1.991  -4.392
  455    HA   CYS  56           HA       CYS  56   0.733  -0.747  -4.474
  456   1HB   CYS  56           HB2      CYS  56   0.753   0.173  -2.258
  457   2HB   CYS  56           HB3      CYS  56  -0.055   1.639  -2.802
  458    HG   CYS  56           HG       CYS  56  -1.957   0.310  -1.370
  459    H    LYS  57           H        LYS  57  -1.326  -1.211  -5.185
  460    HA   LYS  57           HA       LYS  57  -2.796   0.877  -6.600
  461   1HB   LYS  57           HB2      LYS  57  -2.325  -1.810  -7.861
  462   2HB   LYS  57           HB3      LYS  57  -2.991  -0.367  -8.604
  463   1HG   LYS  57           HG2      LYS  57  -0.809   0.722  -8.453
  464   2HG   LYS  57           HG3      LYS  57  -0.137  -0.736  -7.719
  465   1HD   LYS  57           HD2      LYS  57  -0.685  -2.004  -9.742
  466   2HD   LYS  57           HD3      LYS  57  -1.351  -0.543 -10.475
  467   1HE   LYS  57           HE2      LYS  57   0.840   0.528 -10.343
  468   2HE   LYS  57           HE3      LYS  57   1.509  -0.923  -9.596
  469   1HZ   LYS  57           HZ3      LYS  57   0.349  -0.764 -12.326
  470   2HZ   LYS  57           HZ2      LYS  57   1.997  -0.839 -11.958
  471   3HZ   LYS  57           HZ1      LYS  57   0.994  -2.154 -11.609
  472    H    TYR  58           H        TYR  58  -4.711   0.865  -5.690
  473    HA   TYR  58           HA       TYR  58  -5.777  -1.456  -4.369
  474   1HB   TYR  58           HB2      TYR  58  -6.073   0.958  -3.603
  475   2HB   TYR  58           HB3      TYR  58  -7.216   1.144  -4.929
  476    HD1  TYR  58           HD1      TYR  58  -7.211   0.952  -1.592
  477    HD2  TYR  58           HD2      TYR  58  -8.814  -1.244  -4.889
  478    HE1  TYR  58           HE1      TYR  58  -9.039   0.109  -0.172
  479    HE2  TYR  58           HE2      TYR  58 -10.620  -2.097  -3.464
  480    HH   TYR  58           HH       TYR  58 -11.308  -0.780  -0.408
  481    H    THR  59           H        THR  59  -6.530  -3.064  -5.600
  482    HA   THR  59           HA       THR  59  -7.970  -2.411  -8.075
  483    HB   THR  59           HB       THR  59  -6.932  -5.110  -7.192
  484    HG1  THR  59           HG1      THR  59  -5.616  -2.959  -8.179
  485   1HG2  THR  59          2HG2      THR  59  -7.872  -4.094  -9.879
  486   2HG2  THR  59          1HG2      THR  59  -7.205  -5.695  -9.562
  487   3HG2  THR  59          3HG2      THR  59  -8.739  -5.219  -8.834
  488    HA   PRO  60           HA       PRO  60 -11.572  -3.949  -5.844
  489   1HB   PRO  60           HB2      PRO  60 -13.243  -2.027  -6.644
  490   2HB   PRO  60           HB3      PRO  60 -11.977  -1.686  -5.464
  491   1HG   PRO  60           HG2      PRO  60 -12.174  -0.870  -8.290
  492   2HG   PRO  60           HG3      PRO  60 -11.244  -0.141  -6.971
  493   1HD   PRO  60           HD2      PRO  60 -10.357  -1.996  -9.000
  494   2HD   PRO  60           HD3      PRO  60  -9.400  -1.146  -7.770
  495    H    THR  61           H        THR  61 -11.709  -5.855  -7.164
  496    HA   THR  61           HA       THR  61 -12.666  -5.728  -9.859
  497    HB   THR  61           HB       THR  61 -12.979  -8.295  -8.454
  498    HG1  THR  61           HG1      THR  61 -10.561  -6.845  -8.420
  499   1HG2  THR  61          3HG2      THR  61 -11.482  -7.414 -10.924
  500   2HG2  THR  61          2HG2      THR  61 -11.676  -9.086 -10.399
  501   3HG2  THR  61          1HG2      THR  61 -13.087  -8.142 -10.873
  502    HA   PRO  62           HA       PRO  62 -17.021  -5.464  -9.077
  503   1HB   PRO  62           HB2      PRO  62 -17.376  -7.023 -11.558
  504   2HB   PRO  62           HB3      PRO  62 -17.926  -5.392 -11.168
  505   1HG   PRO  62           HG2      PRO  62 -15.920  -5.814 -12.891
  506   2HG   PRO  62           HG3      PRO  62 -15.919  -4.425 -11.789
  507   1HD   PRO  62           HD2      PRO  62 -14.423  -7.011 -11.578
  508   2HD   PRO  62           HD3      PRO  62 -13.877  -5.358 -11.223
  509    H    SER  63           H        SER  63 -19.018  -6.986  -9.301
  510    HA   SER  63           HA       SER  63 -18.307  -9.742  -8.610
  511   1HB   SER  63           HB2      SER  63 -18.621  -8.526  -6.492
  512   2HB   SER  63           HB3      SER  63 -20.222  -8.013  -7.029
  513    HG   SER  63           HG       SER  63 -19.836 -10.719  -7.178
  514    H    SER  64           H        SER  64 -20.308  -7.517 -10.142
  515    HA   SER  64           HA       SER  64 -21.624  -9.370 -11.753
  516   1HB   SER  64           HB2      SER  64 -22.862 -10.009  -9.737
  517   2HB   SER  64           HB3      SER  64 -23.341  -8.332  -9.482
  518    HG   SER  64           HG       SER  64 -23.934  -9.519 -11.942
  519    H    THR  65           H        THR  65 -22.311  -6.311 -10.062
  520    HA   THR  65           HA       THR  65 -22.799  -5.074 -12.690
  521    HB   THR  65           HB       THR  65 -24.247  -3.439 -11.459
  522    HG1  THR  65           HG1      THR  65 -24.196  -5.366  -9.369
  523   1HG2  THR  65          3HG2      THR  65 -25.097  -6.333 -11.331
  524   2HG2  THR  65          2HG2      THR  65 -26.180  -4.941 -11.287
  525   3HG2  THR  65          1HG2      THR  65 -25.230  -5.275 -12.735
  526    HA   PRO  66           HA       PRO  66 -19.603  -2.179 -11.703
  527   1HB   PRO  66           HB2      PRO  66 -20.313  -0.039 -13.150
  528   2HB   PRO  66           HB3      PRO  66 -19.833  -1.553 -13.931
  529   1HG   PRO  66           HG2      PRO  66 -22.598  -0.526 -13.341
  530   2HG   PRO  66           HG3      PRO  66 -21.963  -1.182 -14.865
  531   1HD   PRO  66           HD2      PRO  66 -23.413  -2.674 -13.137
  532   2HD   PRO  66           HD3      PRO  66 -22.103  -3.368 -14.117
  533    H    MET  67           H        MET  67 -22.410  -2.085 -10.268
  534    HA   MET  67           HA       MET  67 -22.015   0.548  -9.016
  535   1HB   MET  67           HB2      MET  67 -24.536  -1.105  -9.191
  536   2HB   MET  67           HB3      MET  67 -24.391   0.434  -8.353
  537   1HG   MET  67           HG2      MET  67 -23.875   1.542 -10.462
  538   2HG   MET  67           HG3      MET  67 -24.004  -0.001 -11.305
  539   1HE   MET  67           HE1      MET  67 -25.729   1.087 -13.005
  540   2HE   MET  67           HE3      MET  67 -27.199   1.924 -12.508
  541   3HE   MET  67           HE2      MET  67 -25.622   2.629 -12.156
  542    H    VAL  68           H        VAL  68 -23.824  -2.268  -7.933
  543    HA   VAL  68           HA       VAL  68 -22.422  -2.130  -5.368
  544    HB   VAL  68           HB       VAL  68 -24.846  -2.078  -5.231
  545   1HG1  VAL  68          3HG1      VAL  68 -24.771  -4.749  -6.630
  546   2HG1  VAL  68          2HG1      VAL  68 -26.206  -3.995  -5.936
  547   3HG1  VAL  68          1HG1      VAL  68 -25.384  -3.236  -7.298
  548   1HG2  VAL  68          3HG2      VAL  68 -23.631  -3.174  -3.425
  549   2HG2  VAL  68          2HG2      VAL  68 -25.202  -3.935  -3.679
  550   3HG2  VAL  68          1HG2      VAL  68 -23.737  -4.715  -4.276
  551    H    GLY  69           H        GLY  69 -21.214  -3.770  -4.555
  552   1HA   GLY  69           HA3      GLY  69 -21.192  -6.362  -5.890
  553   2HA   GLY  69           HA2      GLY  69 -20.382  -5.959  -4.384
  554    H    VAL  70           H        VAL  70 -18.363  -4.867  -4.459
  555    HA   VAL  70           HA       VAL  70 -16.885  -5.430  -6.917
  556    HB   VAL  70           HB       VAL  70 -16.655  -2.772  -5.495
  557   1HG1  VAL  70          1HG1      VAL  70 -15.385  -3.800  -8.031
  558   2HG1  VAL  70          3HG1      VAL  70 -15.232  -2.161  -7.402
  559   3HG1  VAL  70          2HG1      VAL  70 -14.567  -3.518  -6.495
  560   1HG2  VAL  70          1HG2      VAL  70 -17.926  -3.420  -8.153
  561   2HG2  VAL  70          3HG2      VAL  70 -18.769  -2.903  -6.692
  562   3HG2  VAL  70          2HG2      VAL  70 -17.662  -1.799  -7.508
  563    H    GLY  71           H        GLY  71 -16.083  -7.186  -5.631
  564   1HA   GLY  71           HA3      GLY  71 -14.897  -8.053  -3.753
  565   2HA   GLY  71           HA2      GLY  71 -14.347  -6.426  -3.389
  566    H    GLY  72           H        GLY  72 -12.211  -6.385  -3.536
  567   1HA   GLY  72           HA3      GLY  72 -10.591  -6.246  -5.578
  568   2HA   GLY  72           HA2      GLY  72 -10.874  -7.981  -5.604
  569    H    ILE  73           H        ILE  73  -8.472  -6.148  -4.963
  570    HA   ILE  73           HA       ILE  73  -7.896  -6.990  -2.241
  571    HB   ILE  73           HB       ILE  73  -5.699  -7.903  -2.879
  572   1HG1  ILE  73          2HG1      ILE  73  -6.645  -8.280  -5.679
  573   2HG1  ILE  73          3HG1      ILE  73  -5.879  -6.759  -5.226
  574   1HG2  ILE  73          3HG2      ILE  73  -7.614  -9.355  -2.391
  575   2HG2  ILE  73          2HG2      ILE  73  -7.968  -9.423  -4.119
  576   3HG2  ILE  73          1HG2      ILE  73  -6.449 -10.081  -3.499
  577   1HD1  ILE  73          2HD1      ILE  73  -3.926  -8.026  -4.414
  578   2HD1  ILE  73          1HD1      ILE  73  -4.689  -9.511  -4.983
  579   3HD1  ILE  73          3HD1      ILE  73  -4.232  -8.256  -6.137
  580    H    TYR  74           H        TYR  74  -5.233  -6.446  -2.154
  581    HA   TYR  74           HA       TYR  74  -4.963  -3.678  -3.090
  582   1HB   TYR  74           HB2      TYR  74  -4.004  -4.475  -0.358
  583   2HB   TYR  74           HB3      TYR  74  -4.404  -2.873  -0.971
  584    HD1  TYR  74           HD1      TYR  74  -5.833  -6.049   0.269
  585    HD2  TYR  74           HD2      TYR  74  -6.638  -2.019  -0.825
  586    HE1  TYR  74           HE1      TYR  74  -8.058  -6.228   1.281
  587    HE2  TYR  74           HE2      TYR  74  -8.871  -2.196   0.194
  588    HH   TYR  74           HH       TYR  74 -10.500  -3.933   0.774
  589    H    VAL  75           H        VAL  75  -3.373  -4.002  -4.577
  590    HA   VAL  75           HA       VAL  75  -1.149  -5.778  -4.026
  591    HB   VAL  75           HB       VAL  75  -1.766  -4.038  -6.420
  592   1HG1  VAL  75          1HG1      VAL  75   0.484  -6.006  -6.011
  593   2HG1  VAL  75          3HG1      VAL  75   0.065  -5.243  -7.545
  594   3HG1  VAL  75          2HG1      VAL  75   0.638  -4.260  -6.197
  595   1HG2  VAL  75          3HG2      VAL  75  -3.260  -5.955  -6.119
  596   2HG2  VAL  75          2HG2      VAL  75  -2.234  -6.147  -7.542
  597   3HG2  VAL  75          1HG2      VAL  75  -1.862  -7.029  -6.061
  598    H    VAL  76           H        VAL  76   0.345  -5.031  -2.674
  599    HA   VAL  76           HA       VAL  76   1.190  -2.221  -2.943
  600    HB   VAL  76           HB       VAL  76   1.528  -4.013  -0.541
  601   1HG1  VAL  76          2HG1      VAL  76   2.019  -1.069  -0.958
  602   2HG1  VAL  76          1HG1      VAL  76   2.050  -1.880   0.608
  603   3HG1  VAL  76          3HG1      VAL  76   3.226  -2.312  -0.632
  604   1HG2  VAL  76          2HG2      VAL  76  -0.835  -3.517  -0.984
  605   2HG2  VAL  76          1HG2      VAL  76  -0.261  -2.728   0.486
  606   3HG2  VAL  76          3HG2      VAL  76  -0.462  -1.794  -0.996
  607    H    LEU  77           H        LEU  77   3.100  -1.883  -3.850
  608    HA   LEU  77           HA       LEU  77   5.172  -3.966  -3.650
  609   1HB   LEU  77           HB2      LEU  77   4.796  -1.736  -5.648
  610   2HB   LEU  77           HB3      LEU  77   6.250  -2.712  -5.560
  611    HG   LEU  77           HG       LEU  77   3.461  -3.712  -6.189
  612   1HD1  LEU  77          2HD1      LEU  77   4.446  -2.427  -8.008
  613   2HD1  LEU  77          1HD1      LEU  77   5.904  -3.417  -7.931
  614   3HD1  LEU  77          3HD1      LEU  77   4.370  -4.140  -8.416
  615   1HD2  LEU  77          1HD2      LEU  77   5.125  -5.237  -4.911
  616   2HD2  LEU  77          3HD2      LEU  77   4.287  -5.865  -6.331
  617   3HD2  LEU  77          2HD2      LEU  77   5.960  -5.326  -6.462
  618    H    VAL  78           H        VAL  78   6.272  -3.492  -1.823
  619    HA   VAL  78           HA       VAL  78   6.945  -0.689  -1.301
  620    HB   VAL  78           HB       VAL  78   7.891  -2.571   0.694
  621   1HG1  VAL  78          3HG1      VAL  78   7.645  -0.145   1.034
  622   2HG1  VAL  78          2HG1      VAL  78   5.897  -0.295   0.816
  623   3HG1  VAL  78          1HG1      VAL  78   6.688  -1.065   2.194
  624   1HG2  VAL  78          2HG2      VAL  78   4.958  -2.579   0.010
  625   2HG2  VAL  78          1HG2      VAL  78   6.058  -3.957   0.007
  626   3HG2  VAL  78          3HG2      VAL  78   5.628  -3.175   1.528
  627    H    LYS  79           H        LYS  79   8.714  -0.017  -2.258
  628    HA   LYS  79           HA       LYS  79  11.068  -1.781  -2.360
  629   1HB   LYS  79           HB2      LYS  79  10.088   0.427  -4.137
  630   2HB   LYS  79           HB3      LYS  79  11.799   0.026  -4.101
  631   1HG   LYS  79           HG2      LYS  79  11.288  -2.263  -4.754
  632   2HG   LYS  79           HG3      LYS  79   9.555  -1.877  -4.784
  633   1HD   LYS  79           HD2      LYS  79  11.626  -0.467  -6.469
  634   2HD   LYS  79           HD3      LYS  79  10.688  -1.855  -7.025
  635   1HE   LYS  79           HE2      LYS  79   9.550   0.776  -6.087
  636   2HE   LYS  79           HE3      LYS  79   9.706   0.265  -7.767
  637   1HZ   LYS  79           HZ1      LYS  79   8.219  -1.593  -7.285
  638   2HZ   LYS  79           HZ3      LYS  79   8.045  -1.057  -5.689
  639   3HZ   LYS  79           HZ2      LYS  79   7.473  -0.109  -6.968
  640    HA   PRO  80           HA       PRO  80  12.272   1.043   1.029
  641   1HB   PRO  80           HB2      PRO  80  14.781  -0.231   1.177
  642   2HB   PRO  80           HB3      PRO  80  13.382  -0.517   2.212
  643   1HG   PRO  80           HG2      PRO  80  14.353  -2.059  -0.123
  644   2HG   PRO  80           HG3      PRO  80  13.471  -2.615   1.309
  645   1HD   PRO  80           HD2      PRO  80  12.283  -2.379  -1.098
  646   2HD   PRO  80           HD3      PRO  80  11.415  -2.067   0.419
  647    H    ARG  81           H        ARG  81  12.685   2.999   0.201
  648    HA   ARG  81           HA       ARG  81  14.643   3.413  -1.867
  649   1HB   ARG  81           HB2      ARG  81  12.521   4.951  -0.613
  650   2HB   ARG  81           HB3      ARG  81  13.976   5.906  -0.858
  651   1HG   ARG  81           HG2      ARG  81  13.969   5.362  -3.218
  652   2HG   ARG  81           HG3      ARG  81  12.551   4.333  -2.992
  653   1HD   ARG  81           HD2      ARG  81  11.212   6.210  -2.362
  654   2HD   ARG  81           HD3      ARG  81  12.617   7.276  -2.355
  655    HE   ARG  81           HE       ARG  81  12.172   6.035  -4.898
  656   1HH1  ARG  81          1HH1      ARG  81  11.239   8.685  -2.836
  657   2HH1  ARG  81          2HH1      ARG  81  10.732   9.696  -4.147
  658   1HH2  ARG  81          1HH2      ARG  81  11.507   7.359  -6.630
  659   2HH2  ARG  81          2HH2      ARG  81  10.882   8.942  -6.304
  660    H    LYS  82           H        LYS  82  14.403   3.922   1.600
  661    HA   LYS  82           HA       LYS  82  17.156   4.962   1.626
  662   1HB   LYS  82           HB2      LYS  82  15.012   5.176   3.747
  663   2HB   LYS  82           HB3      LYS  82  16.626   5.863   3.852
  664   1HG   LYS  82           HG2      LYS  82  16.130   7.290   1.917
  665   2HG   LYS  82           HG3      LYS  82  14.496   6.624   1.864
  666   1HD   LYS  82           HD2      LYS  82  14.091   7.467   4.134
  667   2HD   LYS  82           HD3      LYS  82  15.715   8.159   4.158
  668   1HE   LYS  82           HE2      LYS  82  13.510   8.891   2.235
  669   2HE   LYS  82           HE3      LYS  82  14.027   9.847   3.623
  670   1HZ   LYS  82           HZ3      LYS  82  16.206  10.081   2.605
  671   2HZ   LYS  82           HZ2      LYS  82  15.709   9.164   1.273
  672   3HZ   LYS  82           HZ1      LYS  82  14.998  10.669   1.574
  673    H    ARG  83           H        ARG  83  18.291   4.417   3.791
  674    HA   ARG  83           HA       ARG  83  18.011   1.519   4.227
  675   1HB   ARG  83           HB2      ARG  83  20.455   3.242   4.660
  676   2HB   ARG  83           HB3      ARG  83  20.372   1.490   4.775
  677   1HG   ARG  83           HG2      ARG  83  20.033   1.267   2.435
  678   2HG   ARG  83           HG3      ARG  83  19.798   3.005   2.244
  679   1HD   ARG  83           HD2      ARG  83  22.023   2.316   1.503
  680   2HD   ARG  83           HD3      ARG  83  22.107   3.408   2.885
  681    HE   ARG  83           HE       ARG  83  22.129   0.805   3.870
  682   1HH1  ARG  83          1HH1      ARG  83  24.134   2.876   1.911
  683   2HH1  ARG  83          2HH1      ARG  83  25.612   2.106   2.383
  684   1HH2  ARG  83          1HH2      ARG  83  24.070  -0.214   4.496
  685   2HH2  ARG  83          2HH2      ARG  83  25.576   0.350   3.851
  686    H    GLY  84           H        GLY  84  18.151   0.685   6.327
  687   1HA   GLY  84           HA3      GLY  84  17.824   2.695   8.471
  688   2HA   GLY  84           HA2      GLY  84  18.662   1.170   8.708
  689    H    HIS  85           H        HIS  85  16.599   1.921  10.372
  690    HA   HIS  85           HA       HIS  85  14.864  -0.324  10.144
  691   1HB   HIS  85           HB2      HIS  85  14.686   2.069  11.989
  692   2HB   HIS  85           HB3      HIS  85  13.792   0.563  12.173
  693    HD1  HIS  85           HD1      HIS  85  17.044   2.142  12.883
  694    HD2  HIS  85           HD2      HIS  85  15.411  -1.678  12.932
  695    HE1  HIS  85           HE1      HIS  85  18.659   0.738  14.204
  696    HE2  HIS  85           HE2      HIS  85  17.689  -1.587  14.154
  697    H    HIS  86           H        HIS  86  13.465  -0.322   8.465
  698    HA   HIS  86           HA       HIS  86  11.587   1.936   8.327
  699   1HB   HIS  86           HB2      HIS  86  12.770   0.432   5.989
  700   2HB   HIS  86           HB3      HIS  86  11.471   1.613   5.868
  701    HD1  HIS  86           HD1      HIS  86  12.136   4.113   6.611
  702    HD2  HIS  86           HD2      HIS  86  15.290   1.496   5.936
  703    HE1  HIS  86           HE1      HIS  86  14.169   5.567   6.340
  704    HE2  HIS  86           HE2      HIS  86  16.049   3.966   5.840
  705    H    THR  87           H        THR  87   9.465   1.459   7.710
  706    HA   THR  87           HA       THR  87   8.699  -1.323   7.408
  707    HB   THR  87           HB       THR  87   7.860   0.342   9.780
  708    HG1  THR  87           HG1      THR  87   9.811  -0.929   9.941
  709   1HG2  THR  87          3HG2      THR  87   6.698  -2.228   8.718
  710   2HG2  THR  87          2HG2      THR  87   6.421  -1.621  10.351
  711   3HG2  THR  87          1HG2      THR  87   5.867  -0.691   8.958
  712    H    LEU  88           H        LEU  88   6.662  -1.617   6.521
  713    HA   LEU  88           HA       LEU  88   5.537   0.773   5.275
  714   1HB   LEU  88           HB2      LEU  88   5.882  -1.020   3.761
  715   2HB   LEU  88           HB3      LEU  88   5.115  -2.166   4.837
  716    HG   LEU  88           HG       LEU  88   2.958  -0.858   4.472
  717   1HD1  LEU  88          3HD1      LEU  88   3.970   1.167   3.573
  718   2HD1  LEU  88          2HD1      LEU  88   4.573   0.258   2.188
  719   3HD1  LEU  88          1HD1      LEU  88   2.837   0.457   2.424
  720   1HD2  LEU  88          2HD2      LEU  88   3.503  -3.054   3.444
  721   2HD2  LEU  88          1HD2      LEU  88   2.439  -2.047   2.462
  722   3HD2  LEU  88          3HD2      LEU  88   4.145  -2.187   2.049
  723    H    GLU  89           H        GLU  89   4.151   1.845   6.521
  724    HA   GLU  89           HA       GLU  89   2.461   0.525   8.427
  725   1HB   GLU  89           HB2      GLU  89   2.694   3.399   7.547
  726   2HB   GLU  89           HB3      GLU  89   1.607   2.849   8.814
  727   1HG   GLU  89           HG2      GLU  89   3.451   2.074  10.124
  728   2HG   GLU  89           HG3      GLU  89   4.588   2.493   8.846
  729    H    LEU  90           H        LEU  90   0.755  -0.577   7.736
  730    HA   LEU  90           HA       LEU  90  -1.004   0.693   5.739
  731   1HB   LEU  90           HB2      LEU  90  -0.441  -2.230   6.223
  732   2HB   LEU  90           HB3      LEU  90  -1.789  -1.664   5.257
  733    HG   LEU  90           HG       LEU  90   1.143  -1.248   4.658
  734   1HD1  LEU  90          2HD1      LEU  90  -0.987  -2.901   3.308
  735   2HD1  LEU  90          1HD1      LEU  90   0.646  -2.646   2.694
  736   3HD1  LEU  90          3HD1      LEU  90   0.399  -3.506   4.212
  737   1HD2  LEU  90          2HD2      LEU  90  -1.297  -0.326   3.145
  738   2HD2  LEU  90          1HD2      LEU  90  -0.123   0.702   3.966
  739   3HD2  LEU  90          3HD2      LEU  90   0.363  -0.241   2.556
  740    H    VAL  91           H        VAL  91  -3.211   0.727   6.156
  741    HA   VAL  91           HA       VAL  91  -4.135  -0.435   8.680
  742    HB   VAL  91           HB       VAL  91  -5.449   1.926   8.775
  743   1HG1  VAL  91          2HG1      VAL  91  -2.884   1.062  10.066
  744   2HG1  VAL  91          1HG1      VAL  91  -3.683   2.574  10.499
  745   3HG1  VAL  91          3HG1      VAL  91  -4.524   1.040  10.724
  746   1HG2  VAL  91          2HG2      VAL  91  -4.209   2.889   6.926
  747   2HG2  VAL  91          1HG2      VAL  91  -3.833   3.735   8.429
  748   3HG2  VAL  91          3HG2      VAL  91  -2.685   2.573   7.762
  749    H    TYR  92           H        TYR  92  -6.438  -0.401   8.946
  750    HA   TYR  92           HA       TYR  92  -7.880  -0.580   6.393
  751   1HB   TYR  92           HB2      TYR  92  -7.693  -2.519   8.171
  752   2HB   TYR  92           HB3      TYR  92  -8.954  -1.613   8.998
  753    HD1  TYR  92           HD1      TYR  92 -10.848  -2.949   8.798
  754    HD2  TYR  92           HD2      TYR  92  -8.492  -2.172   5.341
  755    HE1  TYR  92           HE1      TYR  92 -12.547  -4.048   7.400
  756    HE2  TYR  92           HE2      TYR  92 -10.185  -3.268   3.934
  757    HH   TYR  92           HH       TYR  92 -11.984  -4.929   4.175
  758    H    THR  93           H        THR  93  -8.250   1.668   6.216
  759    HA   THR  93           HA       THR  93 -10.001   2.850   8.277
  760    HB   THR  93           HB       THR  93  -7.990   4.107   8.172
  761    HG1  THR  93           HG1      THR  93 -10.181   5.224   7.868
  762   1HG2  THR  93          3HG2      THR  93  -8.361   4.144   5.176
  763   2HG2  THR  93          2HG2      THR  93  -7.115   5.027   6.058
  764   3HG2  THR  93          1HG2      THR  93  -7.119   3.263   6.065
  765    H    ARG  94           H        ARG  94 -11.504   4.543   7.471
  766    HA   ARG  94           HA       ARG  94 -12.743   3.665   4.958
  767   1HB   ARG  94           HB2      ARG  94 -13.891   5.266   7.251
  768   2HB   ARG  94           HB3      ARG  94 -14.769   4.823   5.795
  769   1HG   ARG  94           HG2      ARG  94 -14.435   2.442   6.366
  770   2HG   ARG  94           HG3      ARG  94 -13.672   2.949   7.874
  771   1HD   ARG  94           HD2      ARG  94 -16.005   2.373   8.242
  772   2HD   ARG  94           HD3      ARG  94 -15.728   4.090   8.536
  773    HE   ARG  94           HE       ARG  94 -16.536   3.862   5.900
  774   1HH1  ARG  94          1HH1      ARG  94 -17.848   3.177   9.055
  775   2HH1  ARG  94          2HH1      ARG  94 -19.490   3.440   8.571
  776   1HH2  ARG  94          1HH2      ARG  94 -18.695   4.211   5.255
  777   2HH2  ARG  94          2HH2      ARG  94 -19.971   4.028   6.411
  778    HA   PRO  95           HA       PRO  95 -10.648   7.473   3.411
  779   1HB   PRO  95           HB2      PRO  95 -12.170   6.365   1.080
  780   2HB   PRO  95           HB3      PRO  95 -10.554   7.074   1.126
  781   1HG   PRO  95           HG2      PRO  95 -10.843   4.434   1.027
  782   2HG   PRO  95           HG3      PRO  95  -9.602   5.162   2.063
  783   1HD   PRO  95           HD2      PRO  95 -12.202   3.923   2.806
  784   2HD   PRO  95           HD3      PRO  95 -10.673   3.971   3.702
  785    H    PHE  96           H        PHE  96 -13.984   6.433   3.236
  786    HA   PHE  96           HA       PHE  96 -15.047   8.902   2.331
  787   1HB   PHE  96           HB2      PHE  96 -16.345   6.550   3.714
  788   2HB   PHE  96           HB3      PHE  96 -17.201   7.868   2.939
  789    HD1  PHE  96           HD1      PHE  96 -17.621   7.861   0.628
  790    HD2  PHE  96           HD2      PHE  96 -14.886   5.064   2.306
  791    HE1  PHE  96           HE1      PHE  96 -17.540   6.658  -1.517
  792    HE2  PHE  96           HE2      PHE  96 -14.797   3.858   0.165
  793    HZ   PHE  96           HZ       PHE  96 -16.126   4.654  -1.750
  794    H    GLU  97           H        GLU  97 -14.620   7.387   5.502
  795    HA   GLU  97           HA       GLU  97 -15.669   9.810   6.790
  796   1HB   GLU  97           HB2      GLU  97 -15.092   7.081   7.961
  797   2HB   GLU  97           HB3      GLU  97 -15.763   8.444   8.846
  798   1HG   GLU  97           HG2      GLU  97 -17.054   7.042   6.514
  799   2HG   GLU  97           HG3      GLU  97 -17.486   6.848   8.213
  800    H    GLY  98           H        GLY  98 -13.132   7.441   7.596
  801   1HA   GLY  98           HA3      GLY  98 -11.583   9.453   8.959
  802   2HA   GLY  98           HA2      GLY  98 -10.862   8.939   7.438
  803    H    ILE  99           H        ILE  99  -9.286   8.491   9.386
  804    HA   ILE  99           HA       ILE  99  -9.353   5.601   9.684
  805    HB   ILE  99           HB       ILE  99  -7.126   7.398  10.582
  806   1HG1  ILE  99          2HG1      ILE  99  -7.433   6.245   7.807
  807   2HG1  ILE  99          3HG1      ILE  99  -7.846   7.912   8.206
  808   1HG2  ILE  99          2HG2      ILE  99  -7.451   4.506   9.882
  809   2HG2  ILE  99          1HG2      ILE  99  -5.869   5.278   9.749
  810   3HG2  ILE  99          3HG2      ILE  99  -6.702   5.236  11.303
  811   1HD1  ILE  99          1HD1      ILE  99  -5.513   8.283   8.891
  812   2HD1  ILE  99          3HD1      ILE  99  -5.130   6.624   8.432
  813   3HD1  ILE  99          2HD1      ILE  99  -5.647   7.781   7.206
  814    H    LYS 100           H        LYS 100  -9.267   4.519  11.619
  815    HA   LYS 100           HA       LYS 100  -9.625   6.103  14.070
  816   1HB   LYS 100           HB2      LYS 100 -11.173   3.595  13.884
  817   2HB   LYS 100           HB3      LYS 100 -11.614   5.138  14.601
  818   1HG   LYS 100           HG2      LYS 100 -11.910   6.026  12.279
  819   2HG   LYS 100           HG3      LYS 100 -11.732   4.367  11.705
  820   1HD   LYS 100           HD2      LYS 100 -13.805   3.805  12.345
  821   2HD   LYS 100           HD3      LYS 100 -13.654   4.653  13.886
  822   1HE   LYS 100           HE2      LYS 100 -15.400   5.668  12.546
  823   2HE   LYS 100           HE3      LYS 100 -14.047   6.781  12.739
  824   1HZ   LYS 100           HZ3      LYS 100 -14.572   5.103  10.345
  825   2HZ   LYS 100           HZ2      LYS 100 -14.865   6.764  10.466
  826   3HZ   LYS 100           HZ1      LYS 100 -13.280   6.180  10.531
  827    HA   PRO 101           HA       PRO 101  -6.831   3.394  16.120
  828   1HB   PRO 101           HB2      PRO 101  -8.848   2.821  18.213
  829   2HB   PRO 101           HB3      PRO 101  -7.255   3.565  18.360
  830   1HG   PRO 101           HG2      PRO 101  -9.459   5.043  18.587
  831   2HG   PRO 101           HG3      PRO 101  -8.036   5.669  17.735
  832   1HD   PRO 101           HD2      PRO 101 -10.554   4.485  16.612
  833   2HD   PRO 101           HD3      PRO 101  -9.673   5.936  16.092
  834    H    GLU 102           H        GLU 102 -10.138   2.132  16.108
  835    HA   GLU 102           HA       GLU 102  -9.498  -0.572  16.507
  836   1HB   GLU 102           HB2      GLU 102 -11.759  -1.026  15.626
  837   2HB   GLU 102           HB3      GLU 102 -11.742   0.240  16.849
  838   1HG   GLU 102           HG2      GLU 102 -11.830   1.930  15.123
  839   2HG   GLU 102           HG3      GLU 102 -11.801   0.681  13.882
  840    H    ASN 103           H        ASN 103  -8.960   1.401  13.827
  841    HA   ASN 103           HA       ASN 103  -9.386  -0.296  11.659
  842   1HB   ASN 103           HB2      ASN 103  -7.329   1.867  12.071
  843   2HB   ASN 103           HB3      ASN 103  -7.601   1.066  10.529
  844   1HD2  ASN 103          1HD2      ASN 103 -10.271   1.626  12.655
  845   2HD2  ASN 103          2HD2      ASN 103 -10.992   2.903  11.747
  846    H    GLU 104           H        GLU 104  -8.330  -1.964  10.785
  847    HA   GLU 104           HA       GLU 104  -6.508  -3.471  12.255
  848   1HB   GLU 104           HB2      GLU 104  -8.039  -3.949  10.091
  849   2HB   GLU 104           HB3      GLU 104  -6.478  -3.761   9.303
  850   1HG   GLU 104           HG2      GLU 104  -5.563  -5.583  10.407
  851   2HG   GLU 104           HG3      GLU 104  -6.810  -5.573  11.654
  852    H    ARG 105           H        ARG 105  -4.278  -4.090  11.491
  853    HA   ARG 105           HA       ARG 105  -2.852  -1.855  10.242
  854   1HB   ARG 105           HB2      ARG 105  -2.746  -1.468  12.654
  855   2HB   ARG 105           HB3      ARG 105  -2.123  -3.091  12.904
  856   1HG   ARG 105           HG2      ARG 105  -0.044  -2.394  12.606
  857   2HG   ARG 105           HG3      ARG 105  -0.460  -1.703  11.036
  858   1HD   ARG 105           HD2      ARG 105   0.412   0.029  12.466
  859   2HD   ARG 105           HD3      ARG 105  -1.304   0.311  12.165
  860    HE   ARG 105           HE       ARG 105  -1.042  -1.160  14.533
  861   1HH1  ARG 105          1HH1      ARG 105  -0.351   2.018  13.283
  862   2HH1  ARG 105          2HH1      ARG 105  -0.505   2.798  14.822
  863   1HH2  ARG 105          1HH2      ARG 105  -1.247  -0.142  16.564
  864   2HH2  ARG 105          2HH2      ARG 105  -1.014   1.570  16.687
  865    H    TYR 106           H        TYR 106  -0.718  -2.378   9.511
  866    HA   TYR 106           HA       TYR 106   0.290  -5.037   9.637
  867   1HB   TYR 106           HB2      TYR 106  -1.341  -5.493   7.970
  868   2HB   TYR 106           HB3      TYR 106  -0.872  -4.078   7.024
  869    HD1  TYR 106           HD1      TYR 106  -0.159  -7.525   7.868
  870    HD2  TYR 106           HD2      TYR 106   1.285  -4.115   5.781
  871    HE1  TYR 106           HE1      TYR 106   1.405  -8.952   6.635
  872    HE2  TYR 106           HE2      TYR 106   2.861  -5.534   4.538
  873    HH   TYR 106           HH       TYR 106   2.656  -8.922   4.515
  874    H    THR 107           H        THR 107   2.227  -4.431  10.193
  875    HA   THR 107           HA       THR 107   3.581  -2.288   8.746
  876    HB   THR 107           HB       THR 107   5.236  -2.882  10.762
  877    HG1  THR 107           HG1      THR 107   2.831  -3.223  12.118
  878   1HG2  THR 107          2HG2      THR 107   4.250  -0.680  10.315
  879   2HG2  THR 107          1HG2      THR 107   2.735  -1.217  11.041
  880   3HG2  THR 107          3HG2      THR 107   4.186  -1.070  12.034
  881    H    LEU 108           H        LEU 108   4.729  -3.034   7.026
  882    HA   LEU 108           HA       LEU 108   5.730  -5.704   6.911
  883   1HB   LEU 108           HB2      LEU 108   5.044  -4.426   4.904
  884   2HB   LEU 108           HB3      LEU 108   6.427  -3.375   5.133
  885    HG   LEU 108           HG       LEU 108   7.958  -5.191   4.704
  886   1HD1  LEU 108          3HD1      LEU 108   5.502  -6.923   4.462
  887   2HD1  LEU 108          2HD1      LEU 108   7.145  -7.419   4.059
  888   3HD1  LEU 108          1HD1      LEU 108   6.730  -7.015   5.724
  889   1HD2  LEU 108          1HD2      LEU 108   7.055  -3.962   2.786
  890   2HD2  LEU 108          3HD2      LEU 108   7.440  -5.633   2.379
  891   3HD2  LEU 108          2HD2      LEU 108   5.764  -5.154   2.641
  892    H    HIS 109           H        HIS 109   7.516  -6.498   7.594
  893    HA   HIS 109           HA       HIS 109   9.384  -5.137   9.184
  894   1HB   HIS 109           HB2      HIS 109  10.643  -7.396   8.831
  895   2HB   HIS 109           HB3      HIS 109   9.101  -7.403   9.669
  896    HD1  HIS 109           HD1      HIS 109  10.169  -7.681   6.018
  897    HD2  HIS 109           HD2      HIS 109   7.610  -9.458   8.767
  898    HE1  HIS 109           HE1      HIS 109   9.012  -9.528   4.763
  899    HE2  HIS 109           HE2      HIS 109   7.528 -10.640   6.468
  900    H    LEU 110           H        LEU 110   9.903  -3.406   7.330
  901    HA   LEU 110           HA       LEU 110  11.939  -4.497   5.518
  902   1HB   LEU 110           HB2      LEU 110  10.532  -1.836   5.418
  903   2HB   LEU 110           HB3      LEU 110  11.693  -2.423   4.248
  904    HG   LEU 110           HG       LEU 110   9.021  -3.711   4.807
  905   1HD1  LEU 110          2HD1      LEU 110   9.927  -1.896   2.580
  906   2HD1  LEU 110          1HD1      LEU 110   8.435  -2.837   2.559
  907   3HD1  LEU 110          3HD1      LEU 110   8.666  -1.580   3.773
  908   1HD2  LEU 110          2HD2      LEU 110  11.085  -4.245   2.674
  909   2HD2  LEU 110          1HD2      LEU 110  10.695  -5.299   4.033
  910   3HD2  LEU 110          3HD2      LEU 110   9.493  -4.998   2.779
  911    H    ASN 111           H        ASN 111  13.012  -4.372   7.952
  912    HA   ASN 111           HA       ASN 111  14.220  -1.859   8.553
  913   1HB   ASN 111           HB2      ASN 111  13.991  -3.522  10.310
  914   2HB   ASN 111           HB3      ASN 111  14.969  -4.668   9.400
  915   1HD2  ASN 111          1HD2      ASN 111  16.455  -4.873  11.061
  916   2HD2  ASN 111          2HD2      ASN 111  17.588  -3.627  11.443
  917    H    VAL 112           H        VAL 112  14.898  -1.351   6.387
  918    HA   VAL 112           HA       VAL 112  16.655  -2.786   4.806
  919    HB   VAL 112           HB       VAL 112  16.839   0.205   4.961
  920   1HG1  VAL 112          2HG1      VAL 112  18.232  -1.042   3.351
  921   2HG1  VAL 112          1HG1      VAL 112  16.764  -1.699   2.625
  922   3HG1  VAL 112          3HG1      VAL 112  17.079   0.036   2.563
  923   1HG2  VAL 112          3HG2      VAL 112  14.513  -1.406   3.923
  924   2HG2  VAL 112          2HG2      VAL 112  14.492  -0.142   5.153
  925   3HG2  VAL 112          1HG2      VAL 112  14.818   0.272   3.472
  926    H    LYS 113           H        LYS 113  18.899  -2.684   4.465
  927    HA   LYS 113           HA       LYS 113  20.425  -2.085   6.889
  928   1HB   LYS 113           HB2      LYS 113  21.120  -3.717   4.444
  929   2HB   LYS 113           HB3      LYS 113  22.210  -3.445   5.796
  930   1HG   LYS 113           HG2      LYS 113  19.530  -4.576   6.380
  931   2HG   LYS 113           HG3      LYS 113  20.725  -5.618   5.607
  932   1HD   LYS 113           HD2      LYS 113  20.932  -5.944   7.953
  933   2HD   LYS 113           HD3      LYS 113  22.321  -4.984   7.440
  934   1HE   LYS 113           HE2      LYS 113  21.273  -4.198   9.553
  935   2HE   LYS 113           HE3      LYS 113  21.331  -2.976   8.283
  936   1HZ   LYS 113           HZ3      LYS 113  18.958  -4.617   8.992
  937   2HZ   LYS 113           HZ2      LYS 113  19.191  -2.994   9.403
  938   3HZ   LYS 113           HZ1      LYS 113  19.015  -3.437   7.780

  No H/Q in entry =         938
  Start of MODEL   20
    1    H1   GLY  -2           HT2      GLY  -2  -0.694   3.844  33.652
    2    H2   GLY  -2           HT1      GLY  -2   0.028   2.779  34.749
    3    H3   GLY  -2           HT3      GLY  -2  -0.372   4.350  35.233
    4   1HA   GLY  -2           HA2      GLY  -2   1.999   4.174  34.856
    5   2HA   GLY  -2           HA3      GLY  -2   1.249   5.281  33.716
    6    H    SER  -1           H        SER  -1   1.650   1.741  33.892
    7    HA   SER  -1           HA       SER  -1   2.350   1.728  31.057
    8   1HB   SER  -1           HB2      SER  -1   4.338   0.319  31.464
    9   2HB   SER  -1           HB3      SER  -1   4.505   1.912  32.204
   10    HG   SER  -1           HG       SER  -1   3.368   0.331  33.988
   11    H    HIS   0           H        HIS   0   2.258  -0.401  30.091
   12    HA   HIS   0           HA       HIS   0   1.072  -2.538  31.657
   13   1HB   HIS   0           HB2      HIS   0  -0.858  -2.774  30.104
   14   2HB   HIS   0           HB3      HIS   0  -0.907  -1.288  31.048
   15    HD1  HIS   0           HD1      HIS   0  -0.789   0.919  29.783
   16    HD2  HIS   0           HD2      HIS   0  -0.337  -2.409  27.338
   17    HE1  HIS   0           HE1      HIS   0  -0.949   1.788  27.429
   18    HE2  HIS   0           HE2      HIS   0  -0.582  -0.231  25.967
   19    H    MET   1           H        MET   1   1.048  -4.572  30.555
   20    HA   MET   1           HA       MET   1   3.277  -4.918  28.814
   21   1HB   MET   1           HB2      MET   1   1.126  -6.874  29.645
   22   2HB   MET   1           HB3      MET   1   2.612  -7.301  28.809
   23   1HG   MET   1           HG2      MET   1   3.913  -6.481  30.714
   24   2HG   MET   1           HG3      MET   1   2.416  -6.081  31.554
   25   1HE   MET   1           HE1      MET   1   0.652  -7.880  32.383
   26   2HE   MET   1           HE3      MET   1   0.538  -8.520  30.743
   27   3HE   MET   1           HE2      MET   1   0.817  -9.613  32.099
   28    H    ILE   2           H        ILE   2   3.001  -6.356  26.803
   29    HA   ILE   2           HA       ILE   2   1.097  -5.007  25.056
   30    HB   ILE   2           HB       ILE   2   2.338  -6.049  23.211
   31   1HG1  ILE   2          2HG1      ILE   2   4.117  -7.198  25.376
   32   2HG1  ILE   2          3HG1      ILE   2   2.965  -8.130  24.424
   33   1HG2  ILE   2          3HG2      ILE   2   3.058  -3.888  24.068
   34   2HG2  ILE   2          2HG2      ILE   2   4.101  -4.687  25.244
   35   3HG2  ILE   2          1HG2      ILE   2   4.443  -4.832  23.520
   36   1HD1  ILE   2          2HD1      ILE   2   5.357  -6.658  23.344
   37   2HD1  ILE   2          1HD1      ILE   2   5.227  -8.400  23.591
   38   3HD1  ILE   2          3HD1      ILE   2   4.205  -7.601  22.396
   39    H    ALA   3           H        ALA   3   0.535  -7.303  27.035
   40    HA   ALA   3           HA       ALA   3  -0.093  -9.662  25.750
   41   1HB   ALA   3           HB2      ALA   3  -0.237  -9.351  28.172
   42   2HB   ALA   3           HB3      ALA   3  -1.722 -10.044  27.521
   43   3HB   ALA   3           HB1      ALA   3  -1.662  -8.336  27.957
   44    HA   PRO   4           HA       PRO   4  -3.260  -7.983  22.984
   45   1HB   PRO   4           HB2      PRO   4  -3.313 -10.048  21.266
   46   2HB   PRO   4           HB3      PRO   4  -1.995  -8.868  21.264
   47   1HG   PRO   4           HG2      PRO   4  -2.086 -11.609  22.469
   48   2HG   PRO   4           HG3      PRO   4  -0.787 -10.839  21.541
   49   1HD   PRO   4           HD2      PRO   4  -0.805 -10.998  24.269
   50   2HD   PRO   4           HD3      PRO   4   0.011  -9.704  23.368
   51    H    LEU   5           H        LEU   5  -5.444  -8.318  22.802
   52    HA   LEU   5           HA       LEU   5  -6.563 -10.435  24.477
   53   1HB   LEU   5           HB2      LEU   5  -7.736  -7.920  23.304
   54   2HB   LEU   5           HB3      LEU   5  -8.715  -9.134  24.103
   55    HG   LEU   5           HG       LEU   5  -7.318  -8.788  26.165
   56   1HD1  LEU   5          1HD1      LEU   5  -6.268  -6.450  24.576
   57   2HD1  LEU   5          3HD1      LEU   5  -6.024  -6.702  26.305
   58   3HD1  LEU   5          2HD1      LEU   5  -5.338  -7.836  25.144
   59   1HD2  LEU   5          3HD2      LEU   5  -9.516  -7.769  25.914
   60   2HD2  LEU   5          2HD2      LEU   5  -8.420  -6.697  26.785
   61   3HD2  LEU   5          1HD2      LEU   5  -8.792  -6.388  25.090
   62    H    SER   6           H        SER   6  -5.985  -9.745  21.226
   63    HA   SER   6           HA       SER   6  -7.768 -11.933  20.419
   64   1HB   SER   6           HB2      SER   6  -7.439  -9.313  18.937
   65   2HB   SER   6           HB3      SER   6  -8.333 -10.711  18.342
   66    HG   SER   6           HG       SER   6  -9.342  -8.811  19.709
   67    H    VAL   7           H        VAL   7  -7.193 -12.372  17.915
   68    HA   VAL   7           HA       VAL   7  -4.278 -12.770  17.883
   69    HB   VAL   7           HB       VAL   7  -6.350 -14.292  16.301
   70   1HG1  VAL   7          1HG1      VAL   7  -4.124 -14.297  15.308
   71   2HG1  VAL   7          3HG1      VAL   7  -3.434 -14.848  16.836
   72   3HG1  VAL   7          2HG1      VAL   7  -4.535 -15.892  15.937
   73   1HG2  VAL   7          3HG2      VAL   7  -4.984 -15.046  18.882
   74   2HG2  VAL   7          2HG2      VAL   7  -6.697 -14.684  18.671
   75   3HG2  VAL   7          1HG2      VAL   7  -5.999 -16.114  17.911
   76    H    LYS   8           H        LYS   8  -3.586 -10.904  16.884
   77    HA   LYS   8           HA       LYS   8  -4.218 -10.704  14.045
   78   1HB   LYS   8           HB2      LYS   8  -3.983  -8.072  14.715
   79   2HB   LYS   8           HB3      LYS   8  -5.499  -8.910  14.438
   80   1HG   LYS   8           HG2      LYS   8  -5.635  -7.642  16.479
   81   2HG   LYS   8           HG3      LYS   8  -5.647  -9.366  16.861
   82   1HD   LYS   8           HD2      LYS   8  -4.172  -8.433  18.425
   83   2HD   LYS   8           HD3      LYS   8  -3.123  -9.131  17.186
   84   1HE   LYS   8           HE2      LYS   8  -2.346  -6.914  17.846
   85   2HE   LYS   8           HE3      LYS   8  -2.857  -6.936  16.159
   86   1HZ   LYS   8           HZ2      LYS   8  -4.473  -5.923  18.435
   87   2HZ   LYS   8           HZ1      LYS   8  -3.658  -4.968  17.302
   88   3HZ   LYS   8           HZ3      LYS   8  -4.955  -5.939  16.815
   89    H    ASP   9           H        ASP   9  -2.216 -11.525  13.613
   90    HA   ASP   9           HA       ASP   9   0.130 -10.059  14.568
   91   1HB   ASP   9           HB2      ASP   9   0.029 -12.576  14.721
   92   2HB   ASP   9           HB3      ASP   9   0.076 -12.620  12.960
   93    H    ASN  10           H        ASN  10  -1.739  -9.017  12.538
   94    HA   ASN  10           HA       ASN  10  -0.849  -9.205   9.935
   95   1HB   ASN  10           HB2      ASN  10  -1.675  -6.529  10.992
   96   2HB   ASN  10           HB3      ASN  10  -2.128  -7.335   9.491
   97   1HD2  ASN  10          1HD2      ASN  10  -2.796  -6.984  12.860
   98   2HD2  ASN  10          2HD2      ASN  10  -4.293  -7.844  12.864
   99    H    ASP  11           H        ASP  11  -0.017  -6.603  12.162
  100    HA   ASP  11           HA       ASP  11   1.977  -5.422  10.668
  101   1HB   ASP  11           HB2      ASP  11   2.808  -4.591  12.945
  102   2HB   ASP  11           HB3      ASP  11   1.151  -4.198  12.499
  103    H    LYS  12           H        LYS  12   3.567  -6.555   9.801
  104    HA   LYS  12           HA       LYS  12   5.088  -8.427  11.467
  105   1HB   LYS  12           HB2      LYS  12   6.037  -9.251   9.343
  106   2HB   LYS  12           HB3      LYS  12   4.284  -9.363   9.381
  107   1HG   LYS  12           HG2      LYS  12   4.101  -7.378   7.998
  108   2HG   LYS  12           HG3      LYS  12   5.858  -7.212   7.987
  109   1HD   LYS  12           HD2      LYS  12   4.363  -9.610   6.933
  110   2HD   LYS  12           HD3      LYS  12   4.943  -8.277   5.934
  111   1HE   LYS  12           HE2      LYS  12   7.241  -8.745   6.661
  112   2HE   LYS  12           HE3      LYS  12   6.651 -10.098   7.627
  113   1HZ   LYS  12           HZ2      LYS  12   5.861 -11.153   5.600
  114   2HZ   LYS  12           HZ1      LYS  12   6.430  -9.856   4.675
  115   3HZ   LYS  12           HZ3      LYS  12   7.521 -10.847   5.506
  116    H    TRP  13           H        TRP  13   6.918  -7.761  12.323
  117    HA   TRP  13           HA       TRP  13   8.207  -5.365  11.256
  118   1HB   TRP  13           HB2      TRP  13   8.624  -6.645  13.966
  119   2HB   TRP  13           HB3      TRP  13   9.049  -5.014  13.470
  120    HD1  TRP  13           HD1      TRP  13   5.668  -6.941  13.351
  121    HE1  TRP  13           HE1      TRP  13   3.852  -5.440  14.359
  122    HE3  TRP  13           HE3      TRP  13   8.559  -2.938  14.705
  123    HZ2  TRP  13           HZ2      TRP  13   3.635  -2.912  15.555
  124    HZ3  TRP  13           HZ3      TRP  13   7.462  -1.021  15.793
  125    HH2  TRP  13           HH2      TRP  13   5.055  -1.012  16.214
  126    H    VAL  14           H        VAL  14   9.922  -5.773   9.925
  127    HA   VAL  14           HA       VAL  14  11.911  -7.738  10.805
  128    HB   VAL  14           HB       VAL  14  12.011  -8.829   8.595
  129   1HG1  VAL  14          3HG1      VAL  14  10.813  -9.903  10.423
  130   2HG1  VAL  14          2HG1      VAL  14   9.336  -9.053   9.968
  131   3HG1  VAL  14          1HG1      VAL  14  10.039 -10.247   8.875
  132   1HG2  VAL  14          1HG2      VAL  14  10.996  -7.069   7.257
  133   2HG2  VAL  14          3HG2      VAL  14  10.134  -8.592   7.039
  134   3HG2  VAL  14          2HG2      VAL  14   9.449  -7.331   8.062
  135    H    ASP  15           H        ASP  15  13.586  -7.925   8.883
  136    HA   ASP  15           HA       ASP  15  14.627  -5.230   8.506
  137   1HB   ASP  15           HB2      ASP  15  15.742  -7.990   8.551
  138   2HB   ASP  15           HB3      ASP  15  16.624  -6.755   7.651
  139    H    THR  16           H        THR  16  16.175  -5.394   6.284
  140    HA   THR  16           HA       THR  16  14.939  -6.639   4.059
  141    HB   THR  16           HB       THR  16  13.306  -4.734   4.745
  142    HG1  THR  16           HG1      THR  16  12.637  -5.314   2.827
  143   1HG2  THR  16          3HG2      THR  16  15.001  -2.971   4.910
  144   2HG2  THR  16          2HG2      THR  16  15.361  -3.162   3.196
  145   3HG2  THR  16          1HG2      THR  16  13.776  -2.585   3.704
  146    H    HIS  17           H        HIS  17  15.525  -5.200   1.967
  147    HA   HIS  17           HA       HIS  17  18.367  -4.459   2.204
  148   1HB   HIS  17           HB2      HIS  17  16.910  -6.120   0.172
  149   2HB   HIS  17           HB3      HIS  17  18.377  -5.267  -0.290
  150    HD1  HIS  17           HD1      HIS  17  17.171  -8.283   1.410
  151    HD2  HIS  17           HD2      HIS  17  20.723  -6.141   1.157
  152    HE1  HIS  17           HE1      HIS  17  18.953  -9.832   2.277
  153    HE2  HIS  17           HE2      HIS  17  21.081  -8.485   2.189
  154    H    VAL  18           H        VAL  18  18.274  -3.725  -0.734
  155    HA   VAL  18           HA       VAL  18  16.868  -1.165  -0.369
  156    HB   VAL  18           HB       VAL  18  19.131  -1.742  -2.281
  157   1HG1  VAL  18          1HG1      VAL  18  17.737   0.810  -1.476
  158   2HG1  VAL  18          3HG1      VAL  18  19.229   0.744  -2.413
  159   3HG1  VAL  18          2HG1      VAL  18  17.745   0.055  -3.069
  160   1HG2  VAL  18          2HG2      VAL  18  19.885  -1.908   0.034
  161   2HG2  VAL  18          1HG2      VAL  18  20.535  -0.464  -0.741
  162   3HG2  VAL  18          3HG2      VAL  18  19.183  -0.329   0.384
  163    H    GLY  19           H        GLY  19  15.225  -0.657  -1.618
  164   1HA   GLY  19           HA3      GLY  19  14.910  -1.155  -4.330
  165   2HA   GLY  19           HA2      GLY  19  13.603  -0.792  -3.220
  166    H    LYS  20           H        LYS  20  14.435  -3.342  -1.703
  167    HA   LYS  20           HA       LYS  20  13.947  -5.512  -3.450
  168   1HB   LYS  20           HB2      LYS  20  14.720  -5.257  -0.825
  169   2HB   LYS  20           HB3      LYS  20  13.102  -5.909  -0.670
  170   1HG   LYS  20           HG2      LYS  20  14.413  -7.801  -0.733
  171   2HG   LYS  20           HG3      LYS  20  13.875  -7.646  -2.409
  172   1HD   LYS  20           HD2      LYS  20  15.942  -6.789  -3.107
  173   2HD   LYS  20           HD3      LYS  20  16.426  -6.421  -1.457
  174   1HE   LYS  20           HE2      LYS  20  17.623  -8.373  -2.320
  175   2HE   LYS  20           HE3      LYS  20  16.590  -8.803  -0.958
  176   1HZ   LYS  20           HZ3      LYS  20  15.931  -9.216  -3.824
  177   2HZ   LYS  20           HZ2      LYS  20  16.419 -10.420  -2.741
  178   3HZ   LYS  20           HZ1      LYS  20  14.940  -9.631  -2.517
  179    H    THR  21           H        THR  21  12.179  -4.840  -4.693
  180    HA   THR  21           HA       THR  21   9.739  -3.901  -3.918
  181    HB   THR  21           HB       THR  21  10.004  -6.003  -6.060
  182    HG1  THR  21           HG1      THR  21  10.287  -3.657  -7.162
  183   1HG2  THR  21          1HG2      THR  21   8.251  -3.558  -5.778
  184   2HG2  THR  21          3HG2      THR  21   8.266  -4.655  -7.158
  185   3HG2  THR  21          2HG2      THR  21   7.738  -5.233  -5.578
  186    H    THR  22           H        THR  22   8.690  -4.641  -2.176
  187    HA   THR  22           HA       THR  22   8.234  -7.523  -1.898
  188    HB   THR  22           HB       THR  22   7.763  -5.255   0.051
  189    HG1  THR  22           HG1      THR  22   9.859  -5.643   0.244
  190   1HG2  THR  22          2HG2      THR  22   6.104  -7.057   0.339
  191   2HG2  THR  22          1HG2      THR  22   7.418  -8.224   0.488
  192   3HG2  THR  22          3HG2      THR  22   7.221  -6.958   1.702
  193    H    GLU  23           H        GLU  23   6.665  -7.916  -3.375
  194    HA   GLU  23           HA       GLU  23   4.297  -6.338  -3.596
  195   1HB   GLU  23           HB2      GLU  23   5.300  -7.551  -5.491
  196   2HB   GLU  23           HB3      GLU  23   4.964  -9.074  -4.682
  197   1HG   GLU  23           HG2      GLU  23   2.619  -8.760  -4.881
  198   2HG   GLU  23           HG3      GLU  23   2.841  -7.096  -5.420
  199    H    ILE  24           H        ILE  24   2.479  -6.531  -2.480
  200    HA   ILE  24           HA       ILE  24   1.932  -9.072  -1.108
  201    HB   ILE  24           HB       ILE  24   1.539  -6.345   0.098
  202   1HG1  ILE  24          2HG1      ILE  24   3.554  -8.514   0.694
  203   2HG1  ILE  24          3HG1      ILE  24   3.895  -6.914   0.046
  204   1HG2  ILE  24          1HG2      ILE  24  -0.164  -7.978   0.758
  205   2HG2  ILE  24          3HG2      ILE  24   1.108  -9.086   1.278
  206   3HG2  ILE  24          2HG2      ILE  24   0.883  -7.548   2.111
  207   1HD1  ILE  24          3HD1      ILE  24   2.805  -7.496   2.787
  208   2HD1  ILE  24          2HD1      ILE  24   4.470  -7.069   2.398
  209   3HD1  ILE  24          1HD1      ILE  24   3.175  -5.900   2.132
  210    H    HIS  25           H        HIS  25   0.251  -9.796  -2.219
  211    HA   HIS  25           HA       HIS  25  -1.908  -8.034  -3.013
  212   1HB   HIS  25           HB2      HIS  25  -2.137 -10.993  -3.215
  213   2HB   HIS  25           HB3      HIS  25  -2.661  -9.754  -4.344
  214    HD1  HIS  25           HD1      HIS  25  -0.112 -12.248  -3.892
  215    HD2  HIS  25           HD2      HIS  25  -0.350  -8.552  -5.772
  216    HE1  HIS  25           HE1      HIS  25   1.804 -12.197  -5.518
  217    HE2  HIS  25           HE2      HIS  25   1.541 -10.017  -6.751
  218    H    LEU  26           H        LEU  26  -3.242  -7.433  -1.430
  219    HA   LEU  26           HA       LEU  26  -3.924  -9.366   0.674
  220   1HB   LEU  26           HB2      LEU  26  -4.371  -6.390   0.599
  221   2HB   LEU  26           HB3      LEU  26  -4.692  -7.440   1.963
  222    HG   LEU  26           HG       LEU  26  -1.932  -7.049   0.809
  223   1HD1  LEU  26          3HD1      LEU  26  -2.786  -4.897   1.575
  224   2HD1  LEU  26          2HD1      LEU  26  -3.219  -5.614   3.126
  225   3HD1  LEU  26          1HD1      LEU  26  -1.525  -5.498   2.651
  226   1HD2  LEU  26          3HD2      LEU  26  -2.317  -9.085   2.149
  227   2HD2  LEU  26          2HD2      LEU  26  -1.187  -7.967   2.916
  228   3HD2  LEU  26          1HD2      LEU  26  -2.850  -8.072   3.492
  229    H    LYS  27           H        LYS  27  -6.092  -9.724   1.238
  230    HA   LYS  27           HA       LYS  27  -7.964  -9.151  -0.943
  231   1HB   LYS  27           HB2      LYS  27  -8.443 -11.099   1.296
  232   2HB   LYS  27           HB3      LYS  27  -9.217 -11.037  -0.280
  233   1HG   LYS  27           HG2      LYS  27  -7.032 -11.631  -1.313
  234   2HG   LYS  27           HG3      LYS  27  -6.383 -11.854   0.314
  235   1HD   LYS  27           HD2      LYS  27  -7.030 -13.999  -0.547
  236   2HD   LYS  27           HD3      LYS  27  -8.158 -13.544   0.732
  237   1HE   LYS  27           HE2      LYS  27  -9.775 -12.813  -0.945
  238   2HE   LYS  27           HE3      LYS  27  -8.647 -13.247  -2.230
  239   1HZ   LYS  27           HZ2      LYS  27  -8.763 -15.548  -1.503
  240   2HZ   LYS  27           HZ1      LYS  27  -9.845 -15.132  -0.271
  241   3HZ   LYS  27           HZ3      LYS  27 -10.303 -14.968  -1.892
  242    H    GLY  28           H        GLY  28 -10.226  -8.709  -0.326
  243   1HA   GLY  28           HA3      GLY  28 -10.311  -6.497   1.462
  244   2HA   GLY  28           HA2      GLY  28 -11.077  -7.903   2.177
  245    H    ASN  29           H        ASN  29 -12.248  -5.347   1.410
  246    HA   ASN  29           HA       ASN  29 -13.729  -5.569  -0.978
  247   1HB   ASN  29           HB2      ASN  29 -14.803  -7.450   0.169
  248   2HB   ASN  29           HB3      ASN  29 -15.198  -6.405   1.531
  249   1HD2  ASN  29          1HD2      ASN  29 -17.392  -6.770   1.316
  250   2HD2  ASN  29          2HD2      ASN  29 -18.321  -6.089   0.029
  251    HA   PRO  30           HA       PRO  30 -13.704  -1.299   0.578
  252   1HB   PRO  30           HB2      PRO  30 -14.782  -0.278  -1.755
  253   2HB   PRO  30           HB3      PRO  30 -13.057  -0.509  -1.458
  254   1HG   PRO  30           HG2      PRO  30 -14.976  -2.251  -2.947
  255   2HG   PRO  30           HG3      PRO  30 -13.296  -1.842  -3.338
  256   1HD   PRO  30           HD2      PRO  30 -13.941  -4.209  -2.264
  257   2HD   PRO  30           HD3      PRO  30 -12.439  -3.373  -1.817
  258    H    THR  31           H        THR  31 -16.333  -3.163  -0.750
  259    HA   THR  31           HA       THR  31 -18.442  -1.368  -0.334
  260    HB   THR  31           HB       THR  31 -18.604  -4.377  -0.143
  261    HG1  THR  31           HG1      THR  31 -18.761  -2.741  -2.475
  262   1HG2  THR  31          1HG2      THR  31 -20.595  -2.286  -1.010
  263   2HG2  THR  31          3HG2      THR  31 -20.861  -4.029  -1.027
  264   3HG2  THR  31          2HG2      THR  31 -20.630  -3.188   0.505
  265    H    THR  32           H        THR  32 -16.626  -3.348   1.853
  266    HA   THR  32           HA       THR  32 -18.474  -3.612   3.948
  267    HB   THR  32           HB       THR  32 -16.551  -3.985   5.417
  268    HG1  THR  32           HG1      THR  32 -14.862  -2.794   4.917
  269   1HG2  THR  32          3HG2      THR  32 -16.210  -5.239   2.690
  270   2HG2  THR  32          2HG2      THR  32 -15.519  -5.850   4.194
  271   3HG2  THR  32          1HG2      THR  32 -17.269  -5.818   3.976
  272    H    GLY  33           H        GLY  33 -15.848  -1.214   3.573
  273   1HA   GLY  33           HA3      GLY  33 -17.070   0.410   5.672
  274   2HA   GLY  33           HA2      GLY  33 -17.002   1.113   4.064
  275    H    TYR  34           H        TYR  34 -14.358  -0.892   4.498
  276    HA   TYR  34           HA       TYR  34 -12.694   1.410   5.279
  277   1HB   TYR  34           HB2      TYR  34 -12.232  -1.495   5.970
  278   2HB   TYR  34           HB3      TYR  34 -11.121  -0.180   6.330
  279    HD1  TYR  34           HD1      TYR  34 -14.571  -1.387   7.009
  280    HD2  TYR  34           HD2      TYR  34 -11.316   1.022   8.340
  281    HE1  TYR  34           HE1      TYR  34 -15.720  -1.028   9.153
  282    HE2  TYR  34           HE2      TYR  34 -12.463   1.383  10.484
  283    HH   TYR  34           HH       TYR  34 -14.752   1.333  11.385
  284    H    MET  35           H        MET  35 -10.240   0.631   4.769
  285    HA   MET  35           HA       MET  35 -10.024  -0.617   2.173
  286   1HB   MET  35           HB2      MET  35 -10.258   1.476   1.248
  287   2HB   MET  35           HB3      MET  35  -9.707   2.293   2.703
  288   1HG   MET  35           HG2      MET  35  -7.400   1.501   2.177
  289   2HG   MET  35           HG3      MET  35  -8.024   0.910   0.653
  290   1HE   MET  35           HE3      MET  35 -10.139   3.041  -0.139
  291   2HE   MET  35           HE2      MET  35  -9.237   4.257  -1.044
  292   3HE   MET  35           HE1      MET  35  -8.940   2.544  -1.333
  293    H    TRP  36           H        TRP  36  -7.885  -1.205   1.678
  294    HA   TRP  36           HA       TRP  36  -6.107  -1.302   4.001
  295   1HB   TRP  36           HB2      TRP  36  -6.514  -2.986   1.585
  296   2HB   TRP  36           HB3      TRP  36  -4.905  -2.913   2.271
  297    HD1  TRP  36           HD1      TRP  36  -8.279  -4.487   2.768
  298    HE1  TRP  36           HE1      TRP  36  -8.213  -6.043   4.816
  299    HE3  TRP  36           HE3      TRP  36  -3.754  -3.107   4.681
  300    HZ2  TRP  36           HZ2      TRP  36  -6.471  -6.607   6.964
  301    HZ3  TRP  36           HZ3      TRP  36  -2.959  -4.198   6.731
  302    HH2  TRP  36           HH2      TRP  36  -4.289  -5.913   7.852
  303    H    THR  37           H        THR  37  -5.181   0.759   3.879
  304    HA   THR  37           HA       THR  37  -3.332   1.109   1.621
  305    HB   THR  37           HB       THR  37  -5.303   2.498   1.154
  306    HG1  THR  37           HG1      THR  37  -3.923   4.627   1.466
  307   1HG2  THR  37          1HG2      THR  37  -4.627   3.796   3.803
  308   2HG2  THR  37          3HG2      THR  37  -5.799   4.415   2.639
  309   3HG2  THR  37          2HG2      THR  37  -6.076   2.863   3.429
  310    H    ARG  38           H        ARG  38  -1.929   3.273   2.247
  311    HA   ARG  38           HA       ARG  38  -0.595   2.519   4.703
  312   1HB   ARG  38           HB2      ARG  38   0.065   4.213   2.348
  313   2HB   ARG  38           HB3      ARG  38   0.850   4.611   3.862
  314   1HG   ARG  38           HG2      ARG  38   1.857   2.502   4.020
  315   2HG   ARG  38           HG3      ARG  38   0.893   1.870   2.684
  316   1HD   ARG  38           HD2      ARG  38   3.299   2.533   2.202
  317   2HD   ARG  38           HD3      ARG  38   2.082   3.096   1.091
  318    HE   ARG  38           HE       ARG  38   2.317   5.281   2.080
  319   1HH1  ARG  38          1HH1      ARG  38   4.677   2.920   3.078
  320   2HH1  ARG  38          2HH1      ARG  38   5.871   4.100   3.507
  321   1HH2  ARG  38          1HH2      ARG  38   3.906   6.847   2.624
  322   2HH2  ARG  38          2HH2      ARG  38   5.432   6.325   3.254
  323    H    VAL  39           H        VAL  39   0.091   4.122   6.300
  324    HA   VAL  39           HA       VAL  39  -2.130   5.595   7.302
  325    HB   VAL  39           HB       VAL  39   0.747   5.648   8.226
  326   1HG1  VAL  39          1HG1      VAL  39  -1.790   6.505   9.616
  327   2HG1  VAL  39          3HG1      VAL  39  -0.193   6.427  10.361
  328   3HG1  VAL  39          2HG1      VAL  39  -0.499   7.563   9.047
  329   1HG2  VAL  39          1HG2      VAL  39  -0.434   3.407   8.189
  330   2HG2  VAL  39          3HG2      VAL  39   0.218   3.929   9.741
  331   3HG2  VAL  39          2HG2      VAL  39  -1.510   4.069   9.420
  332    H    GLY  40           H        GLY  40  -2.496   7.773   7.434
  333   1HA   GLY  40           HA3      GLY  40  -0.557   9.726   6.651
  334   2HA   GLY  40           HA2      GLY  40  -2.250  10.027   7.011
  335    H    PHE  41           H        PHE  41  -2.338   7.627   4.841
  336    HA   PHE  41           HA       PHE  41  -2.505   9.496   2.574
  337   1HB   PHE  41           HB2      PHE  41  -1.630   6.604   2.453
  338   2HB   PHE  41           HB3      PHE  41  -1.724   7.722   1.095
  339    HD1  PHE  41           HD1      PHE  41   0.357   6.334   3.547
  340    HD2  PHE  41           HD2      PHE  41  -0.319   9.908   1.350
  341    HE1  PHE  41           HE1      PHE  41   2.665   7.053   4.015
  342    HE2  PHE  41           HE2      PHE  41   1.988  10.637   1.807
  343    HZ   PHE  41           HZ       PHE  41   3.483   9.208   3.145
  344    H    VAL  42           H        VAL  42  -4.160   7.530   4.616
  345    HA   VAL  42           HA       VAL  42  -5.942   5.972   3.406
  346    HB   VAL  42           HB       VAL  42  -6.276   6.391   5.704
  347   1HG1  VAL  42          2HG1      VAL  42  -5.398   8.658   5.789
  348   2HG1  VAL  42          1HG1      VAL  42  -6.856   9.267   5.006
  349   3HG1  VAL  42          3HG1      VAL  42  -6.951   8.558   6.618
  350   1HG2  VAL  42          2HG2      VAL  42  -8.335   5.897   4.430
  351   2HG2  VAL  42          1HG2      VAL  42  -8.640   6.833   5.893
  352   3HG2  VAL  42          3HG2      VAL  42  -8.650   7.628   4.320
  353    H    GLY  43           H        GLY  43  -6.507   6.271   1.306
  354   1HA   GLY  43           HA3      GLY  43  -7.917   8.775   0.623
  355   2HA   GLY  43           HA2      GLY  43  -8.581   7.207   0.193
  356    H    LYS  44           H        LYS  44  -5.262   8.461   0.003
  357    HA   LYS  44           HA       LYS  44  -5.214   8.898  -2.762
  358   1HB   LYS  44           HB2      LYS  44  -2.945   8.244  -0.876
  359   2HB   LYS  44           HB3      LYS  44  -2.760   8.890  -2.497
  360   1HG   LYS  44           HG2      LYS  44  -3.957  10.915  -1.832
  361   2HG   LYS  44           HG3      LYS  44  -4.130  10.266  -0.199
  362   1HD   LYS  44           HD2      LYS  44  -1.692  10.204   0.030
  363   2HD   LYS  44           HD3      LYS  44  -1.523  10.862  -1.600
  364   1HE   LYS  44           HE2      LYS  44  -1.259  12.612   0.070
  365   2HE   LYS  44           HE3      LYS  44  -2.701  12.888  -0.907
  366   1HZ   LYS  44           HZ3      LYS  44  -2.664  11.694   1.812
  367   2HZ   LYS  44           HZ2      LYS  44  -3.133  13.275   1.436
  368   3HZ   LYS  44           HZ1      LYS  44  -4.045  11.966   0.874
  369    H    ASP  45           H        ASP  45  -3.025   7.576  -3.765
  370    HA   ASP  45           HA       ASP  45  -3.819   4.744  -3.732
  371   1HB   ASP  45           HB2      ASP  45  -3.987   6.609  -5.901
  372   2HB   ASP  45           HB3      ASP  45  -2.808   5.365  -6.299
  373    H    VAL  46           H        VAL  46  -1.278   6.998  -4.776
  374    HA   VAL  46           HA       VAL  46   0.750   5.066  -5.036
  375    HB   VAL  46           HB       VAL  46   1.059   7.153  -6.129
  376   1HG1  VAL  46          3HG1      VAL  46  -0.311   8.511  -4.603
  377   2HG1  VAL  46          2HG1      VAL  46   1.002   8.485  -3.426
  378   3HG1  VAL  46          1HG1      VAL  46   1.231   9.280  -4.983
  379   1HG2  VAL  46          2HG2      VAL  46   3.109   6.088  -5.335
  380   2HG2  VAL  46          1HG2      VAL  46   3.267   7.844  -5.357
  381   3HG2  VAL  46          3HG2      VAL  46   3.005   7.002  -3.830
  382    H    LEU  47           H        LEU  47   0.064   7.317  -2.376
  383    HA   LEU  47           HA       LEU  47   0.445   7.204  -0.152
  384   1HB   LEU  47           HB2      LEU  47   1.602   4.469  -0.396
  385   2HB   LEU  47           HB3      LEU  47   0.685   5.171   0.917
  386    HG   LEU  47           HG       LEU  47  -0.452   4.362  -1.758
  387   1HD1  LEU  47          2HD1      LEU  47  -0.622   3.053   0.953
  388   2HD1  LEU  47          1HD1      LEU  47  -1.582   2.592  -0.454
  389   3HD1  LEU  47          3HD1      LEU  47   0.173   2.414  -0.487
  390   1HD2  LEU  47          3HD2      LEU  47  -1.810   5.367   0.738
  391   2HD2  LEU  47          2HD2      LEU  47  -1.654   6.236  -0.788
  392   3HD2  LEU  47          1HD2      LEU  47  -2.625   4.766  -0.705
  393    H    SER  48           H        SER  48   3.040   5.325  -1.677
  394    HA   SER  48           HA       SER  48   5.170   5.980  -0.139
  395   1HB   SER  48           HB2      SER  48   6.554   5.418  -1.997
  396   2HB   SER  48           HB3      SER  48   5.101   4.437  -2.129
  397    HG   SER  48           HG       SER  48   5.374   5.263  -4.123
  398    H    ASP  49           H        ASP  49   7.110   7.360  -0.859
  399    HA   ASP  49           HA       ASP  49   6.467   9.873  -2.122
  400   1HB   ASP  49           HB2      ASP  49   6.966   9.697   0.843
  401   2HB   ASP  49           HB3      ASP  49   7.283  11.171  -0.068
  402    H    GLU  50           H        GLU  50   8.875   9.378   0.390
  403    HA   GLU  50           HA       GLU  50  10.975   9.306  -1.666
  404   1HB   GLU  50           HB2      GLU  50  12.311  10.824  -0.310
  405   2HB   GLU  50           HB3      GLU  50  10.761  11.557  -0.707
  406   1HG   GLU  50           HG2      GLU  50   9.913  11.035   1.500
  407   2HG   GLU  50           HG3      GLU  50  11.432  10.241   1.914
  408    H    ILE  51           H        ILE  51   9.943   8.459   1.574
  409    HA   ILE  51           HA       ILE  51  12.311   7.118   2.374
  410    HB   ILE  51           HB       ILE  51   9.515   6.588   3.369
  411   1HG1  ILE  51          2HG1      ILE  51  10.066   9.015   3.358
  412   2HG1  ILE  51          3HG1      ILE  51   9.841   8.358   4.972
  413   1HG2  ILE  51          3HG2      ILE  51  12.238   6.224   4.602
  414   2HG2  ILE  51          2HG2      ILE  51  10.719   6.073   5.487
  415   3HG2  ILE  51          1HG2      ILE  51  11.083   4.966   4.164
  416   1HD1  ILE  51          3HD1      ILE  51  12.499   8.862   3.658
  417   2HD1  ILE  51          2HD1      ILE  51  11.727   9.911   4.848
  418   3HD1  ILE  51          1HD1      ILE  51  12.239   8.285   5.304
  419    H    LEU  52           H        LEU  52   9.172   5.541   2.008
  420    HA   LEU  52           HA       LEU  52  10.537   3.236   0.801
  421   1HB   LEU  52           HB2      LEU  52   8.168   3.579   2.541
  422   2HB   LEU  52           HB3      LEU  52   8.060   2.318   1.330
  423    HG   LEU  52           HG       LEU  52  10.325   2.506   3.296
  424   1HD1  LEU  52          3HD1      LEU  52   7.781   0.905   3.501
  425   2HD1  LEU  52          2HD1      LEU  52   9.177   0.756   4.569
  426   3HD1  LEU  52          1HD1      LEU  52   8.250   2.257   4.532
  427   1HD2  LEU  52          3HD2      LEU  52  10.682   1.213   1.209
  428   2HD2  LEU  52          2HD2      LEU  52  10.765   0.233   2.672
  429   3HD2  LEU  52          1HD2      LEU  52   9.321   0.188   1.660
  430    H    GLU  53           H        GLU  53  10.386   3.048  -1.353
  431    HA   GLU  53           HA       GLU  53   8.474   4.452  -2.910
  432   1HB   GLU  53           HB2      GLU  53  10.719   2.649  -3.379
  433   2HB   GLU  53           HB3      GLU  53   9.401   2.385  -4.511
  434   1HG   GLU  53           HG2      GLU  53  10.130   5.185  -4.066
  435   2HG   GLU  53           HG3      GLU  53  11.366   4.193  -4.835
  436    H    VAL  54           H        VAL  54   6.689   3.584  -1.452
  437    HA   VAL  54           HA       VAL  54   5.808   0.898  -1.871
  438    HB   VAL  54           HB       VAL  54   4.182   3.173  -0.754
  439   1HG1  VAL  54          3HG1      VAL  54   2.940   1.157  -1.341
  440   2HG1  VAL  54          2HG1      VAL  54   4.033   0.189  -0.350
  441   3HG1  VAL  54          1HG1      VAL  54   2.987   1.389   0.407
  442   1HG2  VAL  54          3HG2      VAL  54   6.251   1.443   0.565
  443   2HG2  VAL  54          2HG2      VAL  54   6.119   3.200   0.571
  444   3HG2  VAL  54          1HG2      VAL  54   4.963   2.227   1.478
  445    H    VAL  55           H        VAL  55   5.668   0.832  -4.180
  446    HA   VAL  55           HA       VAL  55   3.780   2.517  -5.532
  447    HB   VAL  55           HB       VAL  55   4.954  -0.073  -6.523
  448   1HG1  VAL  55          2HG1      VAL  55   2.943   0.984  -7.665
  449   2HG1  VAL  55          1HG1      VAL  55   4.031   2.290  -8.133
  450   3HG1  VAL  55          3HG1      VAL  55   4.344   0.643  -8.683
  451   1HG2  VAL  55          2HG2      VAL  55   6.040   2.730  -6.793
  452   2HG2  VAL  55          1HG2      VAL  55   6.760   1.417  -5.863
  453   3HG2  VAL  55          3HG2      VAL  55   6.673   1.307  -7.622
  454    H    CYS  56           H        CYS  56   1.997   2.159  -4.197
  455    HA   CYS  56           HA       CYS  56   0.810  -0.488  -4.105
  456   1HB   CYS  56           HB2      CYS  56   0.767   0.809  -2.059
  457   2HB   CYS  56           HB3      CYS  56  -0.052   2.135  -2.878
  458    HG   CYS  56           HG       CYS  56  -2.412   0.686  -3.323
  459    H    LYS  57           H        LYS  57  -1.006  -1.111  -5.106
  460    HA   LYS  57           HA       LYS  57  -2.413   0.827  -6.796
  461   1HB   LYS  57           HB2      LYS  57  -1.816  -1.976  -7.699
  462   2HB   LYS  57           HB3      LYS  57  -2.449  -0.645  -8.652
  463   1HG   LYS  57           HG2      LYS  57  -0.306   0.512  -8.473
  464   2HG   LYS  57           HG3      LYS  57   0.335  -0.828  -7.519
  465   1HD   LYS  57           HD2      LYS  57  -0.021  -2.344  -9.405
  466   2HD   LYS  57           HD3      LYS  57  -0.667  -1.006 -10.360
  467   1HE   LYS  57           HE2      LYS  57   1.482   0.149 -10.196
  468   2HE   LYS  57           HE3      LYS  57   2.128  -1.184  -9.239
  469   1HZ   LYS  57           HZ1      LYS  57   1.789  -2.654 -11.128
  470   2HZ   LYS  57           HZ3      LYS  57   1.171  -1.373 -12.045
  471   3HZ   LYS  57           HZ2      LYS  57   2.790  -1.358 -11.552
  472    H    TYR  58           H        TYR  58  -4.307   0.922  -5.825
  473    HA   TYR  58           HA       TYR  58  -5.515  -1.412  -4.614
  474   1HB   TYR  58           HB2      TYR  58  -5.639   0.886  -3.574
  475   2HB   TYR  58           HB3      TYR  58  -6.687   1.368  -4.904
  476    HD1  TYR  58           HD1      TYR  58  -7.008   1.023  -1.681
  477    HD2  TYR  58           HD2      TYR  58  -8.420  -1.046  -5.145
  478    HE1  TYR  58           HE1      TYR  58  -8.989   0.239  -0.443
  479    HE2  TYR  58           HE2      TYR  58 -10.369  -1.842  -3.904
  480    HH   TYR  58           HH       TYR  58 -11.266  -0.549  -0.891
  481    H    THR  59           H        THR  59  -6.599  -2.810  -5.800
  482    HA   THR  59           HA       THR  59  -8.095  -1.830  -8.146
  483    HB   THR  59           HB       THR  59  -7.002  -4.623  -7.756
  484    HG1  THR  59           HG1      THR  59  -5.488  -3.899  -9.421
  485   1HG2  THR  59          3HG2      THR  59  -8.956  -4.485  -9.226
  486   2HG2  THR  59          2HG2      THR  59  -8.156  -3.237 -10.181
  487   3HG2  THR  59          1HG2      THR  59  -7.501  -4.874 -10.142
  488    HA   PRO  60           HA       PRO  60 -11.492  -3.634  -5.823
  489   1HB   PRO  60           HB2      PRO  60 -13.380  -2.016  -6.748
  490   2HB   PRO  60           HB3      PRO  60 -12.111  -1.390  -5.695
  491   1HG   PRO  60           HG2      PRO  60 -12.490  -1.047  -8.617
  492   2HG   PRO  60           HG3      PRO  60 -11.703   0.030  -7.452
  493   1HD   PRO  60           HD2      PRO  60 -10.481  -1.870  -9.208
  494   2HD   PRO  60           HD3      PRO  60  -9.691  -0.810  -8.023
  495    H    THR  61           H        THR  61 -10.532  -4.987  -8.178
  496    HA   THR  61           HA       THR  61 -12.109  -5.383 -10.321
  497    HB   THR  61           HB       THR  61 -11.348  -7.896  -8.931
  498    HG1  THR  61           HG1      THR  61  -9.224  -7.453  -8.914
  499   1HG2  THR  61          3HG2      THR  61 -10.920  -6.759 -11.691
  500   2HG2  THR  61          2HG2      THR  61 -10.295  -8.322 -11.163
  501   3HG2  THR  61          1HG2      THR  61 -12.035  -8.042 -11.222
  502    HA   PRO  62           HA       PRO  62 -16.273  -6.342  -9.170
  503   1HB   PRO  62           HB2      PRO  62 -16.013  -8.426 -11.297
  504   2HB   PRO  62           HB3      PRO  62 -17.285  -7.224 -11.050
  505   1HG   PRO  62           HG2      PRO  62 -15.445  -6.865 -12.934
  506   2HG   PRO  62           HG3      PRO  62 -16.010  -5.501 -11.951
  507   1HD   PRO  62           HD2      PRO  62 -13.441  -7.001 -11.810
  508   2HD   PRO  62           HD3      PRO  62 -13.769  -5.285 -11.496
  509    H    SER  63           H        SER  63 -17.009  -7.548  -7.556
  510    HA   SER  63           HA       SER  63 -15.554  -9.768  -6.545
  511   1HB   SER  63           HB2      SER  63 -16.810  -8.274  -5.067
  512   2HB   SER  63           HB3      SER  63 -18.322  -8.763  -5.833
  513    HG   SER  63           HG       SER  63 -16.830 -10.038  -3.923
  514    H    SER  64           H        SER  64 -16.830 -11.836  -5.929
  515    HA   SER  64           HA       SER  64 -17.995 -12.880  -8.412
  516   1HB   SER  64           HB2      SER  64 -15.998 -14.045  -7.566
  517   2HB   SER  64           HB3      SER  64 -16.829 -14.366  -6.045
  518    HG   SER  64           HG       SER  64 -17.274 -16.157  -7.121
  519    H    THR  65           H        THR  65 -19.234 -11.414  -5.937
  520    HA   THR  65           HA       THR  65 -20.985 -13.141  -4.627
  521    HB   THR  65           HB       THR  65 -22.411 -11.139  -4.234
  522    HG1  THR  65           HG1      THR  65 -22.031 -10.081  -6.238
  523   1HG2  THR  65          3HG2      THR  65 -19.445 -10.707  -3.856
  524   2HG2  THR  65          2HG2      THR  65 -20.722  -9.850  -2.995
  525   3HG2  THR  65          1HG2      THR  65 -20.517 -11.586  -2.766
  526    HA   PRO  66           HA       PRO  66 -24.034 -14.182  -7.649
  527   1HB   PRO  66           HB2      PRO  66 -26.218 -14.581  -6.142
  528   2HB   PRO  66           HB3      PRO  66 -24.809 -15.645  -6.018
  529   1HG   PRO  66           HG2      PRO  66 -25.567 -13.304  -4.289
  530   2HG   PRO  66           HG3      PRO  66 -25.073 -14.936  -3.790
  531   1HD   PRO  66           HD2      PRO  66 -23.352 -12.852  -3.831
  532   2HD   PRO  66           HD3      PRO  66 -22.835 -14.509  -4.205
  533    H    MET  67           H        MET  67 -23.836 -11.265  -6.445
  534    HA   MET  67           HA       MET  67 -26.201 -10.299  -7.885
  535   1HB   MET  67           HB2      MET  67 -26.335  -8.450  -6.133
  536   2HB   MET  67           HB3      MET  67 -26.882 -10.047  -5.644
  537   1HG   MET  67           HG2      MET  67 -24.750 -10.437  -4.520
  538   2HG   MET  67           HG3      MET  67 -24.202  -8.833  -5.009
  539   1HE   MET  67           HE3      MET  67 -24.158  -9.861  -1.991
  540   2HE   MET  67           HE2      MET  67 -23.617  -8.254  -2.476
  541   3HE   MET  67           HE1      MET  67 -24.762  -8.436  -1.147
  542    H    VAL  68           H        VAL  68 -24.712  -7.743  -6.383
  543    HA   VAL  68           HA       VAL  68 -22.844  -7.313  -8.615
  544    HB   VAL  68           HB       VAL  68 -24.680  -5.214  -7.449
  545   1HG1  VAL  68          2HG1      VAL  68 -22.711  -5.079  -9.730
  546   2HG1  VAL  68          1HG1      VAL  68 -23.826  -3.796  -9.263
  547   3HG1  VAL  68          3HG1      VAL  68 -22.543  -4.296  -8.160
  548   1HG2  VAL  68          2HG2      VAL  68 -25.915  -6.800  -8.820
  549   2HG2  VAL  68          1HG2      VAL  68 -25.784  -5.243  -9.639
  550   3HG2  VAL  68          3HG2      VAL  68 -24.757  -6.590 -10.133
  551    H    GLY  69           H        GLY  69 -20.847  -6.913  -7.931
  552   1HA   GLY  69           HA3      GLY  69 -19.795  -6.955  -5.500
  553   2HA   GLY  69           HA2      GLY  69 -20.428  -5.316  -5.525
  554    H    VAL  70           H        VAL  70 -18.357  -4.429  -5.325
  555    HA   VAL  70           HA       VAL  70 -16.557  -4.828  -7.615
  556    HB   VAL  70           HB       VAL  70 -17.236  -2.127  -6.436
  557   1HG1  VAL  70          3HG1      VAL  70 -14.942  -2.298  -7.282
  558   2HG1  VAL  70          2HG1      VAL  70 -15.558  -2.862  -8.834
  559   3HG1  VAL  70          1HG1      VAL  70 -15.923  -1.228  -8.283
  560   1HG2  VAL  70          2HG2      VAL  70 -19.109  -3.035  -7.718
  561   2HG2  VAL  70          1HG2      VAL  70 -18.366  -1.669  -8.550
  562   3HG2  VAL  70          3HG2      VAL  70 -18.037  -3.315  -9.090
  563    H    GLY  71           H        GLY  71 -15.507  -6.211  -5.978
  564   1HA   GLY  71           HA3      GLY  71 -14.496  -5.993  -3.633
  565   2HA   GLY  71           HA2      GLY  71 -13.683  -4.598  -4.323
  566    H    GLY  72           H        GLY  72 -11.680  -4.952  -4.982
  567   1HA   GLY  72           HA3      GLY  72 -10.152  -6.100  -6.449
  568   2HA   GLY  72           HA2      GLY  72 -10.998  -7.595  -6.091
  569    H    ILE  73           H        ILE  73  -8.250  -5.916  -5.523
  570    HA   ILE  73           HA       ILE  73  -7.874  -6.883  -2.801
  571    HB   ILE  73           HB       ILE  73  -5.705  -7.875  -3.348
  572   1HG1  ILE  73          2HG1      ILE  73  -6.403  -7.975  -6.240
  573   2HG1  ILE  73          3HG1      ILE  73  -5.628  -6.529  -5.595
  574   1HG2  ILE  73          1HG2      ILE  73  -7.755  -9.246  -3.179
  575   2HG2  ILE  73          3HG2      ILE  73  -7.879  -9.188  -4.938
  576   3HG2  ILE  73          2HG2      ILE  73  -6.482  -9.955  -4.174
  577   1HD1  ILE  73          1HD1      ILE  73  -3.802  -7.931  -4.726
  578   2HD1  ILE  73          3HD1      ILE  73  -4.564  -9.339  -5.467
  579   3HD1  ILE  73          2HD1      ILE  73  -3.965  -8.026  -6.482
  580    H    TYR  74           H        TYR  74  -5.135  -6.447  -2.646
  581    HA   TYR  74           HA       TYR  74  -4.758  -3.646  -3.406
  582   1HB   TYR  74           HB2      TYR  74  -4.000  -4.536  -0.645
  583   2HB   TYR  74           HB3      TYR  74  -4.341  -2.912  -1.235
  584    HD1  TYR  74           HD1      TYR  74  -6.562  -2.025  -1.184
  585    HD2  TYR  74           HD2      TYR  74  -5.889  -6.107  -0.195
  586    HE1  TYR  74           HE1      TYR  74  -8.855  -2.202  -0.313
  587    HE2  TYR  74           HE2      TYR  74  -8.175  -6.283   0.667
  588    HH   TYR  74           HH       TYR  74 -10.544  -3.931   0.097
  589    H    VAL  75           H        VAL  75  -3.097  -4.039  -4.821
  590    HA   VAL  75           HA       VAL  75  -0.920  -5.802  -4.075
  591    HB   VAL  75           HB       VAL  75  -1.316  -4.155  -6.580
  592   1HG1  VAL  75          2HG1      VAL  75   1.046  -4.626  -6.097
  593   2HG1  VAL  75          1HG1      VAL  75   0.676  -6.348  -6.015
  594   3HG1  VAL  75          3HG1      VAL  75   0.483  -5.474  -7.535
  595   1HG2  VAL  75          1HG2      VAL  75  -2.994  -5.918  -6.301
  596   2HG2  VAL  75          3HG2      VAL  75  -1.902  -6.266  -7.642
  597   3HG2  VAL  75          2HG2      VAL  75  -1.705  -7.106  -6.105
  598    H    VAL  76           H        VAL  76   0.471  -4.967  -2.657
  599    HA   VAL  76           HA       VAL  76   1.292  -2.159  -2.990
  600    HB   VAL  76           HB       VAL  76   1.513  -3.867  -0.514
  601   1HG1  VAL  76          2HG1      VAL  76   1.946  -0.915  -0.962
  602   2HG1  VAL  76          1HG1      VAL  76   1.955  -1.719   0.608
  603   3HG1  VAL  76          3HG1      VAL  76   3.184  -2.114  -0.593
  604   1HG2  VAL  76          1HG2      VAL  76  -0.821  -3.453  -1.082
  605   2HG2  VAL  76          3HG2      VAL  76  -0.355  -2.538   0.350
  606   3HG2  VAL  76          2HG2      VAL  76  -0.497  -1.725  -1.208
  607    H    LEU  77           H        LEU  77   3.159  -2.022  -4.098
  608    HA   LEU  77           HA       LEU  77   5.295  -3.945  -3.628
  609   1HB   LEU  77           HB2      LEU  77   5.043  -1.626  -5.543
  610   2HB   LEU  77           HB3      LEU  77   6.436  -2.686  -5.457
  611    HG   LEU  77           HG       LEU  77   5.018  -3.301  -7.309
  612   1HD1  LEU  77          3HD1      LEU  77   5.327  -5.136  -5.010
  613   2HD1  LEU  77          2HD1      LEU  77   4.324  -5.678  -6.360
  614   3HD1  LEU  77          1HD1      LEU  77   6.008  -5.231  -6.635
  615   1HD2  LEU  77          1HD2      LEU  77   2.905  -2.417  -6.478
  616   2HD2  LEU  77          3HD2      LEU  77   2.751  -4.076  -7.050
  617   3HD2  LEU  77          2HD2      LEU  77   2.817  -3.744  -5.320
  618    H    VAL  78           H        VAL  78   6.434  -3.508  -1.804
  619    HA   VAL  78           HA       VAL  78   6.988  -0.697  -1.172
  620    HB   VAL  78           HB       VAL  78   7.989  -2.564   0.792
  621   1HG1  VAL  78          3HG1      VAL  78   5.877  -0.395   0.874
  622   2HG1  VAL  78          2HG1      VAL  78   6.577  -1.191   2.287
  623   3HG1  VAL  78          1HG1      VAL  78   7.596  -0.204   1.239
  624   1HG2  VAL  78          2HG2      VAL  78   6.215  -4.016  -0.067
  625   2HG2  VAL  78          1HG2      VAL  78   5.862  -3.456   1.567
  626   3HG2  VAL  78          3HG2      VAL  78   5.041  -2.725   0.188
  627    H    LYS  79           H        LYS  79   8.737   0.013  -2.186
  628    HA   LYS  79           HA       LYS  79  11.139  -1.687  -2.245
  629   1HB   LYS  79           HB2      LYS  79  10.087   0.423  -4.093
  630   2HB   LYS  79           HB3      LYS  79  11.813   0.097  -4.041
  631   1HG   LYS  79           HG2      LYS  79  11.415  -2.223  -4.634
  632   2HG   LYS  79           HG3      LYS  79   9.665  -1.934  -4.648
  633   1HD   LYS  79           HD2      LYS  79  11.619  -0.449  -6.403
  634   2HD   LYS  79           HD3      LYS  79  10.781  -1.919  -6.904
  635   1HE   LYS  79           HE2      LYS  79   9.465   0.654  -6.043
  636   2HE   LYS  79           HE3      LYS  79   9.639   0.091  -7.706
  637   1HZ   LYS  79           HZ3      LYS  79   8.293  -1.846  -7.139
  638   2HZ   LYS  79           HZ2      LYS  79   8.102  -1.271  -5.560
  639   3HZ   LYS  79           HZ1      LYS  79   7.446  -0.408  -6.858
  640    HA   PRO  80           HA       PRO  80  12.429   1.304   0.952
  641   1HB   PRO  80           HB2      PRO  80  14.927   0.092   1.194
  642   2HB   PRO  80           HB3      PRO  80  13.503  -0.272   2.171
  643   1HG   PRO  80           HG2      PRO  80  14.599  -1.711  -0.195
  644   2HG   PRO  80           HG3      PRO  80  13.810  -2.362   1.252
  645   1HD   PRO  80           HD2      PRO  80  12.526  -2.196  -1.099
  646   2HD   PRO  80           HD3      PRO  80  11.686  -1.933   0.443
  647    H    ARG  81           H        ARG  81  12.878   3.226   0.072
  648    HA   ARG  81           HA       ARG  81  14.729   3.511  -2.113
  649   1HB   ARG  81           HB2      ARG  81  12.711   5.148  -0.814
  650   2HB   ARG  81           HB3      ARG  81  14.168   6.060  -1.176
  651   1HG   ARG  81           HG2      ARG  81  14.014   5.438  -3.507
  652   2HG   ARG  81           HG3      ARG  81  12.604   4.431  -3.164
  653   1HD   ARG  81           HD2      ARG  81  11.313   6.343  -2.529
  654   2HD   ARG  81           HD3      ARG  81  12.726   7.394  -2.633
  655    HE   ARG  81           HE       ARG  81  12.075   6.056  -5.098
  656   1HH1  ARG  81          1HH1      ARG  81  11.506   8.859  -3.110
  657   2HH1  ARG  81          2HH1      ARG  81  10.989   9.851  -4.432
  658   1HH2  ARG  81          1HH2      ARG  81  11.397   7.355  -6.844
  659   2HH2  ARG  81          2HH2      ARG  81  10.926   8.995  -6.554
  660    H    LYS  82           H        LYS  82  14.581   4.824   1.200
  661    HA   LYS  82           HA       LYS  82  17.433   5.465   1.041
  662   1HB   LYS  82           HB2      LYS  82  15.434   6.233   3.172
  663   2HB   LYS  82           HB3      LYS  82  17.068   6.855   2.997
  664   1HG   LYS  82           HG2      LYS  82  16.405   7.816   0.804
  665   2HG   LYS  82           HG3      LYS  82  14.748   7.303   1.135
  666   1HD   LYS  82           HD2      LYS  82  14.703   8.688   3.139
  667   2HD   LYS  82           HD3      LYS  82  16.373   9.179   2.849
  668   1HE   LYS  82           HE2      LYS  82  14.020   9.729   1.044
  669   2HE   LYS  82           HE3      LYS  82  14.810  10.897   2.103
  670   1HZ   LYS  82           HZ2      LYS  82  16.089   9.503  -0.187
  671   2HZ   LYS  82           HZ1      LYS  82  15.571  11.113  -0.177
  672   3HZ   LYS  82           HZ3      LYS  82  16.843  10.627   0.828
  673    H    ARG  83           H        ARG  83  18.797   5.029   2.918
  674    HA   ARG  83           HA       ARG  83  18.263   2.368   3.991
  675   1HB   ARG  83           HB2      ARG  83  20.785   3.968   4.361
  676   2HB   ARG  83           HB3      ARG  83  20.580   2.223   4.424
  677   1HG   ARG  83           HG2      ARG  83  20.411   2.038   2.104
  678   2HG   ARG  83           HG3      ARG  83  20.084   3.761   1.901
  679   1HD   ARG  83           HD2      ARG  83  22.687   2.503   2.747
  680   2HD   ARG  83           HD3      ARG  83  22.338   3.272   1.200
  681    HE   ARG  83           HE       ARG  83  21.840   5.162   3.161
  682   1HH1  ARG  83          1HH1      ARG  83  24.557   3.326   1.981
  683   2HH1  ARG  83          2HH1      ARG  83  25.722   4.540   2.397
  684   1HH2  ARG  83          1HH2      ARG  83  23.366   6.764   3.712
  685   2HH2  ARG  83          2HH2      ARG  83  25.045   6.493   3.380
  686    H    GLY  84           H        GLY  84  18.106   1.911   6.160
  687   1HA   GLY  84           HA3      GLY  84  17.645   4.231   7.898
  688   2HA   GLY  84           HA2      GLY  84  18.801   3.016   8.419
  689    H    HIS  85           H        HIS  85  15.675   4.014   8.700
  690    HA   HIS  85           HA       HIS  85  14.682   1.305   9.277
  691   1HB   HIS  85           HB2      HIS  85  14.333   3.746  11.029
  692   2HB   HIS  85           HB3      HIS  85  13.591   2.174  11.311
  693    HD1  HIS  85           HD1      HIS  85  16.657   4.090  11.909
  694    HD2  HIS  85           HD2      HIS  85  15.490   0.103  11.992
  695    HE1  HIS  85           HE1      HIS  85  18.460   2.889  13.186
  696    HE2  HIS  85           HE2      HIS  85  17.772   0.465  13.155
  697    H    HIS  86           H        HIS  86  13.269   1.101   7.625
  698    HA   HIS  86           HA       HIS  86  11.270   3.228   7.250
  699   1HB   HIS  86           HB2      HIS  86  12.139   1.007   5.385
  700   2HB   HIS  86           HB3      HIS  86  10.837   2.145   5.049
  701    HD1  HIS  86           HD1      HIS  86  13.626   3.773   6.724
  702    HD2  HIS  86           HD2      HIS  86  12.578   2.846   2.812
  703    HE1  HIS  86           HE1      HIS  86  15.078   5.227   5.277
  704    HE2  HIS  86           HE2      HIS  86  14.371   4.705   2.916
  705    H    THR  87           H        THR  87   9.048   2.431   6.646
  706    HA   THR  87           HA       THR  87   8.327  -0.207   7.567
  707    HB   THR  87           HB       THR  87   7.371   2.210   9.109
  708    HG1  THR  87           HG1      THR  87   8.514   1.257  10.815
  709   1HG2  THR  87          2HG2      THR  87   5.604   0.533   8.788
  710   2HG2  THR  87          1HG2      THR  87   6.672  -0.709   9.443
  711   3HG2  THR  87          3HG2      THR  87   6.126   0.617  10.471
  712    H    LEU  88           H        LEU  88   6.222  -0.819   7.044
  713    HA   LEU  88           HA       LEU  88   4.722   1.067   5.350
  714   1HB   LEU  88           HB2      LEU  88   5.722  -0.579   3.921
  715   2HB   LEU  88           HB3      LEU  88   5.205  -1.884   4.970
  716    HG   LEU  88           HG       LEU  88   2.803  -1.094   4.399
  717   1HD1  LEU  88          3HD1      LEU  88   3.438   1.006   3.352
  718   2HD1  LEU  88          2HD1      LEU  88   4.347   0.128   2.120
  719   3HD1  LEU  88          1HD1      LEU  88   2.594  -0.041   2.210
  720   1HD2  LEU  88          2HD2      LEU  88   4.588  -2.454   2.397
  721   2HD2  LEU  88          1HD2      LEU  88   3.654  -3.218   3.679
  722   3HD2  LEU  88          3HD2      LEU  88   2.827  -2.449   2.323
  723    H    GLU  89           H        GLU  89   3.369   1.640   7.109
  724    HA   GLU  89           HA       GLU  89   1.912  -0.475   8.457
  725   1HB   GLU  89           HB2      GLU  89   1.009   2.261   8.939
  726   2HB   GLU  89           HB3      GLU  89   1.488   1.014  10.078
  727   1HG   GLU  89           HG2      GLU  89   3.847   1.530   9.604
  728   2HG   GLU  89           HG3      GLU  89   3.316   2.825   8.531
  729    H    LEU  90           H        LEU  90   0.595  -1.397   6.952
  730    HA   LEU  90           HA       LEU  90  -1.246   0.305   5.463
  731   1HB   LEU  90           HB2      LEU  90  -0.702  -2.657   5.407
  732   2HB   LEU  90           HB3      LEU  90  -2.012  -1.917   4.506
  733    HG   LEU  90           HG       LEU  90   0.918  -1.270   4.158
  734   1HD1  LEU  90          2HD1      LEU  90  -0.951  -2.886   2.433
  735   2HD1  LEU  90          1HD1      LEU  90   0.707  -2.442   2.024
  736   3HD1  LEU  90          3HD1      LEU  90   0.391  -3.516   3.388
  737   1HD2  LEU  90          1HD2      LEU  90  -1.539  -0.347   2.672
  738   2HD2  LEU  90          3HD2      LEU  90  -0.440   0.646   3.633
  739   3HD2  LEU  90          2HD2      LEU  90   0.120  -0.087   2.129
  740    H    VAL  91           H        VAL  91  -2.772   1.066   6.798
  741    HA   VAL  91           HA       VAL  91  -4.044  -0.700   8.747
  742    HB   VAL  91           HB       VAL  91  -5.289   1.865   8.673
  743   1HG1  VAL  91          2HG1      VAL  91  -3.467   0.490  10.627
  744   2HG1  VAL  91          1HG1      VAL  91  -4.253   2.033  10.956
  745   3HG1  VAL  91          3HG1      VAL  91  -5.228   0.593  10.667
  746   1HG2  VAL  91          2HG2      VAL  91  -3.294   2.652   7.499
  747   2HG2  VAL  91          1HG2      VAL  91  -3.415   3.340   9.118
  748   3HG2  VAL  91          3HG2      VAL  91  -2.282   2.024   8.805
  749    H    TYR  92           H        TYR  92  -6.254  -1.069   8.839
  750    HA   TYR  92           HA       TYR  92  -7.677  -0.931   6.299
  751   1HB   TYR  92           HB2      TYR  92  -7.586  -2.975   7.922
  752   2HB   TYR  92           HB3      TYR  92  -8.764  -2.076   8.870
  753    HD1  TYR  92           HD1      TYR  92 -10.693  -3.374   8.671
  754    HD2  TYR  92           HD2      TYR  92  -8.529  -2.322   5.161
  755    HE1  TYR  92           HE1      TYR  92 -12.503  -4.296   7.285
  756    HE2  TYR  92           HE2      TYR  92 -10.334  -3.238   3.767
  757    HH   TYR  92           HH       TYR  92 -13.388  -4.059   5.015
  758    H    THR  93           H        THR  93  -7.776   1.398   6.382
  759    HA   THR  93           HA       THR  93  -9.433   2.591   8.483
  760    HB   THR  93           HB       THR  93  -7.391   3.751   8.131
  761    HG1  THR  93           HG1      THR  93  -8.232   5.803   7.294
  762   1HG2  THR  93          1HG2      THR  93  -8.129   3.861   5.204
  763   2HG2  THR  93          3HG2      THR  93  -6.730   4.644   5.939
  764   3HG2  THR  93          2HG2      THR  93  -6.844   2.885   5.918
  765    H    ARG  94           H        ARG  94 -10.798   4.484   7.734
  766    HA   ARG  94           HA       ARG  94 -12.486   3.602   5.499
  767   1HB   ARG  94           HB2      ARG  94 -13.122   5.518   7.749
  768   2HB   ARG  94           HB3      ARG  94 -14.249   4.962   6.518
  769   1HG   ARG  94           HG2      ARG  94 -14.010   2.667   7.362
  770   2HG   ARG  94           HG3      ARG  94 -12.935   3.265   8.627
  771   1HD   ARG  94           HD2      ARG  94 -15.186   2.984   9.491
  772   2HD   ARG  94           HD3      ARG  94 -14.736   4.689   9.480
  773    HE   ARG  94           HE       ARG  94 -16.049   4.207   7.093
  774   1HH1  ARG  94          1HH1      ARG  94 -16.776   4.054  10.499
  775   2HH1  ARG  94          2HH1      ARG  94 -18.457   4.409  10.286
  776   1HH2  ARG  94          1HH2      ARG  94 -18.263   4.674   6.806
  777   2HH2  ARG  94          2HH2      ARG  94 -19.303   4.761   8.188
  778    HA   PRO  95           HA       PRO  95 -10.226   7.006   3.374
  779   1HB   PRO  95           HB2      PRO  95 -12.307   6.038   1.443
  780   2HB   PRO  95           HB3      PRO  95 -10.640   6.536   1.134
  781   1HG   PRO  95           HG2      PRO  95 -11.230   3.957   1.260
  782   2HG   PRO  95           HG3      PRO  95  -9.757   4.568   2.033
  783   1HD   PRO  95           HD2      PRO  95 -12.327   3.706   3.270
  784   2HD   PRO  95           HD3      PRO  95 -10.672   3.575   3.892
  785    H    PHE  96           H        PHE  96 -13.664   6.497   3.858
  786    HA   PHE  96           HA       PHE  96 -14.350   9.204   3.148
  787   1HB   PHE  96           HB2      PHE  96 -16.393   7.706   4.583
  788   2HB   PHE  96           HB3      PHE  96 -16.426   8.400   2.971
  789    HD1  PHE  96           HD1      PHE  96 -16.278   5.399   4.857
  790    HD2  PHE  96           HD2      PHE  96 -15.300   7.110   1.085
  791    HE1  PHE  96           HE1      PHE  96 -16.164   3.148   3.871
  792    HE2  PHE  96           HE2      PHE  96 -15.183   4.862   0.092
  793    HZ   PHE  96           HZ       PHE  96 -15.617   2.877   1.485
  794    H    GLU  97           H        GLU  97 -13.937   7.298   6.094
  795    HA   GLU  97           HA       GLU  97 -14.570   9.675   7.699
  796   1HB   GLU  97           HB2      GLU  97 -14.328   6.777   8.521
  797   2HB   GLU  97           HB3      GLU  97 -14.691   8.103   9.616
  798   1HG   GLU  97           HG2      GLU  97 -16.380   7.226   7.284
  799   2HG   GLU  97           HG3      GLU  97 -16.698   6.881   8.983
  800    H    GLY  98           H        GLY  98 -12.564   7.043   8.836
  801   1HA   GLY  98           HA3      GLY  98 -10.665   8.580  10.093
  802   2HA   GLY  98           HA2      GLY  98 -10.052   8.376   8.457
  803    H    ILE  99           H        ILE  99  -8.423   7.425  10.167
  804    HA   ILE  99           HA       ILE  99  -8.569   4.581   9.762
  805    HB   ILE  99           HB       ILE  99  -6.360   6.097  11.096
  806   1HG1  ILE  99          2HG1      ILE  99  -6.416   5.386   8.180
  807   2HG1  ILE  99          3HG1      ILE  99  -7.108   6.909   8.742
  808   1HG2  ILE  99          1HG2      ILE  99  -6.653   3.391   9.837
  809   2HG2  ILE  99          3HG2      ILE  99  -5.071   4.145  10.061
  810   3HG2  ILE  99          2HG2      ILE  99  -6.094   3.806  11.460
  811   1HD1  ILE  99          1HD1      ILE  99  -4.256   6.000   9.121
  812   2HD1  ILE  99          3HD1      ILE  99  -4.824   7.191   7.951
  813   3HD1  ILE  99          2HD1      ILE  99  -4.938   7.528   9.679
  814    H    LYS 100           H        LYS 100  -7.343   6.268  12.567
  815    HA   LYS 100           HA       LYS 100  -7.683   6.022  14.801
  816   1HB   LYS 100           HB2      LYS 100 -10.124   4.422  14.021
  817   2HB   LYS 100           HB3      LYS 100  -9.781   5.090  15.611
  818   1HG   LYS 100           HG2      LYS 100 -10.900   6.903  15.002
  819   2HG   LYS 100           HG3      LYS 100  -9.584   7.249  13.878
  820   1HD   LYS 100           HD2      LYS 100 -11.607   7.318  12.629
  821   2HD   LYS 100           HD3      LYS 100 -10.771   5.829  12.189
  822   1HE   LYS 100           HE2      LYS 100 -13.194   5.511  12.516
  823   2HE   LYS 100           HE3      LYS 100 -12.218   4.537  13.617
  824   1HZ   LYS 100           HZ1      LYS 100 -13.545   7.106  14.296
  825   2HZ   LYS 100           HZ3      LYS 100 -14.075   5.569  14.762
  826   3HZ   LYS 100           HZ2      LYS 100 -12.611   6.174  15.353
  827    HA   PRO 101           HA       PRO 101  -5.623   2.290  15.837
  828   1HB   PRO 101           HB2      PRO 101  -6.399   1.891  18.421
  829   2HB   PRO 101           HB3      PRO 101  -5.230   3.118  17.929
  830   1HG   PRO 101           HG2      PRO 101  -8.143   3.414  18.535
  831   2HG   PRO 101           HG3      PRO 101  -6.791   4.468  18.991
  832   1HD   PRO 101           HD2      PRO 101  -8.442   5.047  16.937
  833   2HD   PRO 101           HD3      PRO 101  -6.724   5.490  16.926
  834    H    GLU 102           H        GLU 102  -9.052   2.375  16.662
  835    HA   GLU 102           HA       GLU 102  -9.507  -0.302  17.166
  836   1HB   GLU 102           HB2      GLU 102 -11.845   0.160  16.322
  837   2HB   GLU 102           HB3      GLU 102 -11.257   1.215  17.603
  838   1HG   GLU 102           HG2      GLU 102 -10.695   2.904  15.942
  839   2HG   GLU 102           HG3      GLU 102 -11.311   1.854  14.671
  840    H    ASN 103           H        ASN 103  -8.630   1.166  14.214
  841    HA   ASN 103           HA       ASN 103  -9.717  -0.942  12.545
  842   1HB   ASN 103           HB2      ASN 103  -8.027   1.486  11.958
  843   2HB   ASN 103           HB3      ASN 103  -8.456   0.301  10.729
  844   1HD2  ASN 103          1HD2      ASN 103 -10.706   0.962  13.257
  845   2HD2  ASN 103          2HD2      ASN 103 -11.818   1.885  12.313
  846    H    GLU 104           H        GLU 104  -8.603  -2.582  11.592
  847    HA   GLU 104           HA       GLU 104  -6.258  -3.534  12.800
  848   1HB   GLU 104           HB2      GLU 104  -8.019  -4.304  10.562
  849   2HB   GLU 104           HB3      GLU 104  -6.381  -4.923  10.499
  850   1HG   GLU 104           HG2      GLU 104  -7.692  -6.551  11.593
  851   2HG   GLU 104           HG3      GLU 104  -6.716  -5.772  12.831
  852    H    ARG 105           H        ARG 105  -4.469  -4.349  11.014
  853    HA   ARG 105           HA       ARG 105  -3.788  -2.364   9.074
  854   1HB   ARG 105           HB2      ARG 105  -1.708  -1.593  10.140
  855   2HB   ARG 105           HB3      ARG 105  -3.138  -1.114  11.043
  856   1HG   ARG 105           HG2      ARG 105  -1.977  -3.673  11.852
  857   2HG   ARG 105           HG3      ARG 105  -0.940  -2.264  12.142
  858   1HD   ARG 105           HD2      ARG 105  -2.137  -2.084  14.043
  859   2HD   ARG 105           HD3      ARG 105  -3.327  -1.322  12.985
  860    HE   ARG 105           HE       ARG 105  -3.841  -4.041  12.921
  861   1HH1  ARG 105          1HH1      ARG 105  -3.810  -1.489  15.293
  862   2HH1  ARG 105          2HH1      ARG 105  -5.034  -2.216  16.280
  863   1HH2  ARG 105          1HH2      ARG 105  -5.453  -5.005  14.215
  864   2HH2  ARG 105          2HH2      ARG 105  -5.967  -4.216  15.669
  865    H    TYR 106           H        TYR 106  -1.111  -2.656   8.948
  866    HA   TYR 106           HA       TYR 106  -0.192  -5.343   9.139
  867   1HB   TYR 106           HB2      TYR 106  -1.682  -5.423   7.091
  868   2HB   TYR 106           HB3      TYR 106  -0.582  -4.279   6.330
  869    HD1  TYR 106           HD1      TYR 106  -0.987  -7.696   7.590
  870    HD2  TYR 106           HD2      TYR 106   1.567  -5.007   5.512
  871    HE1  TYR 106           HE1      TYR 106   0.383  -9.586   6.847
  872    HE2  TYR 106           HE2      TYR 106   2.951  -6.896   4.760
  873    HH   TYR 106           HH       TYR 106   1.953 -10.129   5.035
  874    H    THR 107           H        THR 107   1.099  -3.751  10.377
  875    HA   THR 107           HA       THR 107   2.730  -1.850   9.047
  876    HB   THR 107           HB       THR 107   3.605  -2.971  11.658
  877    HG1  THR 107           HG1      THR 107   1.122  -1.690  11.177
  878   1HG2  THR 107          1HG2      THR 107   3.205  -0.178  10.583
  879   2HG2  THR 107          3HG2      THR 107   3.863  -0.572  12.170
  880   3HG2  THR 107          2HG2      THR 107   4.737  -1.039  10.713
  881    H    LEU 108           H        LEU 108   3.750  -2.939   7.360
  882    HA   LEU 108           HA       LEU 108   5.514  -5.152   7.910
  883   1HB   LEU 108           HB2      LEU 108   4.442  -5.240   5.807
  884   2HB   LEU 108           HB3      LEU 108   4.836  -3.574   5.444
  885    HG   LEU 108           HG       LEU 108   7.180  -4.157   5.132
  886   1HD1  LEU 108          2HD1      LEU 108   7.262  -5.976   6.801
  887   2HD1  LEU 108          1HD1      LEU 108   6.368  -7.004   5.680
  888   3HD1  LEU 108          3HD1      LEU 108   7.977  -6.424   5.251
  889   1HD2  LEU 108          1HD2      LEU 108   5.679  -4.318   3.220
  890   2HD2  LEU 108          3HD2      LEU 108   6.964  -5.524   3.129
  891   3HD2  LEU 108          2HD2      LEU 108   5.341  -6.001   3.624
  892    H    HIS 109           H        HIS 109   7.083  -4.359   9.308
  893    HA   HIS 109           HA       HIS 109   8.548  -1.986   8.671
  894   1HB   HIS 109           HB2      HIS 109   8.953  -4.083  10.751
  895   2HB   HIS 109           HB3      HIS 109  10.020  -2.705  10.573
  896    HD1  HIS 109           HD1      HIS 109   9.365  -0.660  11.815
  897    HD2  HIS 109           HD2      HIS 109   6.169  -3.274  11.306
  898    HE1  HIS 109           HE1      HIS 109   7.459   0.356  13.098
  899    HE2  HIS 109           HE2      HIS 109   5.567  -1.292  12.862
  900    H    LEU 110           H        LEU 110  10.640  -1.832   7.982
  901    HA   LEU 110           HA       LEU 110  11.971  -4.230   7.017
  902   1HB   LEU 110           HB2      LEU 110  11.130  -1.918   5.276
  903   2HB   LEU 110           HB3      LEU 110  12.319  -3.102   4.791
  904    HG   LEU 110           HG       LEU 110   9.426  -3.688   5.433
  905   1HD1  LEU 110          2HD1      LEU 110   9.691  -2.437   3.355
  906   2HD1  LEU 110          1HD1      LEU 110  10.876  -3.615   2.790
  907   3HD1  LEU 110          3HD1      LEU 110   9.198  -4.101   3.039
  908   1HD2  LEU 110          3HD2      LEU 110  10.956  -5.546   5.966
  909   2HD2  LEU 110          2HD2      LEU 110   9.869  -5.921   4.630
  910   3HD2  LEU 110          1HD2      LEU 110  11.551  -5.505   4.307
  911    H    ASN 111           H        ASN 111  13.630  -3.838   8.481
  912    HA   ASN 111           HA       ASN 111  14.933  -1.354   8.804
  913   1HB   ASN 111           HB2      ASN 111  15.040  -3.483  10.289
  914   2HB   ASN 111           HB3      ASN 111  16.317  -3.997   9.195
  915   1HD2  ASN 111          1HD2      ASN 111  17.208  -1.222   8.782
  916   2HD2  ASN 111          2HD2      ASN 111  18.079  -0.800  10.211
  917    H    VAL 112           H        VAL 112  15.265  -0.564   6.711
  918    HA   VAL 112           HA       VAL 112  16.590  -1.935   4.651
  919    HB   VAL 112           HB       VAL 112  16.651   1.057   4.988
  920   1HG1  VAL 112          1HG1      VAL 112  17.926   0.077   3.124
  921   2HG1  VAL 112          3HG1      VAL 112  16.448  -0.686   2.536
  922   3HG1  VAL 112          2HG1      VAL 112  16.580   1.072   2.565
  923   1HG2  VAL 112          1HG2      VAL 112  14.360  -0.653   4.028
  924   2HG2  VAL 112          3HG2      VAL 112  14.382   0.388   5.451
  925   3HG2  VAL 112          2HG2      VAL 112  14.459   1.097   3.839
  926    H    LYS 113           H        LYS 113  18.614  -2.646   4.660
  927    HA   LYS 113           HA       LYS 113  20.624  -1.373   6.326
  928   1HB   LYS 113           HB2      LYS 113  20.624  -3.885   4.656
  929   2HB   LYS 113           HB3      LYS 113  22.042  -3.302   5.516
  930   1HG   LYS 113           HG2      LYS 113  19.447  -3.814   6.924
  931   2HG   LYS 113           HG3      LYS 113  20.626  -5.095   6.639
  932   1HD   LYS 113           HD2      LYS 113  22.312  -3.868   7.868
  933   2HD   LYS 113           HD3      LYS 113  21.211  -2.503   8.070
  934   1HE   LYS 113           HE2      LYS 113  20.744  -5.277   9.156
  935   2HE   LYS 113           HE3      LYS 113  21.381  -3.922  10.088
  936   1HZ   LYS 113           HZ3      LYS 113  19.326  -2.718   9.668
  937   2HZ   LYS 113           HZ2      LYS 113  18.715  -4.024   8.783
  938   3HZ   LYS 113           HZ1      LYS 113  19.012  -4.192  10.439

  No H/Q in entry =         938
  Start of MODEL   21
    1    H1   GLY  -2           HT1      GLY  -2  -3.725 -19.057  27.162
    2    H2   GLY  -2           HT3      GLY  -2  -4.473 -20.157  28.208
    3    H3   GLY  -2           HT2      GLY  -2  -5.128 -18.611  27.996
    4   1HA   GLY  -2           HA2      GLY  -2  -2.505 -19.233  29.243
    5   2HA   GLY  -2           HA3      GLY  -2  -3.963 -18.768  30.108
    6    H    SER  -1           H        SER  -1  -3.553 -17.235  27.093
    7    HA   SER  -1           HA       SER  -1  -3.024 -14.709  28.439
    8   1HB   SER  -1           HB2      SER  -1  -1.213 -14.106  26.870
    9   2HB   SER  -1           HB3      SER  -1  -0.782 -15.502  27.858
   10    HG   SER  -1           HG       SER  -1  -0.941 -15.311  25.186
   11    H    HIS   0           H        HIS   0  -3.933 -16.498  25.572
   12    HA   HIS   0           HA       HIS   0  -5.507 -14.175  24.694
   13   1HB   HIS   0           HB2      HIS   0  -3.954 -16.050  22.897
   14   2HB   HIS   0           HB3      HIS   0  -5.036 -14.776  22.345
   15    HD1  HIS   0           HD1      HIS   0  -1.583 -15.404  23.401
   16    HD2  HIS   0           HD2      HIS   0  -4.070 -12.110  22.921
   17    HE1  HIS   0           HE1      HIS   0  -0.056 -13.407  23.375
   18    HE2  HIS   0           HE2      HIS   0  -1.591 -11.419  23.171
   19    H    MET   1           H        MET   1  -7.463 -14.655  23.617
   20    HA   MET   1           HA       MET   1  -8.601 -17.210  24.409
   21   1HB   MET   1           HB2      MET   1  -9.895 -14.783  23.152
   22   2HB   MET   1           HB3      MET   1 -10.751 -16.203  23.739
   23   1HG   MET   1           HG2      MET   1  -9.958 -15.746  26.004
   24   2HG   MET   1           HG3      MET   1  -9.108 -14.318  25.414
   25   1HE   MET   1           HE2      MET   1 -12.596 -15.990  26.044
   26   2HE   MET   1           HE1      MET   1 -13.702 -14.769  25.412
   27   3HE   MET   1           HE3      MET   1 -12.649 -15.659  24.313
   28    H    ILE   2           H        ILE   2  -6.978 -16.082  21.776
   29    HA   ILE   2           HA       ILE   2  -6.685 -16.813  19.642
   30    HB   ILE   2           HB       ILE   2  -8.369 -19.218  20.305
   31   1HG1  ILE   2          2HG1      ILE   2  -6.812 -18.888  22.170
   32   2HG1  ILE   2          3HG1      ILE   2  -6.347 -20.288  21.210
   33   1HG2  ILE   2          1HG2      ILE   2  -6.007 -18.767  18.488
   34   2HG2  ILE   2          3HG2      ILE   2  -6.738 -20.340  18.806
   35   3HG2  ILE   2          2HG2      ILE   2  -7.675 -19.077  18.010
   36   1HD1  ILE   2          3HD1      ILE   2  -4.616 -18.961  20.116
   37   2HD1  ILE   2          2HD1      ILE   2  -5.081 -17.561  21.084
   38   3HD1  ILE   2          1HD1      ILE   2  -4.408 -18.991  21.866
   39    H    ALA   3           H        ALA   3  -9.382 -15.571  20.682
   40    HA   ALA   3           HA       ALA   3 -11.072 -16.263  18.393
   41   1HB   ALA   3           HB1      ALA   3 -12.113 -16.308  20.608
   42   2HB   ALA   3           HB3      ALA   3 -11.716 -14.604  20.829
   43   3HB   ALA   3           HB2      ALA   3 -12.853 -15.088  19.571
   44    HA   PRO   4           HA       PRO   4 -10.025 -12.632  16.098
   45   1HB   PRO   4           HB2      PRO   4 -12.891 -12.476  15.364
   46   2HB   PRO   4           HB3      PRO   4 -11.470 -12.617  14.325
   47   1HG   PRO   4           HG2      PRO   4 -13.109 -14.691  14.704
   48   2HG   PRO   4           HG3      PRO   4 -11.355 -14.918  14.573
   49   1HD   PRO   4           HD2      PRO   4 -13.092 -14.913  17.011
   50   2HD   PRO   4           HD3      PRO   4 -11.710 -15.955  16.613
   51    H    LEU   5           H        LEU   5  -9.603 -10.875  17.303
   52    HA   LEU   5           HA       LEU   5 -11.862  -9.209  18.128
   53   1HB   LEU   5           HB2      LEU   5  -9.554  -9.960  19.924
   54   2HB   LEU   5           HB3      LEU   5 -10.744  -8.726  20.290
   55    HG   LEU   5           HG       LEU   5 -11.397 -11.646  19.886
   56   1HD1  LEU   5          2HD1      LEU   5 -10.004 -11.341  21.862
   57   2HD1  LEU   5          1HD1      LEU   5 -11.089 -10.078  22.441
   58   3HD1  LEU   5          3HD1      LEU   5 -11.663 -11.740  22.311
   59   1HD2  LEU   5          2HD2      LEU   5 -13.244 -10.132  19.388
   60   2HD2  LEU   5          1HD2      LEU   5 -13.549 -11.048  20.865
   61   3HD2  LEU   5          3HD2      LEU   5 -13.042  -9.361  20.961
   62    H    SER   6           H        SER   6 -10.471  -7.186  19.368
   63    HA   SER   6           HA       SER   6  -9.526  -5.679  17.214
   64   1HB   SER   6           HB2      SER   6  -8.765  -4.059  18.919
   65   2HB   SER   6           HB3      SER   6 -10.395  -4.644  19.255
   66    HG   SER   6           HG       SER   6  -7.974  -5.409  20.512
   67    H    VAL   7           H        VAL   7  -7.910  -7.921  19.294
   68    HA   VAL   7           HA       VAL   7  -5.255  -6.992  18.618
   69    HB   VAL   7           HB       VAL   7  -4.457  -8.927  19.905
   70   1HG1  VAL   7          2HG1      VAL   7  -4.966  -6.852  21.073
   71   2HG1  VAL   7          1HG1      VAL   7  -6.638  -7.369  21.290
   72   3HG1  VAL   7          3HG1      VAL   7  -5.333  -8.245  22.089
   73   1HG2  VAL   7          1HG2      VAL   7  -7.385  -9.586  20.210
   74   2HG2  VAL   7          3HG2      VAL   7  -6.185 -10.531  19.328
   75   3HG2  VAL   7          2HG2      VAL   7  -6.065 -10.368  21.080
   76    H    LYS   8           H        LYS   8  -3.806  -7.978  17.252
   77    HA   LYS   8           HA       LYS   8  -4.139 -10.465  16.010
   78   1HB   LYS   8           HB2      LYS   8  -6.029  -9.333  14.887
   79   2HB   LYS   8           HB3      LYS   8  -4.927  -8.104  14.286
   80   1HG   LYS   8           HG2      LYS   8  -5.373  -9.665  12.533
   81   2HG   LYS   8           HG3      LYS   8  -3.701  -9.872  13.058
   82   1HD   LYS   8           HD2      LYS   8  -4.363 -11.798  14.413
   83   2HD   LYS   8           HD3      LYS   8  -6.036 -11.591  13.895
   84   1HE   LYS   8           HE2      LYS   8  -5.365 -11.983  11.575
   85   2HE   LYS   8           HE3      LYS   8  -3.692 -12.189  12.093
   86   1HZ   LYS   8           HZ3      LYS   8  -5.976 -13.906  12.905
   87   2HZ   LYS   8           HZ2      LYS   8  -4.787 -14.316  11.774
   88   3HZ   LYS   8           HZ1      LYS   8  -4.370 -14.105  13.400
   89    H    ASP   9           H        ASP   9  -2.280 -11.044  14.987
   90    HA   ASP   9           HA       ASP   9  -0.042  -9.286  15.234
   91   1HB   ASP   9           HB2      ASP   9  -0.110 -11.954  13.838
   92   2HB   ASP   9           HB3      ASP   9   1.271 -11.156  14.567
   93    H    ASN  10           H        ASN  10   0.149  -7.665  13.824
   94    HA   ASN  10           HA       ASN  10  -0.169  -8.259  10.964
   95   1HB   ASN  10           HB2      ASN  10  -0.373  -5.510  11.202
   96   2HB   ASN  10           HB3      ASN  10  -1.706  -6.636  10.970
   97   1HD2  ASN  10          1HD2      ASN  10   0.054  -4.693  13.248
   98   2HD2  ASN  10          2HD2      ASN  10  -1.123  -4.744  14.512
   99    H    ASP  11           H        ASP  11   1.086  -5.391  12.492
  100    HA   ASP  11           HA       ASP  11   3.086  -4.679  10.933
  101   1HB   ASP  11           HB2      ASP  11   4.358  -4.122  13.186
  102   2HB   ASP  11           HB3      ASP  11   2.884  -3.274  12.728
  103    H    LYS  12           H        LYS  12   4.385  -5.980   9.870
  104    HA   LYS  12           HA       LYS  12   5.749  -8.177  11.194
  105   1HB   LYS  12           HB2      LYS  12   5.313  -7.331   8.379
  106   2HB   LYS  12           HB3      LYS  12   6.768  -8.258   8.720
  107   1HG   LYS  12           HG2      LYS  12   4.270  -9.329   9.854
  108   2HG   LYS  12           HG3      LYS  12   4.402  -9.360   8.095
  109   1HD   LYS  12           HD2      LYS  12   5.229 -11.439   9.047
  110   2HD   LYS  12           HD3      LYS  12   6.542 -10.544   8.281
  111   1HE   LYS  12           HE2      LYS  12   7.281  -9.734  10.454
  112   2HE   LYS  12           HE3      LYS  12   5.941 -10.572  11.237
  113   1HZ   LYS  12           HZ1      LYS  12   6.861 -12.675  10.475
  114   2HZ   LYS  12           HZ3      LYS  12   8.150 -11.867   9.733
  115   3HZ   LYS  12           HZ2      LYS  12   7.986 -11.833  11.416
  116    H    TRP  13           H        TRP  13   7.285  -7.343  12.523
  117    HA   TRP  13           HA       TRP  13   9.085  -5.273  11.689
  118   1HB   TRP  13           HB2      TRP  13   9.503  -7.001  14.104
  119   2HB   TRP  13           HB3      TRP  13   9.847  -5.292  13.882
  120    HD1  TRP  13           HD1      TRP  13   6.896  -7.666  14.534
  121    HE1  TRP  13           HE1      TRP  13   4.947  -6.311  15.522
  122    HE3  TRP  13           HE3      TRP  13   8.891  -2.972  14.154
  123    HZ2  TRP  13           HZ2      TRP  13   4.320  -3.607  16.062
  124    HZ3  TRP  13           HZ3      TRP  13   7.557  -1.059  14.939
  125    HH2  TRP  13           HH2      TRP  13   5.327  -1.372  15.877
  126    H    VAL  14           H        VAL  14  10.428  -5.851  10.052
  127    HA   VAL  14           HA       VAL  14  12.345  -7.995  10.629
  128    HB   VAL  14           HB       VAL  14  12.119  -8.979   8.377
  129   1HG1  VAL  14          2HG1      VAL  14  11.024 -10.045  10.272
  130   2HG1  VAL  14          1HG1      VAL  14   9.591  -9.049  10.020
  131   3HG1  VAL  14          3HG1      VAL  14  10.062 -10.237   8.806
  132   1HG2  VAL  14          3HG2      VAL  14   9.678  -7.220   8.186
  133   2HG2  VAL  14          2HG2      VAL  14  11.137  -7.109   7.202
  134   3HG2  VAL  14          1HG2      VAL  14  10.085  -8.517   7.063
  135    H    ASP  15           H        ASP  15  13.716  -8.159   8.372
  136    HA   ASP  15           HA       ASP  15  14.791  -5.447   8.012
  137   1HB   ASP  15           HB2      ASP  15  15.979  -8.165   8.170
  138   2HB   ASP  15           HB3      ASP  15  16.775  -7.000   7.113
  139    H    THR  16           H        THR  16  16.205  -5.540   5.766
  140    HA   THR  16           HA       THR  16  15.070  -6.938   3.593
  141    HB   THR  16           HB       THR  16  13.215  -5.259   4.298
  142    HG1  THR  16           HG1      THR  16  13.561  -4.842   1.629
  143   1HG2  THR  16          1HG2      THR  16  14.708  -3.296   4.410
  144   2HG2  THR  16          3HG2      THR  16  14.977  -3.432   2.674
  145   3HG2  THR  16          2HG2      THR  16  13.366  -3.066   3.290
  146    H    HIS  17           H        HIS  17  15.457  -5.490   1.457
  147    HA   HIS  17           HA       HIS  17  18.185  -4.397   1.678
  148   1HB   HIS  17           HB2      HIS  17  16.965  -6.318  -0.231
  149   2HB   HIS  17           HB3      HIS  17  18.095  -5.150  -0.904
  150    HD1  HIS  17           HD1      HIS  17  17.923  -8.289   0.987
  151    HD2  HIS  17           HD2      HIS  17  20.755  -5.349   0.214
  152    HE1  HIS  17           HE1      HIS  17  20.136  -9.304   1.617
  153    HE2  HIS  17           HE2      HIS  17  21.843  -7.538   1.058
  154    H    VAL  18           H        VAL  18  18.374  -3.387  -0.941
  155    HA   VAL  18           HA       VAL  18  16.679  -1.043  -0.642
  156    HB   VAL  18           HB       VAL  18  19.045  -0.666  -1.058
  157   1HG1  VAL  18          3HG1      VAL  18  19.537  -2.673  -2.347
  158   2HG1  VAL  18          2HG1      VAL  18  18.581  -2.056  -3.695
  159   3HG1  VAL  18          1HG1      VAL  18  20.063  -1.229  -3.211
  160   1HG2  VAL  18          3HG2      VAL  18  17.406   0.979  -1.860
  161   2HG2  VAL  18          2HG2      VAL  18  18.846   0.936  -2.878
  162   3HG2  VAL  18          1HG2      VAL  18  17.359   0.159  -3.421
  163    H    GLY  19           H        GLY  19  15.034  -0.483  -1.879
  164   1HA   GLY  19           HA3      GLY  19  14.585  -1.022  -4.554
  165   2HA   GLY  19           HA2      GLY  19  13.331  -0.647  -3.389
  166    H    LYS  20           H        LYS  20  14.234  -3.200  -1.901
  167    HA   LYS  20           HA       LYS  20  13.682  -5.385  -3.584
  168   1HB   LYS  20           HB2      LYS  20  14.521  -5.128  -1.014
  169   2HB   LYS  20           HB3      LYS  20  12.865  -5.637  -0.759
  170   1HG   LYS  20           HG2      LYS  20  14.048  -7.623  -0.782
  171   2HG   LYS  20           HG3      LYS  20  13.400  -7.515  -2.423
  172   1HD   LYS  20           HD2      LYS  20  15.458  -6.872  -3.316
  173   2HD   LYS  20           HD3      LYS  20  16.082  -6.409  -1.738
  174   1HE   LYS  20           HE2      LYS  20  16.128  -8.763  -1.063
  175   2HE   LYS  20           HE3      LYS  20  15.489  -9.226  -2.640
  176   1HZ   LYS  20           HZ2      LYS  20  18.095  -7.885  -2.161
  177   2HZ   LYS  20           HZ1      LYS  20  17.881  -9.519  -2.537
  178   3HZ   LYS  20           HZ3      LYS  20  17.481  -8.331  -3.672
  179    H    THR  21           H        THR  21  11.904  -4.751  -4.838
  180    HA   THR  21           HA       THR  21   9.469  -3.788  -4.021
  181    HB   THR  21           HB       THR  21   9.707  -5.863  -6.193
  182    HG1  THR  21           HG1      THR  21  11.118  -3.635  -6.005
  183   1HG2  THR  21          1HG2      THR  21   7.960  -3.419  -5.860
  184   2HG2  THR  21          3HG2      THR  21   7.949  -4.509  -7.247
  185   3HG2  THR  21          2HG2      THR  21   7.449  -5.094  -5.660
  186    H    THR  22           H        THR  22   8.626  -4.603  -2.166
  187    HA   THR  22           HA       THR  22   8.127  -7.475  -1.975
  188    HB   THR  22           HB       THR  22   7.808  -5.246   0.045
  189    HG1  THR  22           HG1      THR  22   9.569  -7.482  -0.091
  190   1HG2  THR  22          3HG2      THR  22   6.057  -6.924   0.397
  191   2HG2  THR  22          2HG2      THR  22   7.276  -8.198   0.399
  192   3HG2  THR  22          1HG2      THR  22   7.265  -6.987   1.681
  193    H    GLU  23           H        GLU  23   6.459  -7.968  -3.234
  194    HA   GLU  23           HA       GLU  23   4.118  -6.360  -3.482
  195   1HB   GLU  23           HB2      GLU  23   5.051  -7.846  -5.261
  196   2HB   GLU  23           HB3      GLU  23   4.570  -9.232  -4.293
  197   1HG   GLU  23           HG2      GLU  23   2.285  -8.758  -4.561
  198   2HG   GLU  23           HG3      GLU  23   2.625  -7.141  -5.174
  199    H    ILE  24           H        ILE  24   2.264  -6.472  -2.392
  200    HA   ILE  24           HA       ILE  24   1.852  -8.740  -0.565
  201    HB   ILE  24           HB       ILE  24   1.244  -5.884   0.133
  202   1HG1  ILE  24          2HG1      ILE  24   3.557  -7.578   1.086
  203   2HG1  ILE  24          3HG1      ILE  24   3.688  -6.270  -0.083
  204   1HG2  ILE  24          3HG2      ILE  24  -0.147  -7.557   1.241
  205   2HG2  ILE  24          2HG2      ILE  24   1.302  -8.386   1.811
  206   3HG2  ILE  24          1HG2      ILE  24   0.930  -6.762   2.390
  207   1HD1  ILE  24          2HD1      ILE  24   2.776  -4.745   1.695
  208   2HD1  ILE  24          1HD1      ILE  24   2.998  -6.078   2.828
  209   3HD1  ILE  24          3HD1      ILE  24   4.389  -5.397   1.984
  210    H    HIS  25           H        HIS  25   0.217  -9.700  -1.678
  211    HA   HIS  25           HA       HIS  25  -2.042  -8.171  -2.628
  212   1HB   HIS  25           HB2      HIS  25  -2.014 -11.160  -2.403
  213   2HB   HIS  25           HB3      HIS  25  -2.810 -10.150  -3.596
  214    HD1  HIS  25           HD1      HIS  25  -0.191 -12.445  -3.444
  215    HD2  HIS  25           HD2      HIS  25  -0.575  -8.674  -5.144
  216    HE1  HIS  25           HE1      HIS  25   1.584 -12.326  -5.219
  217    HE2  HIS  25           HE2      HIS  25   1.219 -10.101  -6.341
  218    H    LEU  26           H        LEU  26  -3.146  -7.310  -0.939
  219    HA   LEU  26           HA       LEU  26  -3.783  -8.984   1.367
  220   1HB   LEU  26           HB2      LEU  26  -4.366  -6.074   0.859
  221   2HB   LEU  26           HB3      LEU  26  -4.647  -6.920   2.366
  222    HG   LEU  26           HG       LEU  26  -1.902  -6.621   1.155
  223   1HD1  LEU  26          3HD1      LEU  26  -2.820  -4.402   1.571
  224   2HD1  LEU  26          2HD1      LEU  26  -3.239  -4.875   3.217
  225   3HD1  LEU  26          1HD1      LEU  26  -1.547  -4.787   2.728
  226   1HD2  LEU  26          1HD2      LEU  26  -2.267  -8.430   2.815
  227   2HD2  LEU  26          3HD2      LEU  26  -1.122  -7.199   3.352
  228   3HD2  LEU  26          2HD2      LEU  26  -2.769  -7.205   3.982
  229    H    LYS  27           H        LYS  27  -5.903  -9.382   2.038
  230    HA   LYS  27           HA       LYS  27  -7.860  -9.228  -0.141
  231   1HB   LYS  27           HB2      LYS  27  -8.140 -10.898   2.345
  232   2HB   LYS  27           HB3      LYS  27  -8.967 -11.085   0.807
  233   1HG   LYS  27           HG2      LYS  27  -6.766 -11.649  -0.229
  234   2HG   LYS  27           HG3      LYS  27  -6.073 -11.650   1.395
  235   1HD   LYS  27           HD2      LYS  27  -6.604 -13.913   0.799
  236   2HD   LYS  27           HD3      LYS  27  -7.737 -13.382   2.044
  237   1HE   LYS  27           HE2      LYS  27  -9.417 -12.934   0.322
  238   2HE   LYS  27           HE3      LYS  27  -8.285 -13.467  -0.921
  239   1HZ   LYS  27           HZ2      LYS  27  -9.350 -15.155   1.277
  240   2HZ   LYS  27           HZ1      LYS  27  -9.847 -15.213  -0.339
  241   3HZ   LYS  27           HZ3      LYS  27  -8.270 -15.664   0.079
  242    H    GLY  28           H        GLY  28 -10.135  -8.883   0.497
  243   1HA   GLY  28           HA3      GLY  28 -10.366  -6.451   1.938
  244   2HA   GLY  28           HA2      GLY  28 -10.960  -7.787   2.909
  245    H    ASN  29           H        ASN  29 -12.301  -5.436   1.610
  246    HA   ASN  29           HA       ASN  29 -13.898  -6.320  -0.536
  247   1HB   ASN  29           HB2      ASN  29 -14.808  -7.875   1.134
  248   2HB   ASN  29           HB3      ASN  29 -15.200  -6.521   2.189
  249   1HD2  ASN  29          1HD2      ASN  29 -17.379  -7.058   2.193
  250   2HD2  ASN  29          2HD2      ASN  29 -18.398  -6.769   0.828
  251    HA   PRO  30           HA       PRO  30 -13.792  -1.750  -0.047
  252   1HB   PRO  30           HB2      PRO  30 -15.041  -2.150  -2.728
  253   2HB   PRO  30           HB3      PRO  30 -13.780  -1.014  -2.234
  254   1HG   PRO  30           HG2      PRO  30 -13.176  -3.208  -3.618
  255   2HG   PRO  30           HG3      PRO  30 -12.117  -2.627  -2.321
  256   1HD   PRO  30           HD2      PRO  30 -13.989  -4.936  -2.347
  257   2HD   PRO  30           HD3      PRO  30 -12.445  -4.743  -1.498
  258    H    THR  31           H        THR  31 -16.395  -3.940  -0.852
  259    HA   THR  31           HA       THR  31 -18.540  -2.146  -0.867
  260    HB   THR  31           HB       THR  31 -18.581  -5.034   0.022
  261    HG1  THR  31           HG1      THR  31 -17.911  -4.025  -2.332
  262   1HG2  THR  31          2HG2      THR  31 -20.725  -3.259  -1.135
  263   2HG2  THR  31          1HG2      THR  31 -20.899  -4.974  -0.762
  264   3HG2  THR  31          3HG2      THR  31 -20.626  -3.813   0.536
  265    H    THR  32           H        THR  32 -16.898  -3.804   1.773
  266    HA   THR  32           HA       THR  32 -18.716  -3.405   3.829
  267    HB   THR  32           HB       THR  32 -16.815  -3.526   5.381
  268    HG1  THR  32           HG1      THR  32 -14.686  -3.710   4.413
  269   1HG2  THR  32          3HG2      THR  32 -17.682  -5.594   4.386
  270   2HG2  THR  32          2HG2      THR  32 -16.544  -5.427   3.049
  271   3HG2  THR  32          1HG2      THR  32 -15.948  -5.703   4.685
  272    H    GLY  33           H        GLY  33 -15.887  -1.337   3.112
  273   1HA   GLY  33           HA3      GLY  33 -17.080   0.801   4.699
  274   2HA   GLY  33           HA2      GLY  33 -16.875   1.121   2.983
  275    H    TYR  34           H        TYR  34 -14.637  -0.805   4.881
  276    HA   TYR  34           HA       TYR  34 -12.799   1.394   5.234
  277   1HB   TYR  34           HB2      TYR  34 -12.588  -1.549   5.870
  278   2HB   TYR  34           HB3      TYR  34 -11.298  -0.395   6.189
  279    HD1  TYR  34           HD1      TYR  34 -14.850  -1.145   6.985
  280    HD2  TYR  34           HD2      TYR  34 -11.280   0.849   8.188
  281    HE1  TYR  34           HE1      TYR  34 -15.879  -0.620   9.154
  282    HE2  TYR  34           HE2      TYR  34 -12.307   1.375  10.359
  283    HH   TYR  34           HH       TYR  34 -15.175  -0.075  11.442
  284    H    MET  35           H        MET  35 -10.359   0.542   4.771
  285    HA   MET  35           HA       MET  35 -10.092  -0.594   2.130
  286   1HB   MET  35           HB2      MET  35 -10.263   1.543   1.291
  287   2HB   MET  35           HB3      MET  35  -9.724   2.283   2.794
  288   1HG   MET  35           HG2      MET  35  -7.430   1.504   2.299
  289   2HG   MET  35           HG3      MET  35  -8.013   0.914   0.760
  290   1HE   MET  35           HE2      MET  35 -10.085   3.038  -0.117
  291   2HE   MET  35           HE1      MET  35  -9.155   4.260  -0.984
  292   3HE   MET  35           HE3      MET  35  -8.843   2.549  -1.269
  293    H    TRP  36           H        TRP  36  -7.938  -1.205   1.679
  294    HA   TRP  36           HA       TRP  36  -6.214  -1.274   4.056
  295   1HB   TRP  36           HB2      TRP  36  -6.822  -3.210   1.936
  296   2HB   TRP  36           HB3      TRP  36  -5.116  -3.060   2.317
  297    HD1  TRP  36           HD1      TRP  36  -7.970  -5.047   3.277
  298    HE1  TRP  36           HE1      TRP  36  -7.672  -6.095   5.609
  299    HE3  TRP  36           HE3      TRP  36  -4.053  -2.221   4.933
  300    HZ2  TRP  36           HZ2      TRP  36  -5.995  -5.762   7.856
  301    HZ3  TRP  36           HZ3      TRP  36  -3.159  -2.646   7.179
  302    HH2  TRP  36           HH2      TRP  36  -4.113  -4.379   8.612
  303    H    THR  37           H        THR  37  -5.346   0.790   3.698
  304    HA   THR  37           HA       THR  37  -3.420   0.892   1.469
  305    HB   THR  37           HB       THR  37  -5.384   2.345   0.989
  306    HG1  THR  37           HG1      THR  37  -4.087   3.891   0.197
  307   1HG2  THR  37          1HG2      THR  37  -5.921   2.928   3.315
  308   2HG2  THR  37          3HG2      THR  37  -4.435   3.872   3.418
  309   3HG2  THR  37          2HG2      THR  37  -5.720   4.367   2.314
  310    H    ARG  38           H        ARG  38  -2.235   3.391   2.210
  311    HA   ARG  38           HA       ARG  38  -0.826   2.493   4.589
  312   1HB   ARG  38           HB2      ARG  38  -0.174   4.294   2.324
  313   2HB   ARG  38           HB3      ARG  38   0.560   4.665   3.870
  314   1HG   ARG  38           HG2      ARG  38   1.637   2.578   3.978
  315   2HG   ARG  38           HG3      ARG  38   0.721   1.970   2.599
  316   1HD   ARG  38           HD2      ARG  38   3.129   2.748   2.226
  317   2HD   ARG  38           HD3      ARG  38   1.916   3.248   1.082
  318    HE   ARG  38           HE       ARG  38   1.942   5.424   2.219
  319   1HH1  ARG  38          1HH1      ARG  38   4.607   3.241   2.741
  320   2HH1  ARG  38          2HH1      ARG  38   5.742   4.500   3.089
  321   1HH2  ARG  38          1HH2      ARG  38   3.446   7.095   2.661
  322   2HH2  ARG  38          2HH2      ARG  38   5.084   6.686   3.045
  323    H    VAL  39           H        VAL  39  -0.695   3.584   6.482
  324    HA   VAL  39           HA       VAL  39  -2.851   5.058   7.384
  325    HB   VAL  39           HB       VAL  39  -0.065   5.192   8.541
  326   1HG1  VAL  39          3HG1      VAL  39  -2.781   5.549   9.803
  327   2HG1  VAL  39          2HG1      VAL  39  -1.241   5.556  10.663
  328   3HG1  VAL  39          1HG1      VAL  39  -1.600   6.819   9.486
  329   1HG2  VAL  39          3HG2      VAL  39  -0.986   2.856   8.090
  330   2HG2  VAL  39          2HG2      VAL  39  -0.463   3.213   9.736
  331   3HG2  VAL  39          1HG2      VAL  39  -2.182   3.215   9.335
  332    H    GLY  40           H        GLY  40  -3.412   7.152   7.429
  333   1HA   GLY  40           HA3      GLY  40  -1.489   9.274   7.134
  334   2HA   GLY  40           HA2      GLY  40  -3.230   9.455   7.291
  335    H    PHE  41           H        PHE  41  -1.489   7.567   4.879
  336    HA   PHE  41           HA       PHE  41  -1.891   9.535   2.809
  337   1HB   PHE  41           HB2      PHE  41  -0.913   6.685   2.584
  338   2HB   PHE  41           HB3      PHE  41  -0.719   7.960   1.385
  339    HD1  PHE  41           HD1      PHE  41   0.653   6.365   4.241
  340    HD2  PHE  41           HD2      PHE  41   0.636  10.014   2.069
  341    HE1  PHE  41           HE1      PHE  41   2.756   7.022   5.345
  342    HE2  PHE  41           HE2      PHE  41   2.742  10.682   3.155
  343    HZ   PHE  41           HZ       PHE  41   3.802   9.185   4.801
  344    H    VAL  42           H        VAL  42  -3.917   7.555   4.307
  345    HA   VAL  42           HA       VAL  42  -5.280   6.067   2.425
  346    HB   VAL  42           HB       VAL  42  -6.607   7.604   4.657
  347   1HG1  VAL  42          1HG1      VAL  42  -8.070   6.473   2.996
  348   2HG1  VAL  42          3HG1      VAL  42  -7.317   4.944   3.443
  349   3HG1  VAL  42          2HG1      VAL  42  -8.238   5.856   4.638
  350   1HG2  VAL  42          1HG2      VAL  42  -4.518   6.311   5.305
  351   2HG2  VAL  42          3HG2      VAL  42  -6.001   5.923   6.175
  352   3HG2  VAL  42          2HG2      VAL  42  -5.427   4.856   4.894
  353    H    GLY  43           H        GLY  43  -5.946   6.733   0.495
  354   1HA   GLY  43           HA3      GLY  43  -7.360   9.323   0.331
  355   2HA   GLY  43           HA2      GLY  43  -7.856   7.899  -0.572
  356    H    LYS  44           H        LYS  44  -4.490   8.278  -0.298
  357    HA   LYS  44           HA       LYS  44  -4.158   9.915  -2.644
  358   1HB   LYS  44           HB2      LYS  44  -2.149   8.375  -0.993
  359   2HB   LYS  44           HB3      LYS  44  -1.756   9.520  -2.263
  360   1HG   LYS  44           HG2      LYS  44  -2.967  11.269  -0.935
  361   2HG   LYS  44           HG3      LYS  44  -3.068  10.092   0.377
  362   1HD   LYS  44           HD2      LYS  44  -0.646   9.940   0.464
  363   2HD   LYS  44           HD3      LYS  44  -0.509  11.049  -0.902
  364   1HE   LYS  44           HE2      LYS  44  -1.620  12.794   0.441
  365   2HE   LYS  44           HE3      LYS  44  -1.663  11.683   1.811
  366   1HZ   LYS  44           HZ3      LYS  44   0.753  11.611   1.779
  367   2HZ   LYS  44           HZ2      LYS  44   0.792  12.679   0.468
  368   3HZ   LYS  44           HZ1      LYS  44   0.205  13.201   1.966
  369    H    ASP  45           H        ASP  45  -1.959   8.661  -3.838
  370    HA   ASP  45           HA       ASP  45  -3.240   6.302  -5.053
  371   1HB   ASP  45           HB2      ASP  45  -3.034   8.274  -6.553
  372   2HB   ASP  45           HB3      ASP  45  -1.289   8.218  -6.341
  373    H    VAL  46           H        VAL  46  -0.025   7.744  -4.595
  374    HA   VAL  46           HA       VAL  46   1.246   5.144  -4.745
  375    HB   VAL  46           HB       VAL  46   2.520   7.794  -4.078
  376   1HG1  VAL  46          3HG1      VAL  46   3.854   5.822  -3.517
  377   2HG1  VAL  46          2HG1      VAL  46   3.683   5.234  -5.170
  378   3HG1  VAL  46          1HG1      VAL  46   4.570   6.725  -4.852
  379   1HG2  VAL  46          3HG2      VAL  46   1.324   7.913  -6.207
  380   2HG2  VAL  46          2HG2      VAL  46   3.073   7.983  -6.431
  381   3HG2  VAL  46          1HG2      VAL  46   2.198   6.490  -6.772
  382    H    LEU  47           H        LEU  47   0.520   7.569  -2.325
  383    HA   LEU  47           HA       LEU  47   0.380   7.443  -0.064
  384   1HB   LEU  47           HB2      LEU  47   1.411   4.642  -0.103
  385   2HB   LEU  47           HB3      LEU  47   0.378   5.412   1.074
  386    HG   LEU  47           HG       LEU  47  -0.483   4.721  -1.732
  387   1HD1  LEU  47          3HD1      LEU  47  -0.967   3.264   0.863
  388   2HD1  LEU  47          2HD1      LEU  47  -1.763   2.903  -0.670
  389   3HD1  LEU  47          1HD1      LEU  47  -0.019   2.688  -0.509
  390   1HD2  LEU  47          3HD2      LEU  47  -2.034   5.639   0.684
  391   2HD2  LEU  47          2HD2      LEU  47  -1.736   6.566  -0.787
  392   3HD2  LEU  47          1HD2      LEU  47  -2.741   5.117  -0.846
  393    H    SER  48           H        SER  48   3.202   5.805  -1.439
  394    HA   SER  48           HA       SER  48   5.012   6.271   0.632
  395   1HB   SER  48           HB2      SER  48   5.510   4.735  -1.181
  396   2HB   SER  48           HB3      SER  48   5.510   6.059  -2.343
  397    HG   SER  48           HG       SER  48   7.239   6.114  -0.127
  398    H    ASP  49           H        ASP  49   7.164   7.633  -0.138
  399    HA   ASP  49           HA       ASP  49   6.390  10.287  -1.043
  400   1HB   ASP  49           HB2      ASP  49   7.503   9.736   1.707
  401   2HB   ASP  49           HB3      ASP  49   7.538  11.328   0.954
  402    H    GLU  50           H        GLU  50   9.201   9.382   0.874
  403    HA   GLU  50           HA       GLU  50  10.884   9.498  -1.525
  404   1HB   GLU  50           HB2      GLU  50  12.428  11.001  -0.432
  405   2HB   GLU  50           HB3      GLU  50  10.817  11.709  -0.420
  406   1HG   GLU  50           HG2      GLU  50  10.518  10.983   1.897
  407   2HG   GLU  50           HG3      GLU  50  12.154  10.323   1.890
  408    H    ILE  51           H        ILE  51  10.369   8.391   1.742
  409    HA   ILE  51           HA       ILE  51  12.895   7.072   2.021
  410    HB   ILE  51           HB       ILE  51  10.366   6.566   3.578
  411   1HG1  ILE  51          2HG1      ILE  51  11.013   8.976   3.510
  412   2HG1  ILE  51          3HG1      ILE  51  11.061   8.262   5.114
  413   1HG2  ILE  51          1HG2      ILE  51  13.272   6.084   4.204
  414   2HG2  ILE  51          3HG2      ILE  51  11.955   5.915   5.365
  415   3HG2  ILE  51          2HG2      ILE  51  12.020   4.869   3.947
  416   1HD1  ILE  51          1HD1      ILE  51  13.454   8.706   3.345
  417   2HD1  ILE  51          3HD1      ILE  51  12.961   9.752   4.677
  418   3HD1  ILE  51          2HD1      ILE  51  13.470   8.094   5.000
  419    H    LEU  52           H        LEU  52   9.881   5.385   2.547
  420    HA   LEU  52           HA       LEU  52  10.905   3.154   0.968
  421   1HB   LEU  52           HB2      LEU  52   9.595   3.318   3.402
  422   2HB   LEU  52           HB3      LEU  52   8.353   2.753   2.302
  423    HG   LEU  52           HG       LEU  52  11.024   1.449   2.777
  424   1HD1  LEU  52          3HD1      LEU  52   9.467   1.176   4.635
  425   2HD1  LEU  52          2HD1      LEU  52   8.237   0.579   3.521
  426   3HD1  LEU  52          1HD1      LEU  52   9.715  -0.347   3.782
  427   1HD2  LEU  52          3HD2      LEU  52   8.741   0.678   0.976
  428   2HD2  LEU  52          2HD2      LEU  52  10.371   1.134   0.489
  429   3HD2  LEU  52          1HD2      LEU  52  10.103  -0.370   1.371
  430    H    GLU  53           H        GLU  53  10.399   3.326  -1.161
  431    HA   GLU  53           HA       GLU  53   8.170   4.642  -2.215
  432   1HB   GLU  53           HB2      GLU  53  10.346   3.514  -3.335
  433   2HB   GLU  53           HB3      GLU  53   9.164   2.259  -3.679
  434   1HG   GLU  53           HG2      GLU  53   9.015   5.147  -4.501
  435   2HG   GLU  53           HG3      GLU  53   9.305   3.756  -5.540
  436    H    VAL  54           H        VAL  54   6.142   3.884  -2.921
  437    HA   VAL  54           HA       VAL  54   5.413   1.154  -2.200
  438    HB   VAL  54           HB       VAL  54   3.854   3.513  -1.141
  439   1HG1  VAL  54          1HG1      VAL  54   3.476   0.542  -0.791
  440   2HG1  VAL  54          3HG1      VAL  54   2.565   1.790   0.059
  441   3HG1  VAL  54          2HG1      VAL  54   2.428   1.637  -1.693
  442   1HG2  VAL  54          2HG2      VAL  54   5.676   1.566   0.261
  443   2HG2  VAL  54          1HG2      VAL  54   5.874   3.311   0.128
  444   3HG2  VAL  54          3HG2      VAL  54   4.555   2.645   1.088
  445    H    VAL  55           H        VAL  55   5.084   0.759  -4.414
  446    HA   VAL  55           HA       VAL  55   3.267   2.389  -5.923
  447    HB   VAL  55           HB       VAL  55   4.164  -0.409  -6.583
  448   1HG1  VAL  55          2HG1      VAL  55   2.197   0.574  -7.792
  449   2HG1  VAL  55          1HG1      VAL  55   3.291   1.800  -8.427
  450   3HG1  VAL  55          3HG1      VAL  55   3.549   0.101  -8.823
  451   1HG2  VAL  55          3HG2      VAL  55   5.470   2.217  -7.284
  452   2HG2  VAL  55          2HG2      VAL  55   6.131   0.960  -6.237
  453   3HG2  VAL  55          1HG2      VAL  55   5.916   0.649  -7.960
  454    H    CYS  56           H        CYS  56   1.445   2.404  -4.615
  455    HA   CYS  56           HA       CYS  56   0.118  -0.003  -3.817
  456   1HB   CYS  56           HB2      CYS  56  -0.104   2.028  -2.483
  457   2HB   CYS  56           HB3      CYS  56  -0.851   2.858  -3.840
  458    HG   CYS  56           HG       CYS  56  -2.355   1.362  -1.466
  459    H    LYS  57           H        LYS  57  -1.338  -1.149  -4.875
  460    HA   LYS  57           HA       LYS  57  -2.607   0.012  -7.252
  461   1HB   LYS  57           HB2      LYS  57  -1.552  -2.791  -7.026
  462   2HB   LYS  57           HB3      LYS  57  -2.316  -2.077  -8.432
  463   1HG   LYS  57           HG2      LYS  57  -0.455  -0.495  -8.634
  464   2HG   LYS  57           HG3      LYS  57   0.317  -1.241  -7.234
  465   1HD   LYS  57           HD2      LYS  57   1.325  -2.128  -9.226
  466   2HD   LYS  57           HD3      LYS  57   0.356  -3.397  -8.474
  467   1HE   LYS  57           HE2      LYS  57  -1.458  -2.947 -10.052
  468   2HE   LYS  57           HE3      LYS  57  -0.495  -1.673 -10.800
  469   1HZ   LYS  57           HZ3      LYS  57   1.149  -3.336 -11.422
  470   2HZ   LYS  57           HZ2      LYS  57   0.216  -4.555 -10.714
  471   3HZ   LYS  57           HZ1      LYS  57  -0.369  -3.721 -12.063
  472    H    TYR  58           H        TYR  58  -4.185   0.298  -5.435
  473    HA   TYR  58           HA       TYR  58  -5.595  -1.893  -4.352
  474   1HB   TYR  58           HB2      TYR  58  -5.648   0.467  -3.468
  475   2HB   TYR  58           HB3      TYR  58  -6.653   0.904  -4.844
  476    HD1  TYR  58           HD1      TYR  58  -7.120   0.984  -1.714
  477    HD2  TYR  58           HD2      TYR  58  -8.410  -1.611  -4.849
  478    HE1  TYR  58           HE1      TYR  58  -9.148   0.417  -0.437
  479    HE2  TYR  58           HE2      TYR  58 -10.418  -2.194  -3.572
  480    HH   TYR  58           HH       TYR  58 -11.415  -0.425  -0.843
  481    H    THR  59           H        THR  59  -6.404  -3.381  -5.710
  482    HA   THR  59           HA       THR  59  -7.910  -2.472  -8.067
  483    HB   THR  59           HB       THR  59  -6.924  -5.270  -7.479
  484    HG1  THR  59           HG1      THR  59  -5.102  -4.052  -7.798
  485   1HG2  THR  59          2HG2      THR  59  -8.806  -5.137  -9.048
  486   2HG2  THR  59          1HG2      THR  59  -7.906  -3.984 -10.032
  487   3HG2  THR  59          3HG2      THR  59  -7.325  -5.640  -9.863
  488    HA   PRO  60           HA       PRO  60 -11.445  -4.052  -5.770
  489   1HB   PRO  60           HB2      PRO  60 -13.207  -2.293  -6.678
  490   2HB   PRO  60           HB3      PRO  60 -11.918  -1.776  -5.590
  491   1HG   PRO  60           HG2      PRO  60 -12.217  -1.351  -8.515
  492   2HG   PRO  60           HG3      PRO  60 -11.408  -0.337  -7.308
  493   1HD   PRO  60           HD2      PRO  60 -10.228  -2.243  -9.075
  494   2HD   PRO  60           HD3      PRO  60  -9.425  -1.276  -7.821
  495    H    THR  61           H        THR  61 -10.524  -5.414  -8.121
  496    HA   THR  61           HA       THR  61 -12.017  -5.654 -10.332
  497    HB   THR  61           HB       THR  61 -11.569  -8.243  -8.947
  498    HG1  THR  61           HG1      THR  61  -9.626  -7.670  -8.340
  499   1HG2  THR  61          2HG2      THR  61 -10.869  -7.122 -11.659
  500   2HG2  THR  61          1HG2      THR  61 -10.455  -8.751 -11.122
  501   3HG2  THR  61          3HG2      THR  61 -12.146  -8.277 -11.278
  502    HA   PRO  62           HA       PRO  62 -16.298  -6.259  -9.391
  503   1HB   PRO  62           HB2      PRO  62 -16.165  -8.244 -11.615
  504   2HB   PRO  62           HB3      PRO  62 -17.299  -6.912 -11.362
  505   1HG   PRO  62           HG2      PRO  62 -15.340  -6.695 -13.148
  506   2HG   PRO  62           HG3      PRO  62 -15.794  -5.316 -12.129
  507   1HD   PRO  62           HD2      PRO  62 -13.429  -7.122 -11.931
  508   2HD   PRO  62           HD3      PRO  62 -13.561  -5.387 -11.580
  509    H    SER  63           H        SER  63 -17.530  -7.632  -8.200
  510    HA   SER  63           HA       SER  63 -16.255 -10.085  -7.287
  511   1HB   SER  63           HB2      SER  63 -17.100  -8.546  -5.587
  512   2HB   SER  63           HB3      SER  63 -18.718  -8.634  -6.286
  513    HG   SER  63           HG       SER  63 -18.895 -10.723  -5.621
  514    H    SER  64           H        SER  64 -17.873 -11.924  -6.769
  515    HA   SER  64           HA       SER  64 -19.253 -12.542  -9.266
  516   1HB   SER  64           HB2      SER  64 -18.549 -14.310  -6.910
  517   2HB   SER  64           HB3      SER  64 -19.292 -14.863  -8.412
  518    HG   SER  64           HG       SER  64 -17.388 -14.896  -9.276
  519    H    THR  65           H        THR  65 -20.264 -10.775  -6.988
  520    HA   THR  65           HA       THR  65 -22.371 -12.005  -5.637
  521    HB   THR  65           HB       THR  65 -23.355  -9.749  -5.420
  522    HG1  THR  65           HG1      THR  65 -22.881  -8.280  -6.860
  523   1HG2  THR  65          1HG2      THR  65 -20.356  -9.823  -5.065
  524   2HG2  THR  65          3HG2      THR  65 -21.457  -8.694  -4.274
  525   3HG2  THR  65          2HG2      THR  65 -21.552 -10.418  -3.913
  526    HA   PRO  66           HA       PRO  66 -25.471 -12.649  -8.720
  527   1HB   PRO  66           HB2      PRO  66 -27.733 -12.488  -7.289
  528   2HB   PRO  66           HB3      PRO  66 -26.573 -13.798  -7.028
  529   1HG   PRO  66           HG2      PRO  66 -26.893 -11.226  -5.504
  530   2HG   PRO  66           HG3      PRO  66 -26.757 -12.879  -4.869
  531   1HD   PRO  66           HD2      PRO  66 -24.649 -11.192  -4.976
  532   2HD   PRO  66           HD3      PRO  66 -24.467 -12.943  -5.211
  533    H    MET  67           H        MET  67 -24.720  -9.746  -7.713
  534    HA   MET  67           HA       MET  67 -26.605  -8.436  -9.492
  535   1HB   MET  67           HB2      MET  67 -26.934  -6.595  -7.749
  536   2HB   MET  67           HB3      MET  67 -27.810  -8.099  -7.500
  537   1HG   MET  67           HG2      MET  67 -26.134  -8.813  -5.877
  538   2HG   MET  67           HG3      MET  67 -25.246  -7.312  -6.132
  539   1HE   MET  67           HE1      MET  67 -29.151  -7.820  -5.964
  540   2HE   MET  67           HE3      MET  67 -28.534  -8.946  -4.754
  541   3HE   MET  67           HE2      MET  67 -29.457  -7.528  -4.252
  542    H    VAL  68           H        VAL  68 -25.206  -6.149  -7.516
  543    HA   VAL  68           HA       VAL  68 -23.061  -5.699  -9.472
  544    HB   VAL  68           HB       VAL  68 -24.272  -3.730  -7.526
  545   1HG1  VAL  68          2HG1      VAL  68 -22.360  -3.327  -9.823
  546   2HG1  VAL  68          1HG1      VAL  68 -23.089  -2.044  -8.857
  547   3HG1  VAL  68          3HG1      VAL  68 -21.975  -3.187  -8.108
  548   1HG2  VAL  68          3HG2      VAL  68 -24.738  -4.065 -10.486
  549   2HG2  VAL  68          2HG2      VAL  68 -25.899  -4.404  -9.203
  550   3HG2  VAL  68          1HG2      VAL  68 -25.363  -2.748  -9.492
  551    H    GLY  69           H        GLY  69 -21.020  -6.016  -8.876
  552   1HA   GLY  69           HA3      GLY  69 -19.948  -7.171  -6.785
  553   2HA   GLY  69           HA2      GLY  69 -20.260  -5.593  -6.077
  554    H    VAL  70           H        VAL  70 -18.332  -4.659  -5.850
  555    HA   VAL  70           HA       VAL  70 -16.362  -4.876  -8.009
  556    HB   VAL  70           HB       VAL  70 -17.090  -2.224  -6.755
  557   1HG1  VAL  70          2HG1      VAL  70 -14.768  -2.399  -7.487
  558   2HG1  VAL  70          1HG1      VAL  70 -15.303  -2.904  -9.089
  559   3HG1  VAL  70          3HG1      VAL  70 -15.672  -1.280  -8.507
  560   1HG2  VAL  70          3HG2      VAL  70 -18.926  -2.989  -8.155
  561   2HG2  VAL  70          2HG2      VAL  70 -18.084  -1.640  -8.917
  562   3HG2  VAL  70          1HG2      VAL  70 -17.807  -3.288  -9.485
  563    H    GLY  71           H        GLY  71 -15.413  -6.327  -6.387
  564   1HA   GLY  71           HA3      GLY  71 -14.691  -6.127  -3.892
  565   2HA   GLY  71           HA2      GLY  71 -13.730  -4.804  -4.533
  566    H    GLY  72           H        GLY  72 -11.681  -5.374  -4.715
  567   1HA   GLY  72           HA3      GLY  72 -10.172  -6.709  -6.184
  568   2HA   GLY  72           HA2      GLY  72 -11.061  -8.116  -5.629
  569    H    ILE  73           H        ILE  73  -8.337  -6.299  -5.189
  570    HA   ILE  73           HA       ILE  73  -8.023  -6.955  -2.367
  571    HB   ILE  73           HB       ILE  73  -5.770  -7.889  -2.785
  572   1HG1  ILE  73          2HG1      ILE  73  -6.544  -8.423  -5.617
  573   2HG1  ILE  73          3HG1      ILE  73  -5.761  -6.900  -5.193
  574   1HG2  ILE  73          3HG2      ILE  73  -7.762  -9.298  -2.359
  575   2HG2  ILE  73          2HG2      ILE  73  -7.906  -9.524  -4.104
  576   3HG2  ILE  73          1HG2      ILE  73  -6.469 -10.101  -3.253
  577   1HD1  ILE  73          1HD1      ILE  73  -3.902  -8.170  -4.198
  578   2HD1  ILE  73          3HD1      ILE  73  -4.672  -9.666  -4.728
  579   3HD1  ILE  73          2HD1      ILE  73  -4.111  -8.493  -5.922
  580    H    TYR  74           H        TYR  74  -5.322  -6.409  -2.162
  581    HA   TYR  74           HA       TYR  74  -5.026  -3.680  -3.194
  582   1HB   TYR  74           HB2      TYR  74  -4.171  -4.326  -0.396
  583   2HB   TYR  74           HB3      TYR  74  -4.606  -2.771  -1.097
  584    HD1  TYR  74           HD1      TYR  74  -6.003  -5.981   0.129
  585    HD2  TYR  74           HD2      TYR  74  -6.823  -1.951  -0.957
  586    HE1  TYR  74           HE1      TYR  74  -8.256  -6.193   1.075
  587    HE2  TYR  74           HE2      TYR  74  -9.082  -2.160  -0.002
  588    HH   TYR  74           HH       TYR  74 -10.708  -3.925   0.515
  589    H    VAL  75           H        VAL  75  -3.388  -4.132  -4.611
  590    HA   VAL  75           HA       VAL  75  -1.162  -5.799  -3.805
  591    HB   VAL  75           HB       VAL  75  -1.686  -4.317  -6.383
  592   1HG1  VAL  75          1HG1      VAL  75   0.523  -6.248  -5.685
  593   2HG1  VAL  75          3HG1      VAL  75   0.176  -5.639  -7.304
  594   3HG1  VAL  75          2HG1      VAL  75   0.704  -4.530  -6.039
  595   1HG2  VAL  75          3HG2      VAL  75  -3.220  -6.165  -5.993
  596   2HG2  VAL  75          2HG2      VAL  75  -2.099  -6.551  -7.299
  597   3HG2  VAL  75          1HG2      VAL  75  -1.859  -7.247  -5.697
  598    H    VAL  76           H        VAL  76   0.086  -4.800  -2.334
  599    HA   VAL  76           HA       VAL  76   0.952  -2.044  -2.862
  600    HB   VAL  76           HB       VAL  76   1.304  -3.640  -0.323
  601   1HG1  VAL  76          3HG1      VAL  76   1.586  -0.691  -0.895
  602   2HG1  VAL  76          2HG1      VAL  76   1.723  -1.445   0.694
  603   3HG1  VAL  76          1HG1      VAL  76   2.900  -1.822  -0.565
  604   1HG2  VAL  76          3HG2      VAL  76  -1.068  -3.333  -0.810
  605   2HG2  VAL  76          2HG2      VAL  76  -0.573  -2.357   0.572
  606   3HG2  VAL  76          1HG2      VAL  76  -0.811  -1.599  -1.003
  607    H    LEU  77           H        LEU  77   2.843  -1.806  -3.856
  608    HA   LEU  77           HA       LEU  77   4.938  -3.832  -3.476
  609   1HB   LEU  77           HB2      LEU  77   4.603  -1.682  -5.565
  610   2HB   LEU  77           HB3      LEU  77   6.034  -2.684  -5.428
  611    HG   LEU  77           HG       LEU  77   3.233  -3.677  -6.008
  612   1HD1  LEU  77          1HD1      LEU  77   5.636  -3.404  -7.807
  613   2HD1  LEU  77          3HD1      LEU  77   4.098  -4.149  -8.245
  614   3HD1  LEU  77          2HD1      LEU  77   4.170  -2.426  -7.873
  615   1HD2  LEU  77          1HD2      LEU  77   4.935  -5.164  -4.736
  616   2HD2  LEU  77          3HD2      LEU  77   4.066  -5.827  -6.119
  617   3HD2  LEU  77          2HD2      LEU  77   5.733  -5.285  -6.304
  618    H    VAL  78           H        VAL  78   6.250  -3.338  -1.833
  619    HA   VAL  78           HA       VAL  78   6.805  -0.514  -1.295
  620    HB   VAL  78           HB       VAL  78   7.989  -2.194   0.664
  621   1HG1  VAL  78          2HG1      VAL  78   7.205   0.116   0.980
  622   2HG1  VAL  78          1HG1      VAL  78   5.537  -0.426   0.787
  623   3HG1  VAL  78          3HG1      VAL  78   6.494  -0.978   2.163
  624   1HG2  VAL  78          1HG2      VAL  78   6.411  -3.914  -0.132
  625   2HG2  VAL  78          3HG2      VAL  78   6.096  -3.408   1.526
  626   3HG2  VAL  78          2HG2      VAL  78   5.078  -2.813   0.214
  627    H    LYS  79           H        LYS  79   8.504   0.239  -2.338
  628    HA   LYS  79           HA       LYS  79  10.911  -1.441  -2.564
  629   1HB   LYS  79           HB2      LYS  79   9.670   0.583  -4.376
  630   2HB   LYS  79           HB3      LYS  79  11.413   0.367  -4.418
  631   1HG   LYS  79           HG2      LYS  79  11.077  -2.030  -4.881
  632   2HG   LYS  79           HG3      LYS  79   9.325  -1.756  -4.920
  633   1HD   LYS  79           HD2      LYS  79  11.329  -0.389  -6.722
  634   2HD   LYS  79           HD3      LYS  79  10.375  -1.803  -7.172
  635   1HE   LYS  79           HE2      LYS  79   8.317  -0.522  -6.803
  636   2HE   LYS  79           HE3      LYS  79   9.279   0.892  -6.376
  637   1HZ   LYS  79           HZ2      LYS  79  10.220   0.877  -8.602
  638   2HZ   LYS  79           HZ1      LYS  79   9.291  -0.476  -9.011
  639   3HZ   LYS  79           HZ3      LYS  79   8.535   0.997  -8.665
  640    HA   PRO  80           HA       PRO  80  12.227   1.700   0.519
  641   1HB   PRO  80           HB2      PRO  80  14.686   0.401   0.824
  642   2HB   PRO  80           HB3      PRO  80  13.266   0.203   1.852
  643   1HG   PRO  80           HG2      PRO  80  14.249  -1.506  -0.376
  644   2HG   PRO  80           HG3      PRO  80  13.419  -1.972   1.119
  645   1HD   PRO  80           HD2      PRO  80  12.157  -1.939  -1.255
  646   2HD   PRO  80           HD3      PRO  80  11.327  -1.500   0.254
  647    H    ARG  81           H        ARG  81  12.647   3.503  -0.626
  648    HA   ARG  81           HA       ARG  81  14.436   3.625  -2.821
  649   1HB   ARG  81           HB2      ARG  81  12.918   5.616  -1.207
  650   2HB   ARG  81           HB3      ARG  81  14.207   6.186  -2.249
  651   1HG   ARG  81           HG2      ARG  81  13.127   5.360  -4.187
  652   2HG   ARG  81           HG3      ARG  81  11.960   4.449  -3.224
  653   1HD   ARG  81           HD2      ARG  81  11.017   6.512  -2.375
  654   2HD   ARG  81           HD3      ARG  81  12.212   7.453  -3.268
  655    HE   ARG  81           HE       ARG  81  10.663   5.741  -4.959
  656   1HH1  ARG  81          1HH1      ARG  81  10.705   8.817  -3.325
  657   2HH1  ARG  81          2HH1      ARG  81   9.590   9.560  -4.421
  658   1HH2  ARG  81          1HH2      ARG  81   9.194   6.710  -6.408
  659   2HH2  ARG  81          2HH2      ARG  81   8.731   8.362  -6.174
  660    H    LYS  82           H        LYS  82  14.771   4.110   0.612
  661    HA   LYS  82           HA       LYS  82  17.619   4.748   0.206
  662   1HB   LYS  82           HB2      LYS  82  15.931   5.676   2.533
  663   2HB   LYS  82           HB3      LYS  82  17.583   6.149   2.162
  664   1HG   LYS  82           HG2      LYS  82  16.794   7.256   0.118
  665   2HG   LYS  82           HG3      LYS  82  15.137   6.810   0.535
  666   1HD   LYS  82           HD2      LYS  82  15.338   8.095   2.624
  667   2HD   LYS  82           HD3      LYS  82  16.968   8.579   2.152
  668   1HE   LYS  82           HE2      LYS  82  16.049   9.658   0.145
  669   2HE   LYS  82           HE3      LYS  82  14.424   9.204   0.656
  670   1HZ   LYS  82           HZ1      LYS  82  16.272  10.982   2.154
  671   2HZ   LYS  82           HZ3      LYS  82  14.935  11.488   1.249
  672   3HZ   LYS  82           HZ2      LYS  82  14.710  10.551   2.640
  673    H    ARG  83           H        ARG  83  18.705   4.425   2.574
  674    HA   ARG  83           HA       ARG  83  17.969   1.693   3.401
  675   1HB   ARG  83           HB2      ARG  83  20.722   2.928   3.493
  676   2HB   ARG  83           HB3      ARG  83  20.301   1.255   3.826
  677   1HG   ARG  83           HG2      ARG  83  19.822   0.818   1.558
  678   2HG   ARG  83           HG3      ARG  83  19.844   2.536   1.149
  679   1HD   ARG  83           HD2      ARG  83  22.231   2.627   1.659
  680   2HD   ARG  83           HD3      ARG  83  22.213   0.913   2.069
  681    HE   ARG  83           HE       ARG  83  21.253   0.970  -0.465
  682   1HH1  ARG  83          1HH1      ARG  83  24.115   2.245   1.058
  683   2HH1  ARG  83          2HH1      ARG  83  25.089   2.114  -0.368
  684   1HH2  ARG  83          1HH2      ARG  83  22.527   0.795  -2.348
  685   2HH2  ARG  83          2HH2      ARG  83  24.186   1.291  -2.305
  686    H    GLY  84           H        GLY  84  17.982   1.193   5.581
  687   1HA   GLY  84           HA3      GLY  84  17.975   3.532   7.368
  688   2HA   GLY  84           HA2      GLY  84  18.919   2.115   7.804
  689    H    HIS  85           H        HIS  85  16.258   3.614   8.655
  690    HA   HIS  85           HA       HIS  85  14.853   1.110   9.283
  691   1HB   HIS  85           HB2      HIS  85  14.725   3.790  10.677
  692   2HB   HIS  85           HB3      HIS  85  13.847   2.343  11.161
  693    HD1  HIS  85           HD1      HIS  85  17.089   4.036  11.500
  694    HD2  HIS  85           HD2      HIS  85  15.538   0.241  12.178
  695    HE1  HIS  85           HE1      HIS  85  18.772   2.872  12.962
  696    HE2  HIS  85           HE2      HIS  85  17.771   0.608  13.429
  697    H    HIS  86           H        HIS  86  13.592   0.913   7.458
  698    HA   HIS  86           HA       HIS  86  11.670   3.078   6.933
  699   1HB   HIS  86           HB2      HIS  86  12.478   0.761   5.159
  700   2HB   HIS  86           HB3      HIS  86  11.328   2.025   4.734
  701    HD1  HIS  86           HD1      HIS  86  14.218   3.337   6.539
  702    HD2  HIS  86           HD2      HIS  86  13.224   2.522   2.590
  703    HE1  HIS  86           HE1      HIS  86  15.896   4.593   5.152
  704    HE2  HIS  86           HE2      HIS  86  15.197   4.181   2.768
  705    H    THR  87           H        THR  87   9.457   2.329   6.264
  706    HA   THR  87           HA       THR  87   8.613  -0.271   7.163
  707    HB   THR  87           HB       THR  87   7.688   2.156   8.712
  708    HG1  THR  87           HG1      THR  87   9.136  -0.097   9.673
  709   1HG2  THR  87          1HG2      THR  87   6.979  -0.765   8.998
  710   2HG2  THR  87          3HG2      THR  87   6.472   0.526  10.087
  711   3HG2  THR  87          2HG2      THR  87   5.913   0.511   8.414
  712    H    LEU  88           H        LEU  88   6.355  -0.685   6.778
  713    HA   LEU  88           HA       LEU  88   5.124   1.207   4.887
  714   1HB   LEU  88           HB2      LEU  88   5.826  -0.756   3.695
  715   2HB   LEU  88           HB3      LEU  88   5.092  -1.806   4.888
  716    HG   LEU  88           HG       LEU  88   2.854  -0.897   4.212
  717   1HD1  LEU  88          2HD1      LEU  88   4.466   0.373   2.009
  718   2HD1  LEU  88          1HD1      LEU  88   2.708   0.253   2.047
  719   3HD1  LEU  88          3HD1      LEU  88   3.553   1.210   3.262
  720   1HD2  LEU  88          1HD2      LEU  88   3.720  -3.034   3.368
  721   2HD2  LEU  88          3HD2      LEU  88   2.697  -2.214   2.188
  722   3HD2  LEU  88          2HD2      LEU  88   4.448  -2.184   2.008
  723    H    GLU  89           H        GLU  89   3.944   2.216   6.532
  724    HA   GLU  89           HA       GLU  89   2.319   0.810   8.368
  725   1HB   GLU  89           HB2      GLU  89   2.320   3.671   7.425
  726   2HB   GLU  89           HB3      GLU  89   1.244   3.074   8.679
  727   1HG   GLU  89           HG2      GLU  89   3.104   2.480  10.059
  728   2HG   GLU  89           HG3      GLU  89   4.242   2.933   8.793
  729    H    LEU  90           H        LEU  90   0.937  -0.624   7.370
  730    HA   LEU  90           HA       LEU  90  -1.056   0.559   5.553
  731   1HB   LEU  90           HB2      LEU  90  -0.150  -2.292   5.898
  732   2HB   LEU  90           HB3      LEU  90  -1.618  -1.874   5.042
  733    HG   LEU  90           HG       LEU  90   1.176  -1.026   4.277
  734   1HD1  LEU  90          2HD1      LEU  90  -0.734  -2.997   3.036
  735   2HD1  LEU  90          1HD1      LEU  90   0.794  -2.476   2.326
  736   3HD1  LEU  90          3HD1      LEU  90   0.786  -3.373   3.845
  737   1HD2  LEU  90          1HD2      LEU  90  -1.469  -0.503   2.929
  738   2HD2  LEU  90          3HD2      LEU  90  -0.428   0.697   3.695
  739   3HD2  LEU  90          2HD2      LEU  90   0.115  -0.145   2.244
  740    H    VAL  91           H        VAL  91  -3.074   0.794   6.241
  741    HA   VAL  91           HA       VAL  91  -3.938  -0.728   8.606
  742    HB   VAL  91           HB       VAL  91  -3.234   1.512   9.318
  743   1HG1  VAL  91          3HG1      VAL  91  -5.302   2.470   7.343
  744   2HG1  VAL  91          2HG1      VAL  91  -4.543   3.486   8.569
  745   3HG1  VAL  91          1HG1      VAL  91  -3.562   2.760   7.296
  746   1HG2  VAL  91          1HG2      VAL  91  -6.213   1.068   9.419
  747   2HG2  VAL  91          3HG2      VAL  91  -5.012   0.465  10.561
  748   3HG2  VAL  91          2HG2      VAL  91  -5.325   2.196  10.441
  749    H    TYR  92           H        TYR  92  -6.232  -0.893   8.867
  750    HA   TYR  92           HA       TYR  92  -7.694  -0.826   6.328
  751   1HB   TYR  92           HB2      TYR  92  -7.484  -2.924   7.837
  752   2HB   TYR  92           HB3      TYR  92  -8.652  -2.117   8.876
  753    HD1  TYR  92           HD1      TYR  92 -10.609  -3.350   8.687
  754    HD2  TYR  92           HD2      TYR  92  -8.494  -2.284   5.151
  755    HE1  TYR  92           HE1      TYR  92 -12.443  -4.258   7.324
  756    HE2  TYR  92           HE2      TYR  92 -10.323  -3.188   3.779
  757    HH   TYR  92           HH       TYR  92 -12.154  -4.817   3.990
  758    H    THR  93           H        THR  93  -8.222   1.375   6.268
  759    HA   THR  93           HA       THR  93 -10.030   2.323   8.404
  760    HB   THR  93           HB       THR  93  -7.964   3.575   8.451
  761    HG1  THR  93           HG1      THR  93  -9.680   5.348   7.109
  762   1HG2  THR  93          3HG2      THR  93  -8.395   3.629   5.513
  763   2HG2  THR  93          2HG2      THR  93  -7.657   5.054   6.251
  764   3HG2  THR  93          1HG2      THR  93  -6.899   3.469   6.435
  765    H    ARG  94           H        ARG  94 -11.459   4.144   7.680
  766    HA   ARG  94           HA       ARG  94 -12.616   3.498   5.063
  767   1HB   ARG  94           HB2      ARG  94 -13.788   5.010   7.406
  768   2HB   ARG  94           HB3      ARG  94 -14.625   4.683   5.895
  769   1HG   ARG  94           HG2      ARG  94 -14.430   2.268   6.341
  770   2HG   ARG  94           HG3      ARG  94 -13.671   2.642   7.889
  771   1HD   ARG  94           HD2      ARG  94 -16.045   2.160   8.169
  772   2HD   ARG  94           HD3      ARG  94 -15.676   3.830   8.601
  773    HE   ARG  94           HE       ARG  94 -16.450   3.795   5.925
  774   1HH1  ARG  94          1HH1      ARG  94 -17.829   3.162   9.062
  775   2HH1  ARG  94          2HH1      ARG  94 -19.434   3.609   8.589
  776   1HH2  ARG  94          1HH2      ARG  94 -18.560   4.386   5.294
  777   2HH2  ARG  94          2HH2      ARG  94 -19.849   4.304   6.448
  778    HA   PRO  95           HA       PRO  95 -10.244   7.240   3.823
  779   1HB   PRO  95           HB2      PRO  95 -11.875   6.497   1.422
  780   2HB   PRO  95           HB3      PRO  95 -10.196   7.041   1.511
  781   1HG   PRO  95           HG2      PRO  95 -10.756   4.461   1.181
  782   2HG   PRO  95           HG3      PRO  95  -9.430   4.969   2.241
  783   1HD   PRO  95           HD2      PRO  95 -12.110   3.901   2.943
  784   2HD   PRO  95           HD3      PRO  95 -10.570   3.760   3.811
  785    H    PHE  96           H        PHE  96 -13.678   6.541   3.484
  786    HA   PHE  96           HA       PHE  96 -14.467   9.200   2.884
  787   1HB   PHE  96           HB2      PHE  96 -16.029   6.831   3.920
  788   2HB   PHE  96           HB3      PHE  96 -16.730   8.317   3.313
  789    HD1  PHE  96           HD1      PHE  96 -17.051   8.672   1.009
  790    HD2  PHE  96           HD2      PHE  96 -14.707   5.386   2.360
  791    HE1  PHE  96           HE1      PHE  96 -17.022   7.757  -1.275
  792    HE2  PHE  96           HE2      PHE  96 -14.673   4.466   0.079
  793    HZ   PHE  96           HZ       PHE  96 -15.833   5.652  -1.743
  794    H    GLU  97           H        GLU  97 -14.311   7.254   5.837
  795    HA   GLU  97           HA       GLU  97 -15.252   9.528   7.418
  796   1HB   GLU  97           HB2      GLU  97 -14.674   6.678   8.252
  797   2HB   GLU  97           HB3      GLU  97 -15.355   7.927   9.286
  798   1HG   GLU  97           HG2      GLU  97 -16.635   6.812   6.801
  799   2HG   GLU  97           HG3      GLU  97 -17.067   6.406   8.462
  800    H    GLY  98           H        GLY  98 -12.818   7.052   8.166
  801   1HA   GLY  98           HA3      GLY  98 -11.209   8.975   9.580
  802   2HA   GLY  98           HA2      GLY  98 -10.479   8.451   8.068
  803    H    ILE  99           H        ILE  99  -8.863   7.825   9.808
  804    HA   ILE  99           HA       ILE  99  -9.124   4.965  10.173
  805    HB   ILE  99           HB       ILE  99  -6.767   6.582  11.060
  806   1HG1  ILE  99          2HG1      ILE  99  -6.977   5.520   8.263
  807   2HG1  ILE  99          3HG1      ILE  99  -7.643   7.108   8.642
  808   1HG2  ILE  99          1HG2      ILE  99  -7.274   3.761  10.163
  809   2HG2  ILE  99          3HG2      ILE  99  -5.647   4.446  10.165
  810   3HG2  ILE  99          2HG2      ILE  99  -6.559   4.334  11.671
  811   1HD1  ILE  99          2HD1      ILE  99  -5.438   7.810   9.449
  812   2HD1  ILE  99          1HD1      ILE  99  -4.787   6.230   9.012
  813   3HD1  ILE  99          3HD1      ILE  99  -5.405   7.307   7.758
  814    H    LYS 100           H        LYS 100  -8.807   3.885  12.161
  815    HA   LYS 100           HA       LYS 100  -8.987   5.472  14.602
  816   1HB   LYS 100           HB2      LYS 100 -10.999   3.363  13.827
  817   2HB   LYS 100           HB3      LYS 100 -10.915   4.147  15.387
  818   1HG   LYS 100           HG2      LYS 100 -11.491   6.264  14.445
  819   2HG   LYS 100           HG3      LYS 100 -11.344   5.629  12.804
  820   1HD   LYS 100           HD2      LYS 100 -13.281   4.377  14.705
  821   2HD   LYS 100           HD3      LYS 100 -13.699   5.894  13.907
  822   1HE   LYS 100           HE2      LYS 100 -13.396   4.890  11.735
  823   2HE   LYS 100           HE3      LYS 100 -12.821   3.393  12.471
  824   1HZ   LYS 100           HZ1      LYS 100 -15.001   3.097  13.475
  825   2HZ   LYS 100           HZ3      LYS 100 -15.551   4.528  12.759
  826   3HZ   LYS 100           HZ2      LYS 100 -15.126   3.207  11.792
  827    HA   PRO 101           HA       PRO 101  -6.543   2.370  16.539
  828   1HB   PRO 101           HB2      PRO 101  -8.528   2.085  18.711
  829   2HB   PRO 101           HB3      PRO 101  -6.845   2.612  18.790
  830   1HG   PRO 101           HG2      PRO 101  -8.860   4.348  19.096
  831   2HG   PRO 101           HG3      PRO 101  -7.368   4.803  18.255
  832   1HD   PRO 101           HD2      PRO 101 -10.039   4.057  17.120
  833   2HD   PRO 101           HD3      PRO 101  -8.912   5.329  16.610
  834    H    GLU 102           H        GLU 102 -10.005   1.603  16.838
  835    HA   GLU 102           HA       GLU 102  -9.760  -1.151  17.142
  836   1HB   GLU 102           HB2      GLU 102 -12.112  -1.238  16.291
  837   2HB   GLU 102           HB3      GLU 102 -11.849  -0.111  17.615
  838   1HG   GLU 102           HG2      GLU 102 -11.726   1.724  16.025
  839   2HG   GLU 102           HG3      GLU 102 -12.000   0.594  14.703
  840    H    ASN 103           H        ASN 103  -9.618   0.839  14.293
  841    HA   ASN 103           HA       ASN 103 -10.128  -1.003  12.287
  842   1HB   ASN 103           HB2      ASN 103  -8.197   1.316  12.369
  843   2HB   ASN 103           HB3      ASN 103  -8.522   0.393  10.907
  844   1HD2  ASN 103          1HD2      ASN 103 -11.048   0.896  13.213
  845   2HD2  ASN 103          2HD2      ASN 103 -11.943   2.049  12.292
  846    H    GLU 104           H        GLU 104  -8.875  -2.446  11.100
  847    HA   GLU 104           HA       GLU 104  -6.999  -3.957  12.504
  848   1HB   GLU 104           HB2      GLU 104  -8.189  -3.932   9.840
  849   2HB   GLU 104           HB3      GLU 104  -6.553  -4.561   9.863
  850   1HG   GLU 104           HG2      GLU 104  -7.885  -6.435  10.178
  851   2HG   GLU 104           HG3      GLU 104  -7.335  -6.025  11.800
  852    H    ARG 105           H        ARG 105  -4.765  -4.439  11.736
  853    HA   ARG 105           HA       ARG 105  -3.388  -2.035  10.743
  854   1HB   ARG 105           HB2      ARG 105  -3.190  -2.124  13.193
  855   2HB   ARG 105           HB3      ARG 105  -2.539  -3.748  13.088
  856   1HG   ARG 105           HG2      ARG 105  -0.595  -2.588  13.321
  857   2HG   ARG 105           HG3      ARG 105  -0.748  -2.554  11.560
  858   1HD   ARG 105           HD2      ARG 105  -0.223  -0.342  12.317
  859   2HD   ARG 105           HD3      ARG 105  -1.892  -0.364  11.744
  860    HE   ARG 105           HE       ARG 105  -1.907  -0.869  14.490
  861   1HH1  ARG 105          1HH1      ARG 105  -1.143   1.722  12.287
  862   2HH1  ARG 105          2HH1      ARG 105  -1.544   2.973  13.415
  863   1HH2  ARG 105          1HH2      ARG 105  -2.438   0.773  15.982
  864   2HH2  ARG 105          2HH2      ARG 105  -2.280   2.434  15.516
  865    H    TYR 106           H        TYR 106  -1.210  -2.459   9.954
  866    HA   TYR 106           HA       TYR 106  -0.129  -5.023   9.582
  867   1HB   TYR 106           HB2      TYR 106  -2.044  -5.238   8.010
  868   2HB   TYR 106           HB3      TYR 106  -1.414  -3.870   7.094
  869    HD1  TYR 106           HD1      TYR 106  -0.819  -7.356   8.096
  870    HD2  TYR 106           HD2      TYR 106   0.411  -4.169   5.567
  871    HE1  TYR 106           HE1      TYR 106   0.543  -8.924   6.797
  872    HE2  TYR 106           HE2      TYR 106   1.782  -5.730   4.258
  873    HH   TYR 106           HH       TYR 106   1.511  -9.099   4.538
  874    H    THR 107           H        THR 107   1.372  -3.446  10.543
  875    HA   THR 107           HA       THR 107   2.563  -1.537   8.694
  876    HB   THR 107           HB       THR 107   3.715  -2.001  11.401
  877    HG1  THR 107           HG1      THR 107   2.024  -0.902  12.386
  878   1HG2  THR 107          3HG2      THR 107   4.472  -0.255   9.721
  879   2HG2  THR 107          2HG2      THR 107   2.947   0.567  10.036
  880   3HG2  THR 107          1HG2      THR 107   4.108   0.331  11.342
  881    H    LEU 108           H        LEU 108   3.614  -2.865   7.193
  882    HA   LEU 108           HA       LEU 108   5.378  -4.959   7.993
  883   1HB   LEU 108           HB2      LEU 108   4.300  -4.981   5.808
  884   2HB   LEU 108           HB3      LEU 108   5.131  -3.508   5.360
  885    HG   LEU 108           HG       LEU 108   7.257  -4.635   5.314
  886   1HD1  LEU 108          1HD1      LEU 108   5.782  -7.068   6.309
  887   2HD1  LEU 108          3HD1      LEU 108   7.470  -7.025   5.798
  888   3HD1  LEU 108          2HD1      LEU 108   6.955  -6.114   7.218
  889   1HD2  LEU 108          1HD2      LEU 108   5.146  -6.280   3.935
  890   2HD2  LEU 108          3HD2      LEU 108   5.907  -4.818   3.308
  891   3HD2  LEU 108          2HD2      LEU 108   6.866  -6.279   3.548
  892    H    HIS 109           H        HIS 109   6.903  -4.197   9.399
  893    HA   HIS 109           HA       HIS 109   8.487  -1.876   8.787
  894   1HB   HIS 109           HB2      HIS 109   8.440  -3.866  11.005
  895   2HB   HIS 109           HB3      HIS 109   9.828  -2.805  10.811
  896    HD1  HIS 109           HD1      HIS 109   9.609  -0.476  11.706
  897    HD2  HIS 109           HD2      HIS 109   5.961  -2.452  11.492
  898    HE1  HIS 109           HE1      HIS 109   7.959   1.033  12.857
  899    HE2  HIS 109           HE2      HIS 109   5.778  -0.225  12.793
  900    H    LEU 110           H        LEU 110  10.640  -1.811   8.252
  901    HA   LEU 110           HA       LEU 110  11.988  -4.272   7.483
  902   1HB   LEU 110           HB2      LEU 110  11.453  -2.015   5.551
  903   2HB   LEU 110           HB3      LEU 110  12.492  -3.386   5.228
  904    HG   LEU 110           HG       LEU 110   9.528  -3.593   5.783
  905   1HD1  LEU 110          2HD1      LEU 110  11.007  -3.615   3.157
  906   2HD1  LEU 110          1HD1      LEU 110   9.298  -3.992   3.373
  907   3HD1  LEU 110          3HD1      LEU 110   9.895  -2.370   3.723
  908   1HD2  LEU 110          1HD2      LEU 110  11.014  -5.579   6.272
  909   2HD2  LEU 110          3HD2      LEU 110   9.695  -5.851   5.133
  910   3HD2  LEU 110          2HD2      LEU 110  11.342  -5.640   4.539
  911    H    ASN 111           H        ASN 111  13.851  -4.062   8.578
  912    HA   ASN 111           HA       ASN 111  15.091  -1.484   8.969
  913   1HB   ASN 111           HB2      ASN 111  15.177  -3.153  10.767
  914   2HB   ASN 111           HB3      ASN 111  16.033  -4.266   9.708
  915   1HD2  ASN 111          1HD2      ASN 111  16.653  -0.850   9.699
  916   2HD2  ASN 111          2HD2      ASN 111  18.221  -0.927  10.419
  917    H    VAL 112           H        VAL 112  15.154  -1.227   6.586
  918    HA   VAL 112           HA       VAL 112  16.595  -2.693   4.780
  919    HB   VAL 112           HB       VAL 112  16.836   0.286   4.676
  920   1HG1  VAL 112          3HG1      VAL 112  17.728  -1.100   2.864
  921   2HG1  VAL 112          2HG1      VAL 112  16.126  -1.795   2.618
  922   3HG1  VAL 112          1HG1      VAL 112  16.399  -0.080   2.313
  923   1HG2  VAL 112          1HG2      VAL 112  14.276  -1.277   4.451
  924   2HG2  VAL 112          3HG2      VAL 112  14.616   0.125   5.467
  925   3HG2  VAL 112          2HG2      VAL 112  14.494   0.312   3.718
  926    H    LYS 113           H        LYS 113  18.632  -3.370   4.778
  927    HA   LYS 113           HA       LYS 113  20.636  -2.081   6.410
  928   1HB   LYS 113           HB2      LYS 113  20.700  -4.523   4.638
  929   2HB   LYS 113           HB3      LYS 113  22.090  -3.946   5.546
  930   1HG   LYS 113           HG2      LYS 113  19.478  -4.626   6.855
  931   2HG   LYS 113           HG3      LYS 113  20.754  -5.815   6.589
  932   1HD   LYS 113           HD2      LYS 113  22.305  -4.453   7.895
  933   2HD   LYS 113           HD3      LYS 113  21.044  -3.244   8.143
  934   1HE   LYS 113           HE2      LYS 113  21.303  -4.706  10.092
  935   2HE   LYS 113           HE3      LYS 113  19.704  -4.854   9.364
  936   1HZ   LYS 113           HZ2      LYS 113  21.966  -6.736   8.962
  937   2HZ   LYS 113           HZ1      LYS 113  20.614  -7.013   9.940
  938   3HZ   LYS 113           HZ3      LYS 113  20.432  -6.878   8.263

  No H/Q in entry =         938
  Start of MODEL   22
    1    H1   GLY  -2           HT2      GLY  -2 -19.938 -17.711  22.181
    2    H2   GLY  -2           HT1      GLY  -2 -20.666 -17.202  23.620
    3    H3   GLY  -2           HT3      GLY  -2 -21.474 -17.003  22.146
    4   1HA   GLY  -2           HA2      GLY  -2 -20.568 -14.899  22.894
    5   2HA   GLY  -2           HA3      GLY  -2 -19.815 -15.427  21.397
    6    H    SER  -1           H        SER  -1 -18.525 -17.532  23.389
    7    HA   SER  -1           HA       SER  -1 -16.456 -15.742  24.460
    8   1HB   SER  -1           HB2      SER  -1 -15.803 -17.657  25.881
    9   2HB   SER  -1           HB3      SER  -1 -17.497 -17.220  26.110
   10    HG   SER  -1           HG       SER  -1 -16.566 -19.575  25.512
   11    H    HIS   0           H        HIS   0 -14.652 -15.550  23.335
   12    HA   HIS   0           HA       HIS   0 -12.911 -15.965  21.935
   13   1HB   HIS   0           HB2      HIS   0 -13.451 -18.842  22.698
   14   2HB   HIS   0           HB3      HIS   0 -11.994 -18.255  21.903
   15    HD1  HIS   0           HD1      HIS   0 -13.532 -18.697  25.203
   16    HD2  HIS   0           HD2      HIS   0 -10.366 -16.553  23.576
   17    HE1  HIS   0           HE1      HIS   0 -12.126 -17.983  27.162
   18    HE2  HIS   0           HE2      HIS   0 -10.173 -16.757  26.147
   19    H    MET   1           H        MET   1 -13.631 -15.336  19.966
   20    HA   MET   1           HA       MET   1 -15.052 -17.327  18.329
   21   1HB   MET   1           HB2      MET   1 -14.868 -14.328  17.992
   22   2HB   MET   1           HB3      MET   1 -15.733 -15.416  16.914
   23   1HG   MET   1           HG2      MET   1 -17.215 -16.052  18.752
   24   2HG   MET   1           HG3      MET   1 -16.352 -14.949  19.823
   25   1HE   MET   1           HE3      MET   1 -15.779 -12.481  17.902
   26   2HE   MET   1           HE2      MET   1 -17.180 -11.465  18.240
   27   3HE   MET   1           HE1      MET   1 -16.366 -12.310  19.557
   28    H    ILE   2           H        ILE   2 -14.458 -17.505  16.072
   29    HA   ILE   2           HA       ILE   2 -11.575 -17.354  15.729
   30    HB   ILE   2           HB       ILE   2 -12.717 -19.441  15.142
   31   1HG1  ILE   2          2HG1      ILE   2 -11.638 -18.041  12.685
   32   2HG1  ILE   2          3HG1      ILE   2 -10.640 -18.747  13.953
   33   1HG2  ILE   2          3HG2      ILE   2 -14.861 -18.510  14.460
   34   2HG2  ILE   2          2HG2      ILE   2 -14.110 -17.798  13.032
   35   3HG2  ILE   2          1HG2      ILE   2 -14.201 -19.551  13.199
   36   1HD1  ILE   2          3HD1      ILE   2 -11.563 -20.950  13.447
   37   2HD1  ILE   2          2HD1      ILE   2 -12.545 -20.239  12.166
   38   3HD1  ILE   2          1HD1      ILE   2 -10.786 -20.222  12.042
   39    H    ALA   3           H        ALA   3 -14.468 -15.816  14.568
   40    HA   ALA   3           HA       ALA   3 -13.512 -14.698  12.187
   41   1HB   ALA   3           HB1      ALA   3 -15.879 -14.728  12.800
   42   2HB   ALA   3           HB3      ALA   3 -15.562 -13.561  14.084
   43   3HB   ALA   3           HB2      ALA   3 -15.339 -13.098  12.397
   44    HA   PRO   4           HA       PRO   4 -10.407 -11.868  13.691
   45   1HB   PRO   4           HB2      PRO   4 -11.020 -10.412  11.177
   46   2HB   PRO   4           HB3      PRO   4  -9.472 -11.015  11.780
   47   1HG   PRO   4           HG2      PRO   4 -10.727 -12.243   9.775
   48   2HG   PRO   4           HG3      PRO   4  -9.866 -13.169  11.017
   49   1HD   PRO   4           HD2      PRO   4 -12.804 -12.703  10.691
   50   2HD   PRO   4           HD3      PRO   4 -11.945 -14.175  11.191
   51    H    LEU   5           H        LEU   5 -10.571 -10.159  15.002
   52    HA   LEU   5           HA       LEU   5 -12.501  -8.050  14.441
   53   1HB   LEU   5           HB2      LEU   5 -13.730  -9.654  15.831
   54   2HB   LEU   5           HB3      LEU   5 -12.467  -9.580  17.043
   55    HG   LEU   5           HG       LEU   5 -12.992  -7.166  17.374
   56   1HD1  LEU   5          1HD1      LEU   5 -13.972  -6.711  15.189
   57   2HD1  LEU   5          3HD1      LEU   5 -15.328  -7.775  15.568
   58   3HD1  LEU   5          2HD1      LEU   5 -15.090  -6.289  16.486
   59   1HD2  LEU   5          3HD2      LEU   5 -15.285  -9.082  17.772
   60   2HD2  LEU   5          2HD2      LEU   5 -13.915  -8.857  18.860
   61   3HD2  LEU   5          1HD2      LEU   5 -15.068  -7.545  18.611
   62    H    SER   6           H        SER   6 -10.222  -9.212  16.926
   63    HA   SER   6           HA       SER   6  -9.032  -6.516  16.951
   64   1HB   SER   6           HB2      SER   6 -10.241  -6.929  19.043
   65   2HB   SER   6           HB3      SER   6  -9.336  -8.423  19.285
   66    HG   SER   6           HG       SER   6  -8.666  -6.034  20.094
   67    H    VAL   7           H        VAL   7  -8.497  -9.982  17.214
   68    HA   VAL   7           HA       VAL   7  -5.600  -9.614  17.154
   69    HB   VAL   7           HB       VAL   7  -7.169 -12.195  17.268
   70   1HG1  VAL   7          1HG1      VAL   7  -4.895 -12.467  16.438
   71   2HG1  VAL   7          3HG1      VAL   7  -4.267 -11.599  17.839
   72   3HG1  VAL   7          2HG1      VAL   7  -5.059 -13.161  18.050
   73   1HG2  VAL   7          3HG2      VAL   7  -5.949 -10.584  19.508
   74   2HG2  VAL   7          2HG2      VAL   7  -7.669 -10.832  19.214
   75   3HG2  VAL   7          1HG2      VAL   7  -6.649 -12.196  19.669
   76    H    LYS   8           H        LYS   8  -4.382  -9.886  15.381
   77    HA   LYS   8           HA       LYS   8  -4.993 -11.576  13.221
   78   1HB   LYS   8           HB2      LYS   8  -6.721  -9.864  12.774
   79   2HB   LYS   8           HB3      LYS   8  -5.467  -8.637  12.694
   80   1HG   LYS   8           HG2      LYS   8  -6.114  -9.258  10.471
   81   2HG   LYS   8           HG3      LYS   8  -4.471  -9.825  10.776
   82   1HD   LYS   8           HD2      LYS   8  -5.330 -12.071  11.235
   83   2HD   LYS   8           HD3      LYS   8  -6.973 -11.504  10.930
   84   1HE   LYS   8           HE2      LYS   8  -6.355 -10.950   8.630
   85   2HE   LYS   8           HE3      LYS   8  -4.711 -11.508   8.935
   86   1HZ   LYS   8           HZ1      LYS   8  -5.584 -13.723   9.358
   87   2HZ   LYS   8           HZ3      LYS   8  -7.159 -13.185   9.057
   88   3HZ   LYS   8           HZ2      LYS   8  -6.016 -13.195   7.810
   89    H    ASP   9           H        ASP   9  -3.187 -11.929  12.062
   90    HA   ASP   9           HA       ASP   9  -0.754 -10.742  12.896
   91   1HB   ASP   9           HB2      ASP   9  -1.128 -12.363  10.391
   92   2HB   ASP   9           HB3      ASP   9   0.296 -12.246  11.410
   93    H    ASN  10           H        ASN  10  -0.706  -8.575  12.471
   94    HA   ASN  10           HA       ASN  10  -0.770  -7.791   9.645
   95   1HB   ASN  10           HB2      ASN  10  -1.258  -5.455  10.907
   96   2HB   ASN  10           HB3      ASN  10  -2.524  -6.532  10.328
   97   1HD2  ASN  10          1HD2      ASN  10  -4.029  -6.010  11.842
   98   2HD2  ASN  10          2HD2      ASN  10  -3.862  -6.360  13.524
   99    H    ASP  11           H        ASP  11   0.856  -7.589  12.686
  100    HA   ASP  11           HA       ASP  11   2.755  -5.629  11.760
  101   1HB   ASP  11           HB2      ASP  11   3.786  -5.970  13.998
  102   2HB   ASP  11           HB3      ASP  11   2.096  -5.490  14.064
  103    H    LYS  12           H        LYS  12   3.990  -6.450  10.172
  104    HA   LYS  12           HA       LYS  12   5.524  -8.888  10.754
  105   1HB   LYS  12           HB2      LYS  12   4.231  -9.180   8.737
  106   2HB   LYS  12           HB3      LYS  12   4.766  -7.625   8.111
  107   1HG   LYS  12           HG2      LYS  12   7.088  -8.527   8.107
  108   2HG   LYS  12           HG3      LYS  12   6.414 -10.109   8.497
  109   1HD   LYS  12           HD2      LYS  12   5.263 -10.233   6.440
  110   2HD   LYS  12           HD3      LYS  12   5.519  -8.517   6.107
  111   1HE   LYS  12           HE2      LYS  12   7.027  -9.777   4.737
  112   2HE   LYS  12           HE3      LYS  12   7.964  -8.970   5.995
  113   1HZ   LYS  12           HZ3      LYS  12   8.010 -11.041   7.238
  114   2HZ   LYS  12           HZ2      LYS  12   7.111 -11.815   6.033
  115   3HZ   LYS  12           HZ1      LYS  12   8.671 -11.258   5.696
  116    H    TRP  13           H        TRP  13   6.849  -7.520  12.088
  117    HA   TRP  13           HA       TRP  13   8.397  -5.448  10.826
  118   1HB   TRP  13           HB2      TRP  13   8.550  -6.562  13.638
  119   2HB   TRP  13           HB3      TRP  13   9.212  -5.038  13.073
  120    HD1  TRP  13           HD1      TRP  13   5.780  -5.679  11.723
  121    HE1  TRP  13           HE1      TRP  13   4.058  -4.216  12.923
  122    HE3  TRP  13           HE3      TRP  13   8.679  -4.002  15.601
  123    HZ2  TRP  13           HZ2      TRP  13   3.905  -2.574  15.184
  124    HZ3  TRP  13           HZ3      TRP  13   7.653  -2.482  17.245
  125    HH2  TRP  13           HH2      TRP  13   5.320  -1.785  17.043
  126    H    VAL  14           H        VAL  14  10.074  -6.052   9.549
  127    HA   VAL  14           HA       VAL  14  12.012  -7.956  10.645
  128    HB   VAL  14           HB       VAL  14  12.104  -9.261   8.539
  129   1HG1  VAL  14          2HG1      VAL  14  10.909 -10.137  10.472
  130   2HG1  VAL  14          1HG1      VAL  14   9.439  -9.316   9.947
  131   3HG1  VAL  14          3HG1      VAL  14  10.117 -10.620   8.972
  132   1HG2  VAL  14          2HG2      VAL  14   9.557  -7.786   7.883
  133   2HG2  VAL  14          1HG2      VAL  14  11.099  -7.635   7.039
  134   3HG2  VAL  14          3HG2      VAL  14  10.210  -9.157   6.985
  135    H    ASP  15           H        ASP  15  13.642  -8.377   8.600
  136    HA   ASP  15           HA       ASP  15  14.726  -5.720   8.063
  137   1HB   ASP  15           HB2      ASP  15  16.839  -6.789   7.785
  138   2HB   ASP  15           HB3      ASP  15  16.081  -7.500   9.211
  139    H    THR  16           H        THR  16  16.134  -5.758   5.913
  140    HA   THR  16           HA       THR  16  15.178  -7.255   3.710
  141    HB   THR  16           HB       THR  16  13.225  -5.635   4.298
  142    HG1  THR  16           HG1      THR  16  14.249  -6.535   1.931
  143   1HG2  THR  16          1HG2      THR  16  14.623  -3.608   4.431
  144   2HG2  THR  16          3HG2      THR  16  15.006  -3.781   2.718
  145   3HG2  THR  16          2HG2      THR  16  13.347  -3.463   3.223
  146    H    HIS  17           H        HIS  17  15.613  -5.784   1.574
  147    HA   HIS  17           HA       HIS  17  18.245  -4.517   1.954
  148   1HB   HIS  17           HB2      HIS  17  17.380  -6.202  -0.407
  149   2HB   HIS  17           HB3      HIS  17  18.956  -5.447  -0.186
  150    HD1  HIS  17           HD1      HIS  17  16.943  -8.399   0.820
  151    HD2  HIS  17           HD2      HIS  17  20.631  -6.708   1.715
  152    HE1  HIS  17           HE1      HIS  17  18.212 -10.177   2.064
  153    HE2  HIS  17           HE2      HIS  17  20.406  -9.098   2.676
  154    H    VAL  18           H        VAL  18  18.704  -3.453  -0.485
  155    HA   VAL  18           HA       VAL  18  16.896  -1.247  -0.520
  156    HB   VAL  18           HB       VAL  18  19.024  -1.873  -2.564
  157   1HG1  VAL  18          3HG1      VAL  18  17.667   0.699  -1.754
  158   2HG1  VAL  18          2HG1      VAL  18  19.039   0.586  -2.856
  159   3HG1  VAL  18          1HG1      VAL  18  17.496  -0.149  -3.290
  160   1HG2  VAL  18          3HG2      VAL  18  19.243  -0.389   0.051
  161   2HG2  VAL  18          2HG2      VAL  18  20.029  -1.911  -0.369
  162   3HG2  VAL  18          1HG2      VAL  18  20.487  -0.423  -1.199
  163    H    GLY  19           H        GLY  19  15.260  -0.765  -1.808
  164   1HA   GLY  19           HA3      GLY  19  14.793  -1.598  -4.418
  165   2HA   GLY  19           HA2      GLY  19  13.569  -1.001  -3.317
  166    H    LYS  20           H        LYS  20  14.427  -3.464  -1.563
  167    HA   LYS  20           HA       LYS  20  13.697  -5.778  -2.935
  168   1HB   LYS  20           HB2      LYS  20  14.567  -5.305  -0.447
  169   2HB   LYS  20           HB3      LYS  20  12.867  -5.525  -0.095
  170   1HG   LYS  20           HG2      LYS  20  13.799  -7.636   0.178
  171   2HG   LYS  20           HG3      LYS  20  13.045  -7.693  -1.421
  172   1HD   LYS  20           HD2      LYS  20  15.101  -7.453  -2.517
  173   2HD   LYS  20           HD3      LYS  20  15.898  -6.901  -1.046
  174   1HE   LYS  20           HE2      LYS  20  15.652  -9.138  -0.076
  175   2HE   LYS  20           HE3      LYS  20  14.844  -9.685  -1.545
  176   1HZ   LYS  20           HZ3      LYS  20  16.869  -9.229  -2.783
  177   2HZ   LYS  20           HZ2      LYS  20  17.643  -8.707  -1.373
  178   3HZ   LYS  20           HZ1      LYS  20  17.171 -10.324  -1.528
  179    H    THR  21           H        THR  21  11.968  -5.241  -4.302
  180    HA   THR  21           HA       THR  21   9.562  -4.065  -3.546
  181    HB   THR  21           HB       THR  21   9.701  -6.188  -5.672
  182    HG1  THR  21           HG1      THR  21  11.514  -4.727  -5.871
  183   1HG2  THR  21          3HG2      THR  21   7.523  -5.147  -5.155
  184   2HG2  THR  21          2HG2      THR  21   8.217  -3.562  -5.500
  185   3HG2  THR  21          1HG2      THR  21   8.077  -4.761  -6.785
  186    H    THR  22           H        THR  22   8.517  -4.781  -1.785
  187    HA   THR  22           HA       THR  22   7.976  -7.648  -1.518
  188    HB   THR  22           HB       THR  22   7.583  -5.372   0.437
  189    HG1  THR  22           HG1      THR  22   9.457  -5.997   1.250
  190   1HG2  THR  22          1HG2      THR  22   5.870  -7.114   0.739
  191   2HG2  THR  22          3HG2      THR  22   7.141  -8.330   0.859
  192   3HG2  THR  22          2HG2      THR  22   7.006  -7.070   2.088
  193    H    GLU  23           H        GLU  23   6.321  -8.147  -2.810
  194    HA   GLU  23           HA       GLU  23   4.057  -6.488  -3.232
  195   1HB   GLU  23           HB2      GLU  23   4.966  -8.227  -4.816
  196   2HB   GLU  23           HB3      GLU  23   4.304  -9.451  -3.743
  197   1HG   GLU  23           HG2      GLU  23   2.067  -8.705  -4.147
  198   2HG   GLU  23           HG3      GLU  23   2.659  -7.293  -5.025
  199    H    ILE  24           H        ILE  24   2.202  -6.381  -2.172
  200    HA   ILE  24           HA       ILE  24   1.649  -8.417  -0.122
  201    HB   ILE  24           HB       ILE  24   1.071  -5.483   0.153
  202   1HG1  ILE  24          2HG1      ILE  24   3.255  -7.115   1.459
  203   2HG1  ILE  24          3HG1      ILE  24   3.500  -5.924   0.185
  204   1HG2  ILE  24          2HG2      ILE  24  -0.462  -6.942   1.366
  205   2HG2  ILE  24          1HG2      ILE  24   0.904  -7.742   2.141
  206   3HG2  ILE  24          3HG2      ILE  24   0.569  -6.044   2.479
  207   1HD1  ILE  24          3HD1      ILE  24   2.592  -4.193   1.702
  208   2HD1  ILE  24          2HD1      ILE  24   2.526  -5.406   2.979
  209   3HD1  ILE  24          1HD1      ILE  24   4.078  -4.945   2.281
  210    H    HIS  25           H        HIS  25   0.205  -9.437  -1.552
  211    HA   HIS  25           HA       HIS  25  -2.094  -7.966  -2.529
  212   1HB   HIS  25           HB2      HIS  25  -1.091 -10.774  -2.831
  213   2HB   HIS  25           HB3      HIS  25  -2.764 -10.405  -3.209
  214    HD1  HIS  25           HD1      HIS  25  -2.531 -10.798  -5.715
  215    HD2  HIS  25           HD2      HIS  25   0.107  -7.950  -4.236
  216    HE1  HIS  25           HE1      HIS  25  -1.523  -9.701  -7.740
  217    HE2  HIS  25           HE2      HIS  25   0.142  -8.049  -6.820
  218    H    LEU  26           H        LEU  26  -3.568  -7.457  -1.044
  219    HA   LEU  26           HA       LEU  26  -4.102  -9.375   1.125
  220   1HB   LEU  26           HB2      LEU  26  -5.008  -6.515   0.889
  221   2HB   LEU  26           HB3      LEU  26  -5.122  -7.536   2.306
  222    HG   LEU  26           HG       LEU  26  -2.477  -6.768   1.085
  223   1HD1  LEU  26          2HD1      LEU  26  -3.676  -4.726   1.686
  224   2HD1  LEU  26          1HD1      LEU  26  -3.964  -5.370   3.303
  225   3HD1  LEU  26          3HD1      LEU  26  -2.319  -5.020   2.775
  226   1HD2  LEU  26          3HD2      LEU  26  -2.458  -8.703   2.570
  227   2HD2  LEU  26          2HD2      LEU  26  -1.623  -7.333   3.303
  228   3HD2  LEU  26          1HD2      LEU  26  -3.253  -7.754   3.827
  229    H    LYS  27           H        LYS  27  -6.465  -9.247   1.919
  230    HA   LYS  27           HA       LYS  27  -8.258  -9.418  -0.413
  231   1HB   LYS  27           HB2      LYS  27  -8.662 -10.992   2.115
  232   2HB   LYS  27           HB3      LYS  27  -9.368 -11.266   0.531
  233   1HG   LYS  27           HG2      LYS  27  -7.189 -11.950  -0.334
  234   2HG   LYS  27           HG3      LYS  27  -6.476 -11.678   1.258
  235   1HD   LYS  27           HD2      LYS  27  -7.948 -13.386   2.210
  236   2HD   LYS  27           HD3      LYS  27  -8.660 -13.659   0.617
  237   1HE   LYS  27           HE2      LYS  27  -6.984 -15.354   1.136
  238   2HE   LYS  27           HE3      LYS  27  -6.491 -14.369  -0.241
  239   1HZ   LYS  27           HZ1      LYS  27  -5.533 -14.035   2.550
  240   2HZ   LYS  27           HZ3      LYS  27  -4.658 -14.740   1.286
  241   3HZ   LYS  27           HZ2      LYS  27  -5.056 -13.097   1.226
  242    H    GLY  28           H        GLY  28 -10.557  -9.015   0.115
  243   1HA   GLY  28           HA3      GLY  28 -10.710  -6.745   1.952
  244   2HA   GLY  28           HA2      GLY  28 -11.801  -8.085   2.238
  245    H    ASN  29           H        ASN  29 -12.743  -5.537   1.776
  246    HA   ASN  29           HA       ASN  29 -13.439  -5.163  -0.975
  247   1HB   ASN  29           HB2      ASN  29 -14.926  -7.050  -0.391
  248   2HB   ASN  29           HB3      ASN  29 -15.611  -6.091   0.918
  249   1HD2  ASN  29          1HD2      ASN  29 -17.665  -6.260   0.007
  250   2HD2  ASN  29          2HD2      ASN  29 -18.124  -5.339  -1.382
  251    HA   PRO  30           HA       PRO  30 -13.637  -1.132   0.988
  252   1HB   PRO  30           HB2      PRO  30 -14.244   0.285  -1.259
  253   2HB   PRO  30           HB3      PRO  30 -12.611  -0.266  -0.868
  254   1HG   PRO  30           HG2      PRO  30 -14.631  -1.480  -2.715
  255   2HG   PRO  30           HG3      PRO  30 -12.889  -1.254  -2.956
  256   1HD   PRO  30           HD2      PRO  30 -13.937  -3.632  -2.243
  257   2HD   PRO  30           HD3      PRO  30 -12.344  -3.096  -1.671
  258    H    THR  31           H        THR  31 -16.153  -2.440  -1.103
  259    HA   THR  31           HA       THR  31 -18.128  -0.535  -0.199
  260    HB   THR  31           HB       THR  31 -19.713  -1.860  -1.561
  261    HG1  THR  31           HG1      THR  31 -18.701  -3.913  -1.307
  262   1HG2  THR  31          1HG2      THR  31 -17.127  -1.184  -2.969
  263   2HG2  THR  31          3HG2      THR  31 -18.700  -1.382  -3.744
  264   3HG2  THR  31          2HG2      THR  31 -18.436  -0.058  -2.609
  265    H    THR  32           H        THR  32 -16.740  -2.627   1.599
  266    HA   THR  32           HA       THR  32 -19.214  -3.489   2.919
  267    HB   THR  32           HB       THR  32 -16.823  -5.232   2.337
  268    HG1  THR  32           HG1      THR  32 -19.510  -5.136   1.556
  269   1HG2  THR  32          1HG2      THR  32 -19.100  -5.747   4.254
  270   2HG2  THR  32          3HG2      THR  32 -17.920  -6.949   3.733
  271   3HG2  THR  32          2HG2      THR  32 -17.398  -5.553   4.674
  272    H    GLY  33           H        GLY  33 -15.694  -3.775   3.490
  273   1HA   GLY  33           HA3      GLY  33 -14.785  -3.753   5.707
  274   2HA   GLY  33           HA2      GLY  33 -16.174  -2.813   6.227
  275    H    TYR  34           H        TYR  34 -12.966  -2.664   5.624
  276    HA   TYR  34           HA       TYR  34 -13.072   0.240   5.135
  277   1HB   TYR  34           HB2      TYR  34 -11.031  -1.333   6.722
  278   2HB   TYR  34           HB3      TYR  34 -11.003   0.406   6.463
  279    HD1  TYR  34           HD1      TYR  34 -13.443  -2.158   7.696
  280    HD2  TYR  34           HD2      TYR  34 -11.708   1.694   8.246
  281    HE1  TYR  34           HE1      TYR  34 -14.794  -1.841   9.724
  282    HE2  TYR  34           HE2      TYR  34 -13.059   2.016  10.272
  283    HH   TYR  34           HH       TYR  34 -14.734  -0.511  11.790
  284    H    MET  35           H        MET  35 -10.440   0.767   4.689
  285    HA   MET  35           HA       MET  35  -9.854  -0.711   2.224
  286   1HB   MET  35           HB2      MET  35 -10.259   1.424   1.451
  287   2HB   MET  35           HB3      MET  35  -9.725   2.177   2.943
  288   1HG   MET  35           HG2      MET  35  -7.391   1.597   2.342
  289   2HG   MET  35           HG3      MET  35  -7.990   0.993   0.813
  290   1HE   MET  35           HE3      MET  35 -10.109   2.857  -0.229
  291   2HE   MET  35           HE2      MET  35  -9.211   4.132  -1.054
  292   3HE   MET  35           HE1      MET  35  -8.706   2.450  -1.217
  293    H    TRP  36           H        TRP  36  -7.697  -1.141   1.731
  294    HA   TRP  36           HA       TRP  36  -5.890  -1.132   4.043
  295   1HB   TRP  36           HB2      TRP  36  -6.181  -2.896   1.649
  296   2HB   TRP  36           HB3      TRP  36  -4.640  -2.783   2.466
  297    HD1  TRP  36           HD1      TRP  36  -7.922  -4.529   2.627
  298    HE1  TRP  36           HE1      TRP  36  -8.045  -5.985   4.747
  299    HE3  TRP  36           HE3      TRP  36  -3.821  -2.730   5.075
  300    HZ2  TRP  36           HZ2      TRP  36  -6.586  -6.324   7.143
  301    HZ3  TRP  36           HZ3      TRP  36  -3.248  -3.669   7.267
  302    HH2  TRP  36           HH2      TRP  36  -4.604  -5.429   8.285
  303    H    THR  37           H        THR  37  -4.825   0.797   3.914
  304    HA   THR  37           HA       THR  37  -3.060   1.142   1.618
  305    HB   THR  37           HB       THR  37  -4.980   2.442   0.947
  306    HG1  THR  37           HG1      THR  37  -3.822   4.675   1.365
  307   1HG2  THR  37          2HG2      THR  37  -5.930   2.714   3.215
  308   2HG2  THR  37          1HG2      THR  37  -4.692   3.919   3.561
  309   3HG2  THR  37          3HG2      THR  37  -5.890   4.223   2.304
  310    H    ARG  38           H        ARG  38  -1.778   3.450   2.179
  311    HA   ARG  38           HA       ARG  38  -0.480   2.835   4.690
  312   1HB   ARG  38           HB2      ARG  38   0.164   4.504   2.315
  313   2HB   ARG  38           HB3      ARG  38   0.890   4.967   3.841
  314   1HG   ARG  38           HG2      ARG  38   2.019   2.944   4.061
  315   2HG   ARG  38           HG3      ARG  38   1.072   2.191   2.775
  316   1HD   ARG  38           HD2      ARG  38   3.442   2.948   2.235
  317   2HD   ARG  38           HD3      ARG  38   2.187   3.361   1.103
  318    HE   ARG  38           HE       ARG  38   2.295   5.620   1.946
  319   1HH1  ARG  38          1HH1      ARG  38   4.820   3.474   3.024
  320   2HH1  ARG  38          2HH1      ARG  38   5.956   4.746   3.323
  321   1HH2  ARG  38          1HH2      ARG  38   3.807   7.306   2.315
  322   2HH2  ARG  38          2HH2      ARG  38   5.380   6.919   2.925
  323    H    VAL  39           H        VAL  39   0.014   4.450   6.295
  324    HA   VAL  39           HA       VAL  39  -2.253   5.691   7.334
  325    HB   VAL  39           HB       VAL  39   0.585   6.461   7.996
  326   1HG1  VAL  39          1HG1      VAL  39  -1.953   6.512   9.623
  327   2HG1  VAL  39          3HG1      VAL  39  -0.346   6.931  10.215
  328   3HG1  VAL  39          2HG1      VAL  39  -1.108   7.912   8.964
  329   1HG2  VAL  39          1HG2      VAL  39   0.308   4.015   8.022
  330   2HG2  VAL  39          3HG2      VAL  39   0.594   4.680   9.629
  331   3HG2  VAL  39          2HG2      VAL  39  -1.032   4.197   9.153
  332    H    GLY  40           H        GLY  40  -3.189   7.615   7.092
  333   1HA   GLY  40           HA3      GLY  40  -1.730   9.960   6.300
  334   2HA   GLY  40           HA2      GLY  40  -3.456   9.857   6.604
  335    H    PHE  41           H        PHE  41  -1.519   8.023   4.279
  336    HA   PHE  41           HA       PHE  41  -2.293   9.579   2.033
  337   1HB   PHE  41           HB2      PHE  41  -1.251   6.743   2.078
  338   2HB   PHE  41           HB3      PHE  41  -1.221   7.853   0.710
  339    HD1  PHE  41           HD1      PHE  41   0.139   9.988   0.948
  340    HD2  PHE  41           HD2      PHE  41   0.477   6.697   3.616
  341    HE1  PHE  41           HE1      PHE  41   2.320  10.839   1.708
  342    HE2  PHE  41           HE2      PHE  41   2.660   7.536   4.385
  343    HZ   PHE  41           HZ       PHE  41   3.584   9.612   3.431
  344    H    VAL  42           H        VAL  42  -4.044   7.517   3.932
  345    HA   VAL  42           HA       VAL  42  -5.552   5.935   2.279
  346    HB   VAL  42           HB       VAL  42  -6.719   7.561   4.534
  347   1HG1  VAL  42          3HG1      VAL  42  -8.277   6.289   3.056
  348   2HG1  VAL  42          2HG1      VAL  42  -7.454   4.812   3.556
  349   3HG1  VAL  42          1HG1      VAL  42  -8.306   5.793   4.748
  350   1HG2  VAL  42          2HG2      VAL  42  -4.554   6.373   5.083
  351   2HG2  VAL  42          1HG2      VAL  42  -5.948   5.961   6.078
  352   3HG2  VAL  42          3HG2      VAL  42  -5.424   4.868   4.802
  353    H    GLY  43           H        GLY  43  -6.750   6.317   0.541
  354   1HA   GLY  43           HA3      GLY  43  -8.346   8.769   0.401
  355   2HA   GLY  43           HA2      GLY  43  -8.548   7.344  -0.607
  356    H    LYS  44           H        LYS  44  -5.467   8.906  -0.004
  357    HA   LYS  44           HA       LYS  44  -5.405  10.551  -2.283
  358   1HB   LYS  44           HB2      LYS  44  -3.144   9.312  -0.707
  359   2HB   LYS  44           HB3      LYS  44  -2.956  10.590  -1.894
  360   1HG   LYS  44           HG2      LYS  44  -4.435  12.024  -0.509
  361   2HG   LYS  44           HG3      LYS  44  -4.452  10.749   0.712
  362   1HD   LYS  44           HD2      LYS  44  -2.806  12.381   1.337
  363   2HD   LYS  44           HD3      LYS  44  -1.972  10.910   0.831
  364   1HE   LYS  44           HE2      LYS  44  -0.883  12.900  -0.070
  365   2HE   LYS  44           HE3      LYS  44  -1.542  11.891  -1.357
  366   1HZ   LYS  44           HZ1      LYS  44  -2.817  14.340  -0.261
  367   2HZ   LYS  44           HZ3      LYS  44  -2.003  14.229  -1.741
  368   3HZ   LYS  44           HZ2      LYS  44  -3.442  13.374  -1.501
  369    H    ASP  45           H        ASP  45  -3.640  10.231  -4.005
  370    HA   ASP  45           HA       ASP  45  -4.256   7.833  -5.438
  371   1HB   ASP  45           HB2      ASP  45  -2.548  10.246  -5.995
  372   2HB   ASP  45           HB3      ASP  45  -2.568   8.866  -7.079
  373    H    VAL  46           H        VAL  46  -1.154   9.307  -4.517
  374    HA   VAL  46           HA       VAL  46   0.045   6.624  -4.457
  375    HB   VAL  46           HB       VAL  46   1.079   8.351  -5.940
  376   1HG1  VAL  46          3HG1      VAL  46   0.697  10.303  -4.532
  377   2HG1  VAL  46          2HG1      VAL  46   1.817   9.662  -3.329
  378   3HG1  VAL  46          1HG1      VAL  46   2.408  10.130  -4.924
  379   1HG2  VAL  46          2HG2      VAL  46   2.366   6.441  -5.152
  380   2HG2  VAL  46          1HG2      VAL  46   3.386   7.876  -5.258
  381   3HG2  VAL  46          3HG2      VAL  46   2.803   7.324  -3.688
  382    H    LEU  47           H        LEU  47   1.113   5.872  -2.688
  383    HA   LEU  47           HA       LEU  47   0.582   7.292  -0.186
  384   1HB   LEU  47           HB2      LEU  47   1.662   4.523  -0.311
  385   2HB   LEU  47           HB3      LEU  47   0.631   5.254   0.897
  386    HG   LEU  47           HG       LEU  47  -0.246   4.465  -1.883
  387   1HD1  LEU  47          3HD1      LEU  47  -0.677   3.136   0.785
  388   2HD1  LEU  47          2HD1      LEU  47  -1.523   2.703  -0.700
  389   3HD1  LEU  47          1HD1      LEU  47   0.225   2.496  -0.587
  390   1HD2  LEU  47          1HD2      LEU  47  -1.832   5.458   0.478
  391   2HD2  LEU  47          3HD2      LEU  47  -1.513   6.348  -1.010
  392   3HD2  LEU  47          2HD2      LEU  47  -2.504   4.889  -1.050
  393    H    SER  48           H        SER  48   3.165   5.495  -1.801
  394    HA   SER  48           HA       SER  48   5.268   5.967  -0.101
  395   1HB   SER  48           HB2      SER  48   6.697   5.494  -1.979
  396   2HB   SER  48           HB3      SER  48   5.260   4.492  -2.122
  397    HG   SER  48           HG       SER  48   4.928   5.391  -3.975
  398    H    ASP  49           H        ASP  49   7.296   7.307  -0.976
  399    HA   ASP  49           HA       ASP  49   6.647   9.909  -2.016
  400   1HB   ASP  49           HB2      ASP  49   7.286   9.541   0.903
  401   2HB   ASP  49           HB3      ASP  49   7.640  11.051   0.068
  402    H    GLU  50           H        GLU  50   9.175   9.270   0.326
  403    HA   GLU  50           HA       GLU  50  11.149   9.194  -1.850
  404   1HB   GLU  50           HB2      GLU  50  12.611  10.631  -0.530
  405   2HB   GLU  50           HB3      GLU  50  11.069  11.423  -0.832
  406   1HG   GLU  50           HG2      GLU  50  10.320  10.864   1.410
  407   2HG   GLU  50           HG3      GLU  50  11.853  10.052   1.726
  408    H    ILE  51           H        ILE  51  10.463   8.458   1.541
  409    HA   ILE  51           HA       ILE  51  12.775   6.952   2.089
  410    HB   ILE  51           HB       ILE  51  10.057   6.478   3.308
  411   1HG1  ILE  51          2HG1      ILE  51  10.606   8.903   3.266
  412   2HG1  ILE  51          3HG1      ILE  51  10.520   8.239   4.892
  413   1HG2  ILE  51          3HG2      ILE  51  12.854   6.141   4.378
  414   2HG2  ILE  51          2HG2      ILE  51  11.372   5.894   5.302
  415   3HG2  ILE  51          1HG2      ILE  51  11.736   4.854   3.926
  416   1HD1  ILE  51          1HD1      ILE  51  13.046   8.787   3.353
  417   2HD1  ILE  51          3HD1      ILE  51  12.382   9.784   4.647
  418   3HD1  ILE  51          2HD1      ILE  51  12.949   8.151   4.996
  419    H    LEU  52           H        LEU  52   9.538   5.523   1.958
  420    HA   LEU  52           HA       LEU  52  10.689   3.147   0.666
  421   1HB   LEU  52           HB2      LEU  52   8.408   3.629   2.511
  422   2HB   LEU  52           HB3      LEU  52   8.246   2.319   1.359
  423    HG   LEU  52           HG       LEU  52  10.629   2.516   3.169
  424   1HD1  LEU  52          1HD1      LEU  52   8.010   1.151   3.756
  425   2HD1  LEU  52          3HD1      LEU  52   9.486   1.000   4.710
  426   3HD1  LEU  52          2HD1      LEU  52   8.663   2.556   4.599
  427   1HD2  LEU  52          2HD2      LEU  52  10.612   1.009   1.157
  428   2HD2  LEU  52          1HD2      LEU  52  10.901   0.210   2.703
  429   3HD2  LEU  52          3HD2      LEU  52   9.314   0.111   1.941
  430    H    GLU  53           H        GLU  53  10.380   2.958  -1.477
  431    HA   GLU  53           HA       GLU  53   8.412   4.462  -2.887
  432   1HB   GLU  53           HB2      GLU  53  10.579   2.612  -3.546
  433   2HB   GLU  53           HB3      GLU  53   9.186   2.442  -4.604
  434   1HG   GLU  53           HG2      GLU  53  10.069   5.190  -4.088
  435   2HG   GLU  53           HG3      GLU  53  11.191   4.179  -4.994
  436    H    VAL  54           H        VAL  54   6.733   3.565  -1.305
  437    HA   VAL  54           HA       VAL  54   5.792   0.912  -1.659
  438    HB   VAL  54           HB       VAL  54   4.169   3.220  -0.614
  439   1HG1  VAL  54          1HG1      VAL  54   2.987   1.118  -1.060
  440   2HG1  VAL  54          3HG1      VAL  54   4.114   0.269  -0.002
  441   3HG1  VAL  54          2HG1      VAL  54   3.034   1.494   0.663
  442   1HG2  VAL  54          2HG2      VAL  54   6.370   1.669   0.696
  443   2HG2  VAL  54          1HG2      VAL  54   6.090   3.408   0.683
  444   3HG2  VAL  54          3HG2      VAL  54   5.054   2.355   1.647
  445    H    VAL  55           H        VAL  55   5.607   0.738  -3.939
  446    HA   VAL  55           HA       VAL  55   3.688   2.362  -5.340
  447    HB   VAL  55           HB       VAL  55   4.918  -0.224  -6.272
  448   1HG1  VAL  55          2HG1      VAL  55   2.902   0.715  -7.454
  449   2HG1  VAL  55          1HG1      VAL  55   3.906   2.094  -7.901
  450   3HG1  VAL  55          3HG1      VAL  55   4.331   0.476  -8.462
  451   1HG2  VAL  55          3HG2      VAL  55   5.960   2.590  -6.604
  452   2HG2  VAL  55          2HG2      VAL  55   6.703   1.306  -5.650
  453   3HG2  VAL  55          1HG2      VAL  55   6.612   1.160  -7.405
  454    H    CYS  56           H        CYS  56   1.857   2.025  -4.124
  455    HA   CYS  56           HA       CYS  56   0.742  -0.682  -4.098
  456   1HB   CYS  56           HB2      CYS  56   0.815   0.239  -1.905
  457   2HB   CYS  56           HB3      CYS  56   0.111   1.758  -2.448
  458    HG   CYS  56           HG       CYS  56  -1.797   0.439  -0.917
  459    H    LYS  57           H        LYS  57  -0.786  -1.196  -5.450
  460    HA   LYS  57           HA       LYS  57  -2.436   0.936  -6.622
  461   1HB   LYS  57           HB2      LYS  57  -1.927  -1.737  -7.894
  462   2HB   LYS  57           HB3      LYS  57  -2.570  -0.285  -8.643
  463   1HG   LYS  57           HG2      LYS  57  -0.397   0.802  -8.427
  464   2HG   LYS  57           HG3      LYS  57   0.256  -0.650  -7.667
  465   1HD   LYS  57           HD2      LYS  57  -0.918  -0.556 -10.444
  466   2HD   LYS  57           HD3      LYS  57   0.806  -0.452 -10.085
  467   1HE   LYS  57           HE2      LYS  57   0.719  -2.655  -9.026
  468   2HE   LYS  57           HE3      LYS  57  -1.005  -2.761  -9.384
  469   1HZ   LYS  57           HZ3      LYS  57  -0.478  -2.661 -11.745
  470   2HZ   LYS  57           HZ2      LYS  57   1.175  -2.578 -11.394
  471   3HZ   LYS  57           HZ1      LYS  57   0.298  -3.973 -11.007
  472    H    TYR  58           H        TYR  58  -4.292   0.909  -5.568
  473    HA   TYR  58           HA       TYR  58  -5.399  -1.454  -4.398
  474   1HB   TYR  58           HB2      TYR  58  -5.694   0.902  -3.502
  475   2HB   TYR  58           HB3      TYR  58  -6.796   1.195  -4.845
  476    HD1  TYR  58           HD1      TYR  58  -8.397  -1.228  -4.962
  477    HD2  TYR  58           HD2      TYR  58  -6.927   0.883  -1.550
  478    HE1  TYR  58           HE1      TYR  58 -10.252  -2.122  -3.636
  479    HE2  TYR  58           HE2      TYR  58  -8.812   0.002  -0.224
  480    HH   TYR  58           HH       TYR  58 -10.798  -2.534  -1.280
  481    H    THR  59           H        THR  59  -6.044  -3.001  -5.768
  482    HA   THR  59           HA       THR  59  -7.533  -2.260  -8.183
  483    HB   THR  59           HB       THR  59  -6.488  -4.994  -7.425
  484    HG1  THR  59           HG1      THR  59  -5.256  -2.795  -8.687
  485   1HG2  THR  59          1HG2      THR  59  -7.364  -3.824 -10.071
  486   2HG2  THR  59          3HG2      THR  59  -6.706  -5.443  -9.830
  487   3HG2  THR  59          2HG2      THR  59  -8.256  -5.004  -9.111
  488    HA   PRO  60           HA       PRO  60 -11.152  -3.692  -5.902
  489   1HB   PRO  60           HB2      PRO  60 -12.691  -2.371  -7.971
  490   2HB   PRO  60           HB3      PRO  60 -12.512  -1.911  -6.279
  491   1HG   PRO  60           HG2      PRO  60 -11.506  -0.435  -8.312
  492   2HG   PRO  60           HG3      PRO  60 -10.712  -0.535  -6.728
  493   1HD   PRO  60           HD2      PRO  60 -10.117  -2.088  -9.229
  494   2HD   PRO  60           HD3      PRO  60  -9.003  -1.205  -8.166
  495    H    THR  61           H        THR  61 -10.761  -5.893  -6.554
  496    HA   THR  61           HA       THR  61 -11.552  -6.793  -9.163
  497    HB   THR  61           HB       THR  61 -11.405  -8.993  -7.410
  498    HG1  THR  61           HG1      THR  61  -8.992  -8.007  -6.909
  499   1HG2  THR  61          3HG2      THR  61 -10.620  -8.924  -9.733
  500   2HG2  THR  61          2HG2      THR  61  -9.313  -7.841  -9.257
  501   3HG2  THR  61          1HG2      THR  61  -9.355  -9.494  -8.645
  502    HA   PRO  62           HA       PRO  62 -15.843  -7.506  -8.452
  503   1HB   PRO  62           HB2      PRO  62 -15.597  -9.971 -10.057
  504   2HB   PRO  62           HB3      PRO  62 -16.547  -8.516 -10.371
  505   1HG   PRO  62           HG2      PRO  62 -14.355  -9.076 -11.803
  506   2HG   PRO  62           HG3      PRO  62 -14.768  -7.409 -11.362
  507   1HD   PRO  62           HD2      PRO  62 -12.758  -9.248 -10.119
  508   2HD   PRO  62           HD3      PRO  62 -12.614  -7.521 -10.507
  509    H    SER  63           H        SER  63 -17.263  -8.778  -7.263
  510    HA   SER  63           HA       SER  63 -16.023 -10.577  -5.387
  511   1HB   SER  63           HB2      SER  63 -17.755  -8.958  -4.676
  512   2HB   SER  63           HB3      SER  63 -18.935  -9.796  -5.684
  513    HG   SER  63           HG       SER  63 -19.199 -11.152  -4.117
  514    H    SER  64           H        SER  64 -17.577 -12.570  -4.807
  515    HA   SER  64           HA       SER  64 -17.180 -14.485  -6.785
  516   1HB   SER  64           HB2      SER  64 -19.160 -14.539  -4.496
  517   2HB   SER  64           HB3      SER  64 -18.639 -15.944  -5.425
  518    HG   SER  64           HG       SER  64 -17.025 -16.057  -4.105
  519    H    THR  65           H        THR  65 -20.300 -13.086  -5.754
  520    HA   THR  65           HA       THR  65 -21.514 -14.018  -8.238
  521    HB   THR  65           HB       THR  65 -23.648 -13.251  -7.226
  522    HG1  THR  65           HG1      THR  65 -23.071 -11.656  -5.823
  523   1HG2  THR  65          2HG2      THR  65 -22.905 -15.557  -6.904
  524   2HG2  THR  65          1HG2      THR  65 -21.998 -15.074  -5.471
  525   3HG2  THR  65          3HG2      THR  65 -23.759 -14.970  -5.477
  526    HA   PRO  66           HA       PRO  66 -21.495 -10.023 -10.141
  527   1HB   PRO  66           HB2      PRO  66 -23.617 -10.181 -11.770
  528   2HB   PRO  66           HB3      PRO  66 -22.200 -11.211 -12.009
  529   1HG   PRO  66           HG2      PRO  66 -24.798 -11.852 -10.647
  530   2HG   PRO  66           HG3      PRO  66 -23.919 -12.802 -11.863
  531   1HD   PRO  66           HD2      PRO  66 -23.759 -13.317  -9.204
  532   2HD   PRO  66           HD3      PRO  66 -22.405 -13.604 -10.317
  533    H    MET  67           H        MET  67 -23.765  -8.628 -11.043
  534    HA   MET  67           HA       MET  67 -25.383  -7.161 -10.447
  535   1HB   MET  67           HB2      MET  67 -26.471  -9.111  -9.349
  536   2HB   MET  67           HB3      MET  67 -25.607  -8.714  -7.869
  537   1HG   MET  67           HG2      MET  67 -26.741  -6.570  -7.759
  538   2HG   MET  67           HG3      MET  67 -27.580  -6.925  -9.267
  539   1HE   MET  67           HE2      MET  67 -26.780  -9.412  -6.320
  540   2HE   MET  67           HE1      MET  67 -27.147  -7.900  -5.488
  541   3HE   MET  67           HE3      MET  67 -28.245  -9.273  -5.347
  542    H    VAL  68           H        VAL  68 -23.855  -7.915  -7.354
  543    HA   VAL  68           HA       VAL  68 -22.652  -5.256  -7.292
  544    HB   VAL  68           HB       VAL  68 -24.885  -5.115  -6.178
  545   1HG1  VAL  68          2HG1      VAL  68 -24.967  -7.360  -5.239
  546   2HG1  VAL  68          1HG1      VAL  68 -23.623  -6.972  -4.166
  547   3HG1  VAL  68          3HG1      VAL  68 -25.169  -6.144  -3.979
  548   1HG2  VAL  68          3HG2      VAL  68 -23.104  -3.555  -5.616
  549   2HG2  VAL  68          2HG2      VAL  68 -24.069  -3.935  -4.189
  550   3HG2  VAL  68          1HG2      VAL  68 -22.484  -4.678  -4.406
  551    H    GLY  69           H        GLY  69 -20.928  -5.035  -5.775
  552   1HA   GLY  69           HA3      GLY  69 -19.934  -7.605  -4.712
  553   2HA   GLY  69           HA2      GLY  69 -19.630  -6.050  -3.954
  554    H    VAL  70           H        VAL  70 -17.751  -5.098  -4.372
  555    HA   VAL  70           HA       VAL  70 -16.099  -6.203  -6.527
  556    HB   VAL  70           HB       VAL  70 -16.387  -3.233  -6.032
  557   1HG1  VAL  70          2HG1      VAL  70 -14.797  -4.755  -8.098
  558   2HG1  VAL  70          1HG1      VAL  70 -14.970  -3.002  -8.027
  559   3HG1  VAL  70          3HG1      VAL  70 -14.140  -3.860  -6.729
  560   1HG2  VAL  70          2HG2      VAL  70 -17.360  -4.913  -8.340
  561   2HG2  VAL  70          1HG2      VAL  70 -18.367  -4.119  -7.130
  562   3HG2  VAL  70          3HG2      VAL  70 -17.416  -3.153  -8.257
  563    H    GLY  71           H        GLY  71 -15.120  -7.298  -4.696
  564   1HA   GLY  71           HA3      GLY  71 -13.467  -7.552  -3.120
  565   2HA   GLY  71           HA2      GLY  71 -13.896  -5.946  -2.547
  566    H    GLY  72           H        GLY  72 -11.283  -6.664  -2.421
  567   1HA   GLY  72           HA3      GLY  72  -9.767  -4.717  -3.318
  568   2HA   GLY  72           HA2      GLY  72  -9.983  -5.605  -4.819
  569    H    ILE  73           H        ILE  73  -7.817  -6.129  -5.052
  570    HA   ILE  73           HA       ILE  73  -6.915  -8.320  -3.404
  571    HB   ILE  73           HB       ILE  73  -6.588  -7.588  -6.105
  572   1HG1  ILE  73          2HG1      ILE  73  -7.018  -9.800  -5.080
  573   2HG1  ILE  73          3HG1      ILE  73  -5.753  -9.822  -6.307
  574   1HG2  ILE  73          2HG2      ILE  73  -4.563  -6.372  -5.441
  575   2HG2  ILE  73          1HG2      ILE  73  -3.930  -7.846  -4.703
  576   3HG2  ILE  73          3HG2      ILE  73  -4.192  -7.774  -6.446
  577   1HD1  ILE  73          3HD1      ILE  73  -5.268  -9.743  -3.330
  578   2HD1  ILE  73          2HD1      ILE  73  -5.186 -11.190  -4.338
  579   3HD1  ILE  73          1HD1      ILE  73  -4.039  -9.872  -4.593
  580    H    TYR  74           H        TYR  74  -6.392  -5.016  -3.720
  581    HA   TYR  74           HA       TYR  74  -4.909  -3.522  -2.830
  582   1HB   TYR  74           HB2      TYR  74  -4.548  -5.572  -0.647
  583   2HB   TYR  74           HB3      TYR  74  -4.442  -3.821  -0.514
  584    HD1  TYR  74           HD1      TYR  74  -6.668  -6.699  -0.492
  585    HD2  TYR  74           HD2      TYR  74  -6.500  -2.451  -0.562
  586    HE1  TYR  74           HE1      TYR  74  -9.015  -6.598   0.211
  587    HE2  TYR  74           HE2      TYR  74  -8.847  -2.349   0.153
  588    HH   TYR  74           HH       TYR  74 -10.535  -5.034   1.337
  589    H    VAL  75           H        VAL  75  -3.234  -3.661  -4.394
  590    HA   VAL  75           HA       VAL  75  -1.103  -5.601  -3.868
  591    HB   VAL  75           HB       VAL  75  -1.533  -3.747  -6.221
  592   1HG1  VAL  75          1HG1      VAL  75   0.665  -5.751  -5.723
  593   2HG1  VAL  75          3HG1      VAL  75   0.365  -4.938  -7.259
  594   3HG1  VAL  75          2HG1      VAL  75   0.839  -4.000  -5.844
  595   1HG2  VAL  75          3HG2      VAL  75  -1.823  -6.721  -5.891
  596   2HG2  VAL  75          2HG2      VAL  75  -3.072  -5.553  -6.315
  597   3HG2  VAL  75          1HG2      VAL  75  -1.777  -5.911  -7.457
  598    H    VAL  76           H        VAL  76   0.298  -4.878  -2.365
  599    HA   VAL  76           HA       VAL  76   1.184  -2.075  -2.582
  600    HB   VAL  76           HB       VAL  76   1.497  -3.804  -0.138
  601   1HG1  VAL  76          2HG1      VAL  76   2.999  -1.883  -0.320
  602   2HG1  VAL  76          1HG1      VAL  76   1.612  -0.818  -0.545
  603   3HG1  VAL  76          3HG1      VAL  76   1.833  -1.663   0.986
  604   1HG2  VAL  76          2HG2      VAL  76  -0.895  -3.557  -0.708
  605   2HG2  VAL  76          1HG2      VAL  76  -0.464  -2.740   0.793
  606   3HG2  VAL  76          3HG2      VAL  76  -0.694  -1.806  -0.684
  607    H    LEU  77           H        LEU  77   3.034  -1.956  -3.675
  608    HA   LEU  77           HA       LEU  77   5.087  -4.013  -3.258
  609   1HB   LEU  77           HB2      LEU  77   4.727  -1.933  -5.408
  610   2HB   LEU  77           HB3      LEU  77   6.183  -2.896  -5.254
  611    HG   LEU  77           HG       LEU  77   3.397  -3.954  -5.790
  612   1HD1  LEU  77          3HD1      LEU  77   4.352  -2.787  -7.703
  613   2HD1  LEU  77          2HD1      LEU  77   5.818  -3.758  -7.575
  614   3HD1  LEU  77          1HD1      LEU  77   4.286  -4.525  -7.993
  615   1HD2  LEU  77          3HD2      LEU  77   5.083  -5.374  -4.428
  616   2HD2  LEU  77          2HD2      LEU  77   4.245  -6.105  -5.799
  617   3HD2  LEU  77          1HD2      LEU  77   5.912  -5.556  -5.974
  618    H    VAL  78           H        VAL  78   6.187  -3.432  -1.454
  619    HA   VAL  78           HA       VAL  78   6.904  -0.628  -1.087
  620    HB   VAL  78           HB       VAL  78   8.021  -2.373   0.915
  621   1HG1  VAL  78          3HG1      VAL  78   5.904  -0.210   0.981
  622   2HG1  VAL  78          2HG1      VAL  78   6.659  -0.930   2.406
  623   3HG1  VAL  78          1HG1      VAL  78   7.638  -0.006   1.266
  624   1HG2  VAL  78          1HG2      VAL  78   5.052  -2.620   0.462
  625   2HG2  VAL  78          3HG2      VAL  78   6.242  -3.910   0.303
  626   3HG2  VAL  78          2HG2      VAL  78   5.924  -3.196   1.883
  627    H    LYS  79           H        LYS  79   8.589  -0.003  -2.251
  628    HA   LYS  79           HA       LYS  79  10.957  -1.745  -2.381
  629   1HB   LYS  79           HB2      LYS  79   9.781   0.256  -4.251
  630   2HB   LYS  79           HB3      LYS  79  11.526   0.049  -4.253
  631   1HG   LYS  79           HG2      LYS  79  11.197  -2.370  -4.652
  632   2HG   LYS  79           HG3      LYS  79   9.453  -2.077  -4.780
  633   1HD   LYS  79           HD2      LYS  79  11.477  -0.651  -6.497
  634   2HD   LYS  79           HD3      LYS  79  10.763  -2.197  -6.958
  635   1HE   LYS  79           HE2      LYS  79   9.474  -0.530  -8.026
  636   2HE   LYS  79           HE3      LYS  79   8.507  -1.110  -6.673
  637   1HZ   LYS  79           HZ3      LYS  79  10.193   1.323  -6.535
  638   2HZ   LYS  79           HZ2      LYS  79   8.558   1.351  -6.962
  639   3HZ   LYS  79           HZ1      LYS  79   9.020   0.817  -5.426
  640    HA   PRO  80           HA       PRO  80  12.316   1.336   0.740
  641   1HB   PRO  80           HB2      PRO  80  14.767  -0.027   0.956
  642   2HB   PRO  80           HB3      PRO  80  13.375  -0.175   2.031
  643   1HG   PRO  80           HG2      PRO  80  14.221  -1.915  -0.229
  644   2HG   PRO  80           HG3      PRO  80  13.412  -2.351   1.288
  645   1HD   PRO  80           HD2      PRO  80  12.081  -2.274  -1.033
  646   2HD   PRO  80           HD3      PRO  80  11.319  -1.757   0.487
  647    H    ARG  81           H        ARG  81  12.720   3.150  -0.383
  648    HA   ARG  81           HA       ARG  81  14.614   3.317  -2.513
  649   1HB   ARG  81           HB2      ARG  81  12.628   5.008  -1.287
  650   2HB   ARG  81           HB3      ARG  81  14.121   5.902  -1.527
  651   1HG   ARG  81           HG2      ARG  81  14.098   5.360  -3.885
  652   2HG   ARG  81           HG3      ARG  81  12.652   4.372  -3.659
  653   1HD   ARG  81           HD2      ARG  81  11.384   6.317  -2.981
  654   2HD   ARG  81           HD3      ARG  81  12.828   7.327  -3.086
  655    HE   ARG  81           HE       ARG  81  12.287   6.037  -5.561
  656   1HH1  ARG  81          1HH1      ARG  81  11.282   8.687  -3.532
  657   2HH1  ARG  81          2HH1      ARG  81  10.686   9.638  -4.851
  658   1HH2  ARG  81          1HH2      ARG  81  11.504   7.282  -7.302
  659   2HH2  ARG  81          2HH2      ARG  81  10.811   8.841  -6.993
  660    H    LYS  82           H        LYS  82  14.627   4.020   0.920
  661    HA   LYS  82           HA       LYS  82  17.424   4.912   0.742
  662   1HB   LYS  82           HB2      LYS  82  15.195   5.496   2.651
  663   2HB   LYS  82           HB3      LYS  82  16.847   5.636   3.200
  664   1HG   LYS  82           HG2      LYS  82  16.199   7.785   2.543
  665   2HG   LYS  82           HG3      LYS  82  17.251   7.182   1.258
  666   1HD   LYS  82           HD2      LYS  82  15.441   6.770  -0.169
  667   2HD   LYS  82           HD3      LYS  82  14.288   6.865   1.161
  668   1HE   LYS  82           HE2      LYS  82  14.186   8.860  -0.263
  669   2HE   LYS  82           HE3      LYS  82  14.707   9.256   1.375
  670   1HZ   LYS  82           HZ1      LYS  82  16.995   9.308   0.596
  671   2HZ   LYS  82           HZ3      LYS  82  16.494   8.931  -0.975
  672   3HZ   LYS  82           HZ2      LYS  82  16.043  10.402  -0.274
  673    H    ARG  83           H        ARG  83  18.977   4.065   2.169
  674    HA   ARG  83           HA       ARG  83  18.397   1.345   3.051
  675   1HB   ARG  83           HB2      ARG  83  21.083   2.702   3.118
  676   2HB   ARG  83           HB3      ARG  83  20.730   0.981   3.040
  677   1HG   ARG  83           HG2      ARG  83  19.889   1.245   0.770
  678   2HG   ARG  83           HG3      ARG  83  20.211   2.978   0.846
  679   1HD   ARG  83           HD2      ARG  83  22.239   0.758   1.003
  680   2HD   ARG  83           HD3      ARG  83  21.990   1.868  -0.343
  681    HE   ARG  83           HE       ARG  83  22.528   3.403   1.911
  682   1HH1  ARG  83          1HH1      ARG  83  24.145   1.052  -0.089
  683   2HH1  ARG  83          2HH1      ARG  83  25.724   1.701   0.203
  684   1HH2  ARG  83          1HH2      ARG  83  24.602   4.264   2.300
  685   2HH2  ARG  83          2HH2      ARG  83  25.984   3.526   1.561
  686    H    GLY  84           H        GLY  84  18.193   0.775   5.130
  687   1HA   GLY  84           HA3      GLY  84  18.469   2.861   7.158
  688   2HA   GLY  84           HA2      GLY  84  19.442   1.413   7.369
  689    H    HIS  85           H        HIS  85  16.613   2.866   8.225
  690    HA   HIS  85           HA       HIS  85  15.207   0.313   8.618
  691   1HB   HIS  85           HB2      HIS  85  16.344   0.883  10.707
  692   2HB   HIS  85           HB3      HIS  85  15.589   2.471  10.699
  693    HD1  HIS  85           HD1      HIS  85  13.290   2.665  11.699
  694    HD2  HIS  85           HD2      HIS  85  14.500  -1.278  11.200
  695    HE1  HIS  85           HE1      HIS  85  11.557   1.276  12.878
  696    HE2  HIS  85           HE2      HIS  85  12.265  -1.111  12.491
  697    H    HIS  86           H        HIS  86  13.258   0.384   7.788
  698    HA   HIS  86           HA       HIS  86  11.755   2.911   7.847
  699   1HB   HIS  86           HB2      HIS  86  11.851   1.000   5.501
  700   2HB   HIS  86           HB3      HIS  86  10.914   2.489   5.594
  701    HD1  HIS  86           HD1      HIS  86  13.385   4.101   6.920
  702    HD2  HIS  86           HD2      HIS  86  13.380   1.954   3.364
  703    HE1  HIS  86           HE1      HIS  86  15.270   5.054   5.557
  704    HE2  HIS  86           HE2      HIS  86  15.179   3.811   3.369
  705    H    THR  87           H        THR  87   9.362   2.282   6.982
  706    HA   THR  87           HA       THR  87   8.467  -0.288   7.934
  707    HB   THR  87           HB       THR  87   7.576   2.189   9.421
  708    HG1  THR  87           HG1      THR  87   9.608   1.584  10.154
  709   1HG2  THR  87          3HG2      THR  87   6.864  -0.726   9.746
  710   2HG2  THR  87          2HG2      THR  87   6.408   0.554  10.872
  711   3HG2  THR  87          1HG2      THR  87   5.789   0.568   9.219
  712    H    LEU  88           H        LEU  88   6.212  -0.672   7.557
  713    HA   LEU  88           HA       LEU  88   4.885   1.280   5.809
  714   1HB   LEU  88           HB2      LEU  88   5.891  -0.382   4.364
  715   2HB   LEU  88           HB3      LEU  88   5.186  -1.679   5.307
  716    HG   LEU  88           HG       LEU  88   2.911  -0.688   4.644
  717   1HD1  LEU  88          2HD1      LEU  88   3.743   1.459   3.847
  718   2HD1  LEU  88          1HD1      LEU  88   4.662   0.641   2.583
  719   3HD1  LEU  88          3HD1      LEU  88   2.899   0.588   2.566
  720   1HD2  LEU  88          3HD2      LEU  88   4.693  -1.915   2.552
  721   2HD2  LEU  88          2HD2      LEU  88   3.758  -2.787   3.764
  722   3HD2  LEU  88          1HD2      LEU  88   2.933  -1.872   2.502
  723    H    GLU  89           H        GLU  89   3.563   1.819   7.600
  724    HA   GLU  89           HA       GLU  89   1.971  -0.264   8.831
  725   1HB   GLU  89           HB2      GLU  89   0.977   2.281   9.551
  726   2HB   GLU  89           HB3      GLU  89   1.924   1.171  10.529
  727   1HG   GLU  89           HG2      GLU  89   3.974   2.166   9.749
  728   2HG   GLU  89           HG3      GLU  89   3.078   3.216   8.654
  729    H    LEU  90           H        LEU  90   0.761  -1.042   7.122
  730    HA   LEU  90           HA       LEU  90  -0.989   0.728   5.646
  731   1HB   LEU  90           HB2      LEU  90  -0.652  -2.269   5.666
  732   2HB   LEU  90           HB3      LEU  90  -1.853  -1.448   4.687
  733    HG   LEU  90           HG       LEU  90   1.124  -0.992   4.474
  734   1HD1  LEU  90          2HD1      LEU  90   0.534  -3.254   3.794
  735   2HD1  LEU  90          1HD1      LEU  90  -0.719  -2.618   2.730
  736   3HD1  LEU  90          3HD1      LEU  90   0.977  -2.271   2.399
  737   1HD2  LEU  90          1HD2      LEU  90  -1.205  -0.052   2.806
  738   2HD2  LEU  90          3HD2      LEU  90  -0.120   0.945   3.776
  739   3HD2  LEU  90          2HD2      LEU  90   0.490   0.111   2.346
  740    H    VAL  91           H        VAL  91  -2.598   1.574   6.827
  741    HA   VAL  91           HA       VAL  91  -3.902   0.031   8.903
  742    HB   VAL  91           HB       VAL  91  -5.192   2.553   8.175
  743   1HG1  VAL  91          2HG1      VAL  91  -3.961   1.452  10.695
  744   2HG1  VAL  91          1HG1      VAL  91  -4.843   2.977  10.598
  745   3HG1  VAL  91          3HG1      VAL  91  -5.669   1.458  10.254
  746   1HG2  VAL  91          1HG2      VAL  91  -2.941   3.165   7.479
  747   2HG2  VAL  91          3HG2      VAL  91  -3.396   4.013   8.959
  748   3HG2  VAL  91          2HG2      VAL  91  -2.304   2.628   9.038
  749    H    TYR  92           H        TYR  92  -6.012  -0.627   8.947
  750    HA   TYR  92           HA       TYR  92  -7.353  -0.890   6.362
  751   1HB   TYR  92           HB2      TYR  92  -6.998  -2.881   7.895
  752   2HB   TYR  92           HB3      TYR  92  -8.132  -2.131   9.012
  753    HD1  TYR  92           HD1      TYR  92 -10.061  -3.407   9.018
  754    HD2  TYR  92           HD2      TYR  92  -8.213  -2.496   5.296
  755    HE1  TYR  92           HE1      TYR  92 -11.933  -4.476   7.834
  756    HE2  TYR  92           HE2      TYR  92 -10.078  -3.560   4.101
  757    HH   TYR  92           HH       TYR  92 -11.820  -5.246   4.534
  758    H    THR  93           H        THR  93  -7.847   1.409   6.359
  759    HA   THR  93           HA       THR  93 -10.007   2.171   8.218
  760    HB   THR  93           HB       THR  93  -8.018   3.514   8.531
  761    HG1  THR  93           HG1      THR  93 -10.155   4.524   8.583
  762   1HG2  THR  93          3HG2      THR  93  -8.155   3.653   5.568
  763   2HG2  THR  93          2HG2      THR  93  -7.596   5.099   6.417
  764   3HG2  THR  93          1HG2      THR  93  -6.752   3.563   6.635
  765    H    ARG  94           H        ARG  94 -11.678   3.528   7.452
  766    HA   ARG  94           HA       ARG  94 -12.346   3.111   4.644
  767   1HB   ARG  94           HB2      ARG  94 -13.901   4.018   7.054
  768   2HB   ARG  94           HB3      ARG  94 -14.537   4.248   5.431
  769   1HG   ARG  94           HG2      ARG  94 -14.510   1.877   5.031
  770   2HG   ARG  94           HG3      ARG  94 -13.732   1.590   6.587
  771   1HD   ARG  94           HD2      ARG  94 -16.088   1.111   6.769
  772   2HD   ARG  94           HD3      ARG  94 -15.704   2.547   7.718
  773    HE   ARG  94           HE       ARG  94 -16.507   3.384   5.181
  774   1HH1  ARG  94          1HH1      ARG  94 -17.851   1.795   7.975
  775   2HH1  ARG  94          2HH1      ARG  94 -19.455   2.387   7.701
  776   1HH2  ARG  94          1HH2      ARG  94 -18.615   4.169   4.812
  777   2HH2  ARG  94          2HH2      ARG  94 -19.890   3.736   5.902
  778    HA   PRO  95           HA       PRO  95 -10.445   7.191   3.946
  779   1HB   PRO  95           HB2      PRO  95 -11.312   7.184   1.281
  780   2HB   PRO  95           HB3      PRO  95  -9.738   6.645   1.868
  781   1HG   PRO  95           HG2      PRO  95 -12.162   5.045   1.210
  782   2HG   PRO  95           HG3      PRO  95 -10.455   4.644   0.970
  783   1HD   PRO  95           HD2      PRO  95 -11.866   3.545   2.945
  784   2HD   PRO  95           HD3      PRO  95 -10.171   4.012   3.176
  785    H    PHE  96           H        PHE  96 -13.687   6.209   2.892
  786    HA   PHE  96           HA       PHE  96 -14.631   8.895   2.643
  787   1HB   PHE  96           HB2      PHE  96 -16.016   6.214   2.627
  788   2HB   PHE  96           HB3      PHE  96 -16.824   7.738   2.327
  789    HD1  PHE  96           HD1      PHE  96 -14.337   5.370   1.038
  790    HD2  PHE  96           HD2      PHE  96 -16.634   8.861   0.235
  791    HE1  PHE  96           HE1      PHE  96 -13.730   5.216  -1.341
  792    HE2  PHE  96           HE2      PHE  96 -16.033   8.713  -2.147
  793    HZ   PHE  96           HZ       PHE  96 -14.579   6.889  -2.937
  794    H    GLU  97           H        GLU  97 -13.670   7.541   5.307
  795    HA   GLU  97           HA       GLU  97 -15.695   8.843   6.950
  796   1HB   GLU  97           HB2      GLU  97 -14.937   5.935   7.191
  797   2HB   GLU  97           HB3      GLU  97 -15.653   6.833   8.521
  798   1HG   GLU  97           HG2      GLU  97 -16.928   6.518   5.814
  799   2HG   GLU  97           HG3      GLU  97 -17.265   5.483   7.202
  800    H    GLY  98           H        GLY  98 -12.566   8.502   6.173
  801   1HA   GLY  98           HA3      GLY  98 -11.668   9.725   8.620
  802   2HA   GLY  98           HA2      GLY  98 -10.679   9.381   7.206
  803    H    ILE  99           H        ILE  99  -9.331   8.912   9.314
  804    HA   ILE  99           HA       ILE  99  -9.426   5.998   9.632
  805    HB   ILE  99           HB       ILE  99  -7.056   7.682  10.341
  806   1HG1  ILE  99          2HG1      ILE  99  -7.545   6.505   7.603
  807   2HG1  ILE  99          3HG1      ILE  99  -7.872   8.192   7.985
  808   1HG2  ILE  99          1HG2      ILE  99  -7.634   4.814   9.772
  809   2HG2  ILE  99          3HG2      ILE  99  -6.021   5.442   9.426
  810   3HG2  ILE  99          2HG2      ILE  99  -6.671   5.535  11.063
  811   1HD1  ILE  99          2HD1      ILE  99  -5.514   8.506   8.559
  812   2HD1  ILE  99          1HD1      ILE  99  -5.194   6.819   8.153
  813   3HD1  ILE  99          3HD1      ILE  99  -5.719   7.946   6.899
  814    H    LYS 100           H        LYS 100  -8.862   5.069  11.671
  815    HA   LYS 100           HA       LYS 100  -9.193   6.802  14.007
  816   1HB   LYS 100           HB2      LYS 100 -10.784   4.290  13.480
  817   2HB   LYS 100           HB3      LYS 100 -10.792   5.182  14.984
  818   1HG   LYS 100           HG2      LYS 100 -11.850   7.050  13.985
  819   2HG   LYS 100           HG3      LYS 100 -11.587   6.412  12.361
  820   1HD   LYS 100           HD2      LYS 100 -13.213   4.887  14.362
  821   2HD   LYS 100           HD3      LYS 100 -13.934   6.194  13.422
  822   1HE   LYS 100           HE2      LYS 100 -13.384   5.082  11.358
  823   2HE   LYS 100           HE3      LYS 100 -12.493   3.831  12.227
  824   1HZ   LYS 100           HZ3      LYS 100 -14.562   3.133  13.265
  825   2HZ   LYS 100           HZ2      LYS 100 -15.413   4.332  12.431
  826   3HZ   LYS 100           HZ1      LYS 100 -14.687   3.064  11.579
  827    HA   PRO 101           HA       PRO 101  -6.071   4.288  15.832
  828   1HB   PRO 101           HB2      PRO 101  -6.821   4.140  18.427
  829   2HB   PRO 101           HB3      PRO 101  -6.231   5.634  17.693
  830   1HG   PRO 101           HG2      PRO 101  -9.045   4.775  18.236
  831   2HG   PRO 101           HG3      PRO 101  -8.294   6.362  18.477
  832   1HD   PRO 101           HD2      PRO 101  -9.853   5.774  16.332
  833   2HD   PRO 101           HD3      PRO 101  -8.527   6.952  16.273
  834    H    GLU 102           H        GLU 102  -9.366   3.301  16.650
  835    HA   GLU 102           HA       GLU 102  -8.727   0.692  17.501
  836   1HB   GLU 102           HB2      GLU 102 -11.159   0.236  17.100
  837   2HB   GLU 102           HB3      GLU 102 -10.823   1.607  18.151
  838   1HG   GLU 102           HG2      GLU 102 -11.163   3.119  16.273
  839   2HG   GLU 102           HG3      GLU 102 -11.526   1.742  15.237
  840    H    ASN 103           H        ASN 103  -9.141   2.106  14.369
  841    HA   ASN 103           HA       ASN 103  -9.774  -0.152  12.853
  842   1HB   ASN 103           HB2      ASN 103  -8.108   2.253  12.088
  843   2HB   ASN 103           HB3      ASN 103  -8.744   1.072  10.948
  844   1HD2  ASN 103          1HD2      ASN 103 -11.235   0.766  12.480
  845   2HD2  ASN 103          2HD2      ASN 103 -12.166   2.179  12.137
  846    H    GLU 104           H        GLU 104  -8.636  -1.815  12.010
  847    HA   GLU 104           HA       GLU 104  -6.223  -2.606  13.193
  848   1HB   GLU 104           HB2      GLU 104  -7.990  -3.573  11.024
  849   2HB   GLU 104           HB3      GLU 104  -6.350  -4.188  11.053
  850   1HG   GLU 104           HG2      GLU 104  -7.747  -5.700  12.250
  851   2HG   GLU 104           HG3      GLU 104  -6.704  -4.879  13.405
  852    H    ARG 105           H        ARG 105  -4.504  -3.528  11.407
  853    HA   ARG 105           HA       ARG 105  -3.883  -1.679   9.316
  854   1HB   ARG 105           HB2      ARG 105  -1.755  -0.876  10.229
  855   2HB   ARG 105           HB3      ARG 105  -3.118  -0.342  11.203
  856   1HG   ARG 105           HG2      ARG 105  -1.879  -2.871  12.031
  857   2HG   ARG 105           HG3      ARG 105  -0.872  -1.429  12.226
  858   1HD   ARG 105           HD2      ARG 105  -1.987  -1.337  14.208
  859   2HD   ARG 105           HD3      ARG 105  -3.148  -0.469  13.202
  860    HE   ARG 105           HE       ARG 105  -3.982  -3.017  12.988
  861   1HH1  ARG 105          1HH1      ARG 105  -3.194  -1.020  15.732
  862   2HH1  ARG 105          2HH1      ARG 105  -4.315  -1.808  16.791
  863   1HH2  ARG 105          1HH2      ARG 105  -5.460  -4.061  14.376
  864   2HH2  ARG 105          2HH2      ARG 105  -5.603  -3.537  16.020
  865    H    TYR 106           H        TYR 106  -1.125  -2.115   9.252
  866    HA   TYR 106           HA       TYR 106  -0.438  -4.862   9.498
  867   1HB   TYR 106           HB2      TYR 106  -1.859  -5.026   7.495
  868   2HB   TYR 106           HB3      TYR 106  -0.884  -3.792   6.697
  869    HD1  TYR 106           HD1      TYR 106   1.187  -4.360   5.645
  870    HD2  TYR 106           HD2      TYR 106  -0.889  -7.255   7.968
  871    HE1  TYR 106           HE1      TYR 106   2.661  -6.118   4.761
  872    HE2  TYR 106           HE2      TYR 106   0.580  -9.021   7.094
  873    HH   TYR 106           HH       TYR 106   2.007  -9.425   5.132
  874    H    THR 107           H        THR 107   1.025  -3.489  10.725
  875    HA   THR 107           HA       THR 107   2.821  -1.702   9.447
  876    HB   THR 107           HB       THR 107   3.518  -3.077  12.012
  877    HG1  THR 107           HG1      THR 107   1.375  -1.274  11.562
  878   1HG2  THR 107          1HG2      THR 107   4.995  -1.349  11.020
  879   2HG2  THR 107          3HG2      THR 107   3.672  -0.191  11.145
  880   3HG2  THR 107          2HG2      THR 107   4.369  -0.894  12.603
  881    H    LEU 108           H        LEU 108   4.122  -2.424   7.894
  882    HA   LEU 108           HA       LEU 108   5.576  -4.940   8.313
  883   1HB   LEU 108           HB2      LEU 108   4.354  -5.018   6.280
  884   2HB   LEU 108           HB3      LEU 108   4.858  -3.403   5.828
  885    HG   LEU 108           HG       LEU 108   7.114  -4.173   5.392
  886   1HD1  LEU 108          1HD1      LEU 108   6.116  -6.837   6.375
  887   2HD1  LEU 108          3HD1      LEU 108   7.637  -6.599   5.513
  888   3HD1  LEU 108          2HD1      LEU 108   7.386  -5.840   7.085
  889   1HD2  LEU 108          2HD2      LEU 108   5.497  -4.358   3.586
  890   2HD2  LEU 108          1HD2      LEU 108   6.681  -5.663   3.509
  891   3HD2  LEU 108          3HD2      LEU 108   5.060  -5.978   4.130
  892    H    HIS 109           H        HIS 109   7.298  -4.249   9.550
  893    HA   HIS 109           HA       HIS 109   8.802  -1.926   8.827
  894   1HB   HIS 109           HB2      HIS 109   9.298  -4.084  10.824
  895   2HB   HIS 109           HB3      HIS 109  10.412  -2.756  10.574
  896    HD1  HIS 109           HD1      HIS 109  10.069  -0.915  12.176
  897    HD2  HIS 109           HD2      HIS 109   6.528  -2.961  11.402
  898    HE1  HIS 109           HE1      HIS 109   8.322   0.202  13.598
  899    HE2  HIS 109           HE2      HIS 109   6.174  -0.993  13.047
  900    H    LEU 110           H        LEU 110  11.006  -1.919   8.183
  901    HA   LEU 110           HA       LEU 110  12.020  -4.324   6.911
  902   1HB   LEU 110           HB2      LEU 110  11.377  -1.787   5.418
  903   2HB   LEU 110           HB3      LEU 110  12.405  -3.050   4.776
  904    HG   LEU 110           HG       LEU 110   9.500  -3.402   5.530
  905   1HD1  LEU 110          1HD1      LEU 110   9.760  -1.930   3.604
  906   2HD1  LEU 110          3HD1      LEU 110  10.784  -3.133   2.818
  907   3HD1  LEU 110          2HD1      LEU 110   9.086  -3.490   3.129
  908   1HD2  LEU 110          2HD2      LEU 110  10.906  -5.438   5.718
  909   2HD2  LEU 110          1HD2      LEU 110   9.656  -5.553   4.478
  910   3HD2  LEU 110          3HD2      LEU 110  11.331  -5.253   4.016
  911    H    ASN 111           H        ASN 111  13.854  -4.335   8.126
  912    HA   ASN 111           HA       ASN 111  15.443  -1.997   8.576
  913   1HB   ASN 111           HB2      ASN 111  15.437  -3.941  10.134
  914   2HB   ASN 111           HB3      ASN 111  16.215  -4.910   8.888
  915   1HD2  ASN 111          1HD2      ASN 111  18.069  -5.304  10.013
  916   2HD2  ASN 111          2HD2      ASN 111  19.228  -4.080  10.393
  917    H    VAL 112           H        VAL 112  15.356  -1.501   6.207
  918    HA   VAL 112           HA       VAL 112  16.556  -2.920   4.189
  919    HB   VAL 112           HB       VAL 112  16.964   0.048   4.349
  920   1HG1  VAL 112          3HG1      VAL 112  17.762  -1.215   2.390
  921   2HG1  VAL 112          2HG1      VAL 112  16.112  -1.767   2.102
  922   3HG1  VAL 112          1HG1      VAL 112  16.501  -0.051   1.978
  923   1HG2  VAL 112          2HG2      VAL 112  14.341  -1.387   4.002
  924   2HG2  VAL 112          1HG2      VAL 112  14.751  -0.143   5.183
  925   3HG2  VAL 112          3HG2      VAL 112  14.612   0.274   3.476
  926    H    LYS 113           H        LYS 113  18.552  -3.648   3.875
  927    HA   LYS 113           HA       LYS 113  20.733  -2.670   5.520
  928   1HB   LYS 113           HB2      LYS 113  20.693  -4.897   3.476
  929   2HB   LYS 113           HB3      LYS 113  21.975  -4.574   4.636
  930   1HG   LYS 113           HG2      LYS 113  19.155  -5.355   5.341
  931   2HG   LYS 113           HG3      LYS 113  20.540  -6.444   5.312
  932   1HD   LYS 113           HD2      LYS 113  20.348  -3.982   7.044
  933   2HD   LYS 113           HD3      LYS 113  19.945  -5.613   7.585
  934   1HE   LYS 113           HE2      LYS 113  22.223  -6.343   7.122
  935   2HE   LYS 113           HE3      LYS 113  22.633  -4.728   6.546
  936   1HZ   LYS 113           HZ3      LYS 113  21.785  -5.413   9.308
  937   2HZ   LYS 113           HZ2      LYS 113  23.366  -5.066   8.819
  938   3HZ   LYS 113           HZ1      LYS 113  22.179  -3.863   8.755

  No H/Q in entry =         938
  Start of MODEL   23
    1    H1   GLY  -2           HT2      GLY  -2 -22.861  -5.788  20.081
    2    H2   GLY  -2           HT1      GLY  -2 -22.196  -6.094  21.606
    3    H3   GLY  -2           HT3      GLY  -2 -23.472  -4.995  21.443
    4   1HA   GLY  -2           HA2      GLY  -2 -21.390  -3.821  21.750
    5   2HA   GLY  -2           HA3      GLY  -2 -22.083  -3.499  20.167
    6    H    SER  -1           H        SER  -1 -21.142  -6.539  19.815
    7    HA   SER  -1           HA       SER  -1 -18.339  -5.890  19.203
    8   1HB   SER  -1           HB2      SER  -1 -17.964  -8.332  19.174
    9   2HB   SER  -1           HB3      SER  -1 -18.626  -7.793  20.717
   10    HG   SER  -1           HG       SER  -1 -20.550  -8.683  20.221
   11    H    HIS   0           H        HIS   0 -17.768  -5.633  17.152
   12    HA   HIS   0           HA       HIS   0 -19.667  -6.181  15.043
   13   1HB   HIS   0           HB2      HIS   0 -18.369  -4.092  15.033
   14   2HB   HIS   0           HB3      HIS   0 -16.876  -5.017  14.918
   15    HD1  HIS   0           HD1      HIS   0 -16.129  -5.728  12.623
   16    HD2  HIS   0           HD2      HIS   0 -19.995  -4.205  12.657
   17    HE1  HIS   0           HE1      HIS   0 -16.780  -5.493  10.206
   18    HE2  HIS   0           HE2      HIS   0 -19.153  -4.647  10.252
   19    H    MET   1           H        MET   1 -16.749  -7.568  16.327
   20    HA   MET   1           HA       MET   1 -16.284  -9.269  14.041
   21   1HB   MET   1           HB2      MET   1 -15.044  -9.285  16.799
   22   2HB   MET   1           HB3      MET   1 -14.499 -10.254  15.436
   23   1HG   MET   1           HG2      MET   1 -13.954  -8.226  14.200
   24   2HG   MET   1           HG3      MET   1 -14.515  -7.247  15.555
   25   1HE   MET   1           HE2      MET   1 -12.504 -10.630  15.721
   26   2HE   MET   1           HE1      MET   1 -11.825  -9.821  14.308
   27   3HE   MET   1           HE3      MET   1 -10.843 -10.037  15.757
   28    H    ILE   2           H        ILE   2 -15.901 -11.701  14.622
   29    HA   ILE   2           HA       ILE   2 -18.410 -12.654  15.802
   30    HB   ILE   2           HB       ILE   2 -17.978 -13.379  13.513
   31   1HG1  ILE   2          2HG1      ILE   2 -18.156 -15.845  13.869
   32   2HG1  ILE   2          3HG1      ILE   2 -17.739 -15.593  15.561
   33   1HG2  ILE   2          1HG2      ILE   2 -15.552 -13.290  13.527
   34   2HG2  ILE   2          3HG2      ILE   2 -15.493 -14.664  14.632
   35   3HG2  ILE   2          2HG2      ILE   2 -16.109 -14.877  12.993
   36   1HD1  ILE   2          3HD1      ILE   2 -20.165 -14.494  14.162
   37   2HD1  ILE   2          2HD1      ILE   2 -20.131 -15.866  15.271
   38   3HD1  ILE   2          1HD1      ILE   2 -19.749 -14.247  15.857
   39    H    ALA   3           H        ALA   3 -14.932 -12.877  16.108
   40    HA   ALA   3           HA       ALA   3 -15.278 -14.192  18.693
   41   1HB   ALA   3           HB1      ALA   3 -14.895 -16.015  17.107
   42   2HB   ALA   3           HB3      ALA   3 -13.396 -15.246  16.586
   43   3HB   ALA   3           HB2      ALA   3 -13.551 -15.846  18.237
   44    HA   PRO   4           HA       PRO   4 -12.239 -10.818  19.130
   45   1HB   PRO   4           HB2      PRO   4 -12.719 -10.346  21.745
   46   2HB   PRO   4           HB3      PRO   4 -13.764  -9.722  20.465
   47   1HG   PRO   4           HG2      PRO   4 -14.135 -12.125  22.213
   48   2HG   PRO   4           HG3      PRO   4 -15.322 -10.899  21.733
   49   1HD   PRO   4           HD2      PRO   4 -15.147 -13.337  20.542
   50   2HD   PRO   4           HD3      PRO   4 -15.695 -11.882  19.688
   51    H    LEU   5           H        LEU   5 -12.291 -13.962  20.096
   52    HA   LEU   5           HA       LEU   5 -10.347 -14.023  22.153
   53   1HB   LEU   5           HB2      LEU   5 -11.263 -16.092  20.164
   54   2HB   LEU   5           HB3      LEU   5 -10.056 -16.430  21.389
   55    HG   LEU   5           HG       LEU   5 -11.758 -15.813  23.130
   56   1HD1  LEU   5          2HD1      LEU   5 -13.612 -15.828  20.753
   57   2HD1  LEU   5          1HD1      LEU   5 -14.119 -15.816  22.442
   58   3HD1  LEU   5          3HD1      LEU   5 -13.230 -14.446  21.778
   59   1HD2  LEU   5          1HD2      LEU   5 -11.275 -18.137  22.562
   60   2HD2  LEU   5          3HD2      LEU   5 -12.980 -17.917  22.960
   61   3HD2  LEU   5          2HD2      LEU   5 -12.480 -18.078  21.276
   62    H    SER   6           H        SER   6 -10.140 -13.518  18.772
   63    HA   SER   6           HA       SER   6  -7.347 -14.301  18.600
   64   1HB   SER   6           HB2      SER   6  -7.538 -13.615  16.233
   65   2HB   SER   6           HB3      SER   6  -8.804 -14.755  16.686
   66    HG   SER   6           HG       SER   6  -9.476 -12.117  17.056
   67    H    VAL   7           H        VAL   7  -5.853 -12.684  17.465
   68    HA   VAL   7           HA       VAL   7  -6.075 -10.123  18.889
   69    HB   VAL   7           HB       VAL   7  -3.666  -9.899  18.605
   70   1HG1  VAL   7          1HG1      VAL   7  -4.496 -11.096  20.564
   71   2HG1  VAL   7          3HG1      VAL   7  -4.431 -12.615  19.670
   72   3HG1  VAL   7          2HG1      VAL   7  -2.942 -11.744  20.036
   73   1HG2  VAL   7          1HG2      VAL   7  -3.831 -12.544  17.165
   74   2HG2  VAL   7          3HG2      VAL   7  -3.397 -10.988  16.458
   75   3HG2  VAL   7          2HG2      VAL   7  -2.337 -11.741  17.649
   76    H    LYS   8           H        LYS   8  -5.319  -8.178  17.792
   77    HA   LYS   8           HA       LYS   8  -6.048  -8.216  14.956
   78   1HB   LYS   8           HB2      LYS   8  -6.073  -6.093  17.074
   79   2HB   LYS   8           HB3      LYS   8  -6.090  -5.667  15.376
   80   1HG   LYS   8           HG2      LYS   8  -8.340  -5.676  16.213
   81   2HG   LYS   8           HG3      LYS   8  -8.138  -7.026  15.093
   82   1HD   LYS   8           HD2      LYS   8  -9.345  -7.860  16.962
   83   2HD   LYS   8           HD3      LYS   8  -7.698  -8.483  17.097
   84   1HE   LYS   8           HE2      LYS   8  -7.162  -6.708  18.696
   85   2HE   LYS   8           HE3      LYS   8  -8.812  -6.098  18.569
   86   1HZ   LYS   8           HZ1      LYS   8  -9.616  -8.205  19.444
   87   2HZ   LYS   8           HZ3      LYS   8  -8.031  -8.782  19.573
   88   3HZ   LYS   8           HZ2      LYS   8  -8.537  -7.479  20.525
   89    H    ASP   9           H        ASP   9  -3.398  -8.646  16.567
   90    HA   ASP   9           HA       ASP   9  -1.470  -6.818  16.063
   91   1HB   ASP   9           HB2      ASP   9  -1.028  -8.976  17.151
   92   2HB   ASP   9           HB3      ASP   9  -1.205  -9.798  15.604
   93    H    ASN  10           H        ASN  10  -0.064  -6.287  14.344
   94    HA   ASN  10           HA       ASN  10  -1.289  -6.624  11.742
   95   1HB   ASN  10           HB2      ASN  10   0.617  -4.999  11.107
   96   2HB   ASN  10           HB3      ASN  10  -0.735  -4.398  12.054
   97   1HD2  ASN  10          1HD2      ASN  10   0.517  -2.705  12.836
   98   2HD2  ASN  10          2HD2      ASN  10   1.706  -2.940  14.065
   99    H    ASP  11           H        ASP  11   2.148  -6.229  12.126
  100    HA   ASP  11           HA       ASP  11   2.578  -8.952  11.129
  101   1HB   ASP  11           HB2      ASP  11   2.494  -7.338   9.220
  102   2HB   ASP  11           HB3      ASP  11   3.906  -6.539   9.899
  103    H    LYS  12           H        LYS  12   5.402  -7.238  10.732
  104    HA   LYS  12           HA       LYS  12   6.355  -7.357  13.444
  105   1HB   LYS  12           HB2      LYS  12   6.505  -9.685  12.959
  106   2HB   LYS  12           HB3      LYS  12   7.143  -9.379  11.350
  107   1HG   LYS  12           HG2      LYS  12   8.918 -10.183  12.693
  108   2HG   LYS  12           HG3      LYS  12   9.185  -8.464  12.408
  109   1HD   LYS  12           HD2      LYS  12   8.245  -7.964  14.625
  110   2HD   LYS  12           HD3      LYS  12   8.021  -9.691  14.907
  111   1HE   LYS  12           HE2      LYS  12  10.659  -8.314  14.419
  112   2HE   LYS  12           HE3      LYS  12  10.053  -8.848  15.986
  113   1HZ   LYS  12           HZ3      LYS  12  10.068 -11.125  15.173
  114   2HZ   LYS  12           HZ2      LYS  12  10.652 -10.611  13.672
  115   3HZ   LYS  12           HZ1      LYS  12  11.610 -10.438  15.055
  116    H    TRP  13           H        TRP  13   8.814  -6.883  13.445
  117    HA   TRP  13           HA       TRP  13   9.539  -5.134  11.203
  118   1HB   TRP  13           HB2      TRP  13  10.155  -4.729  14.139
  119   2HB   TRP  13           HB3      TRP  13  10.569  -3.639  12.825
  120    HD1  TRP  13           HD1      TRP  13   7.923  -3.375  11.282
  121    HE1  TRP  13           HE1      TRP  13   5.851  -2.276  12.336
  122    HE3  TRP  13           HE3      TRP  13   9.121  -3.933  16.221
  123    HZ2  TRP  13           HZ2      TRP  13   4.839  -1.726  14.905
  124    HZ3  TRP  13           HZ3      TRP  13   7.545  -3.094  17.915
  125    HH2  TRP  13           HH2      TRP  13   5.452  -2.013  17.271
  126    H    VAL  14           H        VAL  14  11.397  -5.742  10.185
  127    HA   VAL  14           HA       VAL  14  13.617  -6.870  11.681
  128    HB   VAL  14           HB       VAL  14  13.818  -8.937  10.596
  129   1HG1  VAL  14          2HG1      VAL  14  12.105  -9.002  12.314
  130   2HG1  VAL  14          1HG1      VAL  14  10.872  -8.597  11.120
  131   3HG1  VAL  14          3HG1      VAL  14  11.730 -10.134  11.015
  132   1HG2  VAL  14          2HG2      VAL  14  11.812  -7.894   8.628
  133   2HG2  VAL  14          1HG2      VAL  14  13.447  -8.479   8.339
  134   3HG2  VAL  14          3HG2      VAL  14  12.166  -9.615   8.763
  135    H    ASP  15           H        ASP  15  15.198  -7.753   9.696
  136    HA   ASP  15           HA       ASP  15  15.894  -5.291   8.379
  137   1HB   ASP  15           HB2      ASP  15  17.936  -6.356   7.834
  138   2HB   ASP  15           HB3      ASP  15  17.501  -6.916   9.451
  139    H    THR  16           H        THR  16  16.783  -5.588   6.014
  140    HA   THR  16           HA       THR  16  15.430  -7.375   4.281
  141    HB   THR  16           HB       THR  16  13.572  -5.753   5.037
  142    HG1  THR  16           HG1      THR  16  14.148  -6.878   2.651
  143   1HG2  THR  16          3HG2      THR  16  14.858  -3.681   4.790
  144   2HG2  THR  16          2HG2      THR  16  14.998  -3.975   3.057
  145   3HG2  THR  16          1HG2      THR  16  13.417  -3.671   3.774
  146    H    HIS  17           H        HIS  17  15.358  -6.143   1.928
  147    HA   HIS  17           HA       HIS  17  18.103  -5.153   1.562
  148   1HB   HIS  17           HB2      HIS  17  16.258  -6.653  -0.298
  149   2HB   HIS  17           HB3      HIS  17  17.763  -5.916  -0.832
  150    HD1  HIS  17           HD1      HIS  17  16.436  -8.737   1.251
  151    HD2  HIS  17           HD2      HIS  17  20.081  -7.292  -0.126
  152    HE1  HIS  17           HE1      HIS  17  18.106 -10.551   1.742
  153    HE2  HIS  17           HE2      HIS  17  20.318  -9.623   0.970
  154    H    VAL  18           H        VAL  18  18.109  -3.930  -0.772
  155    HA   VAL  18           HA       VAL  18  16.317  -1.659  -0.330
  156    HB   VAL  18           HB       VAL  18  18.712  -1.167  -0.454
  157   1HG1  VAL  18          3HG1      VAL  18  19.399  -2.960  -1.951
  158   2HG1  VAL  18          2HG1      VAL  18  18.525  -2.202  -3.281
  159   3HG1  VAL  18          1HG1      VAL  18  19.923  -1.395  -2.571
  160   1HG2  VAL  18          1HG2      VAL  18  17.093   0.525  -1.157
  161   2HG2  VAL  18          3HG2      VAL  18  18.594   0.651  -2.076
  162   3HG2  VAL  18          2HG2      VAL  18  17.169  -0.086  -2.810
  163    H    GLY  19           H        GLY  19  14.838  -0.972  -1.735
  164   1HA   GLY  19           HA3      GLY  19  14.725  -1.409  -4.483
  165   2HA   GLY  19           HA2      GLY  19  13.355  -1.011  -3.468
  166    H    LYS  20           H        LYS  20  14.263  -3.721  -2.051
  167    HA   LYS  20           HA       LYS  20  13.611  -5.750  -3.887
  168   1HB   LYS  20           HB2      LYS  20  14.541  -5.711  -1.323
  169   2HB   LYS  20           HB3      LYS  20  12.891  -6.243  -1.072
  170   1HG   LYS  20           HG2      LYS  20  14.033  -8.226  -1.314
  171   2HG   LYS  20           HG3      LYS  20  13.396  -7.946  -2.939
  172   1HD   LYS  20           HD2      LYS  20  15.477  -7.173  -3.727
  173   2HD   LYS  20           HD3      LYS  20  16.103  -7.002  -2.091
  174   1HE   LYS  20           HE2      LYS  20  15.457  -9.583  -3.513
  175   2HE   LYS  20           HE3      LYS  20  17.068  -8.960  -3.161
  176   1HZ   LYS  20           HZ1      LYS  20  16.587  -9.156  -0.801
  177   2HZ   LYS  20           HZ3      LYS  20  15.044  -9.760  -1.141
  178   3HZ   LYS  20           HZ2      LYS  20  16.415 -10.651  -1.573
  179    H    THR  21           H        THR  21  11.823  -4.879  -4.988
  180    HA   THR  21           HA       THR  21   9.470  -3.899  -4.144
  181    HB   THR  21           HB       THR  21   9.556  -6.065  -6.239
  182    HG1  THR  21           HG1      THR  21   9.956  -4.111  -7.622
  183   1HG2  THR  21          3HG2      THR  21   7.334  -5.229  -5.631
  184   2HG2  THR  21          2HG2      THR  21   7.869  -3.577  -5.938
  185   3HG2  THR  21          1HG2      THR  21   7.774  -4.735  -7.267
  186    H    THR  22           H        THR  22   8.562  -4.548  -2.285
  187    HA   THR  22           HA       THR  22   8.013  -7.376  -1.839
  188    HB   THR  22           HB       THR  22   7.606  -4.965  -0.055
  189    HG1  THR  22           HG1      THR  22   9.280  -6.629   1.033
  190   1HG2  THR  22          1HG2      THR  22   5.944  -6.729   0.406
  191   2HG2  THR  22          3HG2      THR  22   7.256  -7.889   0.619
  192   3HG2  THR  22          2HG2      THR  22   7.090  -6.528   1.733
  193    H    GLU  23           H        GLU  23   6.374  -7.923  -3.169
  194    HA   GLU  23           HA       GLU  23   4.004  -6.337  -3.416
  195   1HB   GLU  23           HB2      GLU  23   4.936  -7.729  -5.255
  196   2HB   GLU  23           HB3      GLU  23   4.538  -9.164  -4.320
  197   1HG   GLU  23           HG2      GLU  23   2.210  -8.725  -4.473
  198   2HG   GLU  23           HG3      GLU  23   2.506  -7.117  -5.139
  199    H    ILE  24           H        ILE  24   2.166  -6.531  -2.301
  200    HA   ILE  24           HA       ILE  24   1.831  -8.887  -0.583
  201    HB   ILE  24           HB       ILE  24   1.249  -6.072   0.291
  202   1HG1  ILE  24          2HG1      ILE  24   3.541  -7.888   1.060
  203   2HG1  ILE  24          3HG1      ILE  24   3.667  -6.431   0.083
  204   1HG2  ILE  24          2HG2      ILE  24  -0.183  -7.786   1.289
  205   2HG2  ILE  24          1HG2      ILE  24   1.248  -8.671   1.820
  206   3HG2  ILE  24          3HG2      ILE  24   0.900  -7.074   2.487
  207   1HD1  ILE  24          1HD1      ILE  24   2.908  -5.102   1.998
  208   2HD1  ILE  24          3HD1      ILE  24   2.859  -6.570   2.974
  209   3HD1  ILE  24          2HD1      ILE  24   4.395  -5.990   2.331
  210    H    HIS  25           H        HIS  25   0.146  -9.834  -1.552
  211    HA   HIS  25           HA       HIS  25  -2.138  -8.292  -2.440
  212   1HB   HIS  25           HB2      HIS  25  -2.025 -11.290  -2.292
  213   2HB   HIS  25           HB3      HIS  25  -2.937 -10.280  -3.399
  214    HD1  HIS  25           HD1      HIS  25  -0.065 -12.361  -3.341
  215    HD2  HIS  25           HD2      HIS  25  -1.023  -8.762  -5.183
  216    HE1  HIS  25           HE1      HIS  25   1.559 -12.127  -5.247
  217    HE2  HIS  25           HE2      HIS  25   0.879 -10.003  -6.418
  218    H    LEU  26           H        LEU  26  -3.207  -7.484  -0.718
  219    HA   LEU  26           HA       LEU  26  -3.729  -9.165   1.608
  220   1HB   LEU  26           HB2      LEU  26  -4.516  -6.300   1.131
  221   2HB   LEU  26           HB3      LEU  26  -4.565  -7.154   2.658
  222    HG   LEU  26           HG       LEU  26  -1.965  -6.754   1.208
  223   1HD1  LEU  26          1HD1      LEU  26  -2.977  -4.545   1.413
  224   2HD1  LEU  26          3HD1      LEU  26  -3.263  -4.827   3.131
  225   3HD1  LEU  26          2HD1      LEU  26  -1.613  -4.720   2.517
  226   1HD2  LEU  26          3HD2      LEU  26  -2.078  -8.350   3.084
  227   2HD2  LEU  26          2HD2      LEU  26  -1.025  -6.975   3.424
  228   3HD2  LEU  26          1HD2      LEU  26  -2.639  -7.047   4.133
  229    H    LYS  27           H        LYS  27  -5.791  -9.703   2.300
  230    HA   LYS  27           HA       LYS  27  -7.797  -9.675   0.177
  231   1HB   LYS  27           HB2      LYS  27  -7.962 -11.174   2.783
  232   2HB   LYS  27           HB3      LYS  27  -8.877 -11.463   1.313
  233   1HG   LYS  27           HG2      LYS  27  -6.729 -12.069   0.186
  234   2HG   LYS  27           HG3      LYS  27  -5.950 -11.976   1.768
  235   1HD   LYS  27           HD2      LYS  27  -7.468 -13.699   2.619
  236   2HD   LYS  27           HD3      LYS  27  -8.241 -13.797   1.036
  237   1HE   LYS  27           HE2      LYS  27  -5.353 -14.417   1.642
  238   2HE   LYS  27           HE3      LYS  27  -6.626 -15.600   1.343
  239   1HZ   LYS  27           HZ1      LYS  27  -6.883 -14.703  -0.888
  240   2HZ   LYS  27           HZ3      LYS  27  -5.653 -13.575  -0.601
  241   3HZ   LYS  27           HZ2      LYS  27  -5.295 -15.228  -0.631
  242    H    GLY  28           H        GLY  28 -10.068  -9.325   0.799
  243   1HA   GLY  28           HA3      GLY  28 -10.327  -6.810   2.102
  244   2HA   GLY  28           HA2      GLY  28 -10.932  -8.103   3.122
  245    H    ASN  29           H        ASN  29 -12.176  -5.797   1.562
  246    HA   ASN  29           HA       ASN  29 -13.772  -6.840  -0.505
  247   1HB   ASN  29           HB2      ASN  29 -14.703  -8.168   1.405
  248   2HB   ASN  29           HB3      ASN  29 -15.203  -6.655   2.154
  249   1HD2  ASN  29          1HD2      ASN  29 -17.367  -7.187   2.092
  250   2HD2  ASN  29          2HD2      ASN  29 -18.276  -7.217   0.623
  251    HA   PRO  30           HA       PRO  30 -13.486  -2.242  -0.304
  252   1HB   PRO  30           HB2      PRO  30 -14.344  -2.741  -3.113
  253   2HB   PRO  30           HB3      PRO  30 -13.096  -1.654  -2.494
  254   1HG   PRO  30           HG2      PRO  30 -12.422  -3.940  -3.661
  255   2HG   PRO  30           HG3      PRO  30 -11.555  -3.377  -2.219
  256   1HD   PRO  30           HD2      PRO  30 -13.630  -5.511  -2.472
  257   2HD   PRO  30           HD3      PRO  30 -12.176  -5.465  -1.455
  258    H    THR  31           H        THR  31 -16.062  -4.415  -1.063
  259    HA   THR  31           HA       THR  31 -18.043  -2.338  -1.411
  260    HB   THR  31           HB       THR  31 -19.669  -4.154  -1.558
  261    HG1  THR  31           HG1      THR  31 -19.200  -5.919  -0.499
  262   1HG2  THR  31          1HG2      THR  31 -18.402  -3.576  -3.567
  263   2HG2  THR  31          3HG2      THR  31 -17.150  -4.735  -3.118
  264   3HG2  THR  31          2HG2      THR  31 -18.769  -5.300  -3.530
  265    H    THR  32           H        THR  32 -16.431  -2.996   1.205
  266    HA   THR  32           HA       THR  32 -18.696  -3.317   3.032
  267    HB   THR  32           HB       THR  32 -16.970  -3.477   4.815
  268    HG1  THR  32           HG1      THR  32 -15.072  -2.712   4.281
  269   1HG2  THR  32          2HG2      THR  32 -16.604  -5.367   2.488
  270   2HG2  THR  32          1HG2      THR  32 -16.112  -5.683   4.151
  271   3HG2  THR  32          3HG2      THR  32 -17.821  -5.503   3.758
  272    H    GLY  33           H        GLY  33 -15.782  -1.246   2.942
  273   1HA   GLY  33           HA3      GLY  33 -17.076   0.758   4.555
  274   2HA   GLY  33           HA2      GLY  33 -16.918   1.224   2.869
  275    H    TYR  34           H        TYR  34 -14.629  -0.687   4.774
  276    HA   TYR  34           HA       TYR  34 -12.840   1.567   5.069
  277   1HB   TYR  34           HB2      TYR  34 -12.606  -1.334   5.867
  278   2HB   TYR  34           HB3      TYR  34 -11.331  -0.152   6.138
  279    HD1  TYR  34           HD1      TYR  34 -14.779  -1.099   7.046
  280    HD2  TYR  34           HD2      TYR  34 -11.460   1.419   7.941
  281    HE1  TYR  34           HE1      TYR  34 -15.840  -0.463   9.171
  282    HE2  TYR  34           HE2      TYR  34 -12.517   2.058  10.067
  283    HH   TYR  34           HH       TYR  34 -15.175   0.411  11.373
  284    H    MET  35           H        MET  35 -10.384   0.800   4.684
  285    HA   MET  35           HA       MET  35 -10.042  -0.465   2.106
  286   1HB   MET  35           HB2      MET  35 -10.253   1.652   1.225
  287   2HB   MET  35           HB3      MET  35  -9.693   2.432   2.698
  288   1HG   MET  35           HG2      MET  35  -7.406   1.539   2.153
  289   2HG   MET  35           HG3      MET  35  -8.060   1.100   0.591
  290   1HE   MET  35           HE3      MET  35  -6.172   2.502  -0.571
  291   2HE   MET  35           HE2      MET  35  -7.706   2.655  -1.425
  292   3HE   MET  35           HE1      MET  35  -6.693   4.075  -1.173
  293    H    TRP  36           H        TRP  36  -7.945  -1.182   1.779
  294    HA   TRP  36           HA       TRP  36  -6.235  -1.114   4.169
  295   1HB   TRP  36           HB2      TRP  36  -6.926  -3.189   2.252
  296   2HB   TRP  36           HB3      TRP  36  -5.190  -3.009   2.442
  297    HD1  TRP  36           HD1      TRP  36  -7.945  -4.889   3.849
  298    HE1  TRP  36           HE1      TRP  36  -7.382  -5.804   6.189
  299    HE3  TRP  36           HE3      TRP  36  -3.813  -2.051   4.862
  300    HZ2  TRP  36           HZ2      TRP  36  -5.449  -5.379   8.194
  301    HZ3  TRP  36           HZ3      TRP  36  -2.668  -2.370   7.016
  302    HH2  TRP  36           HH2      TRP  36  -3.470  -3.999   8.646
  303    H    THR  37           H        THR  37  -5.292   0.898   3.707
  304    HA   THR  37           HA       THR  37  -3.367   0.807   1.480
  305    HB   THR  37           HB       THR  37  -5.292   2.288   0.920
  306    HG1  THR  37           HG1      THR  37  -3.924   4.057   0.315
  307   1HG2  THR  37          1HG2      THR  37  -5.807   3.081   3.180
  308   2HG2  THR  37          3HG2      THR  37  -4.266   3.937   3.243
  309   3HG2  THR  37          2HG2      THR  37  -5.506   4.435   2.092
  310    H    ARG  38           H        ARG  38  -1.942   3.090   1.932
  311    HA   ARG  38           HA       ARG  38  -0.406   2.386   4.232
  312   1HB   ARG  38           HB2      ARG  38  -0.121   4.129   1.936
  313   2HB   ARG  38           HB3      ARG  38   0.404   4.932   3.407
  314   1HG   ARG  38           HG2      ARG  38   2.278   3.750   3.499
  315   2HG   ARG  38           HG3      ARG  38   1.421   2.233   3.236
  316   1HD   ARG  38           HD2      ARG  38   2.269   4.179   1.095
  317   2HD   ARG  38           HD3      ARG  38   3.037   2.654   1.453
  318    HE   ARG  38           HE       ARG  38   0.780   3.027  -0.174
  319   1HH1  ARG  38          1HH1      ARG  38   2.097   0.858   2.207
  320   2HH1  ARG  38          2HH1      ARG  38   1.195  -0.512   1.651
  321   1HH2  ARG  38          1HH2      ARG  38  -0.416   1.214  -0.914
  322   2HH2  ARG  38          2HH2      ARG  38  -0.228  -0.309  -0.116
  323    H    VAL  39           H        VAL  39  -0.123   3.500   6.164
  324    HA   VAL  39           HA       VAL  39  -2.385   4.714   7.290
  325    HB   VAL  39           HB       VAL  39   0.490   4.740   8.224
  326   1HG1  VAL  39          3HG1      VAL  39  -2.000   5.614   9.684
  327   2HG1  VAL  39          2HG1      VAL  39  -0.419   5.383  10.430
  328   3HG1  VAL  39          1HG1      VAL  39  -0.643   6.635   9.208
  329   1HG2  VAL  39          1HG2      VAL  39  -0.721   2.541   8.068
  330   2HG2  VAL  39          3HG2      VAL  39  -0.120   2.959   9.673
  331   3HG2  VAL  39          2HG2      VAL  39  -1.833   3.150   9.293
  332    H    GLY  40           H        GLY  40  -3.018   6.783   7.587
  333   1HA   GLY  40           HA3      GLY  40  -1.320   9.041   7.326
  334   2HA   GLY  40           HA2      GLY  40  -3.073   9.072   7.415
  335    H    PHE  41           H        PHE  41  -2.301   7.045   4.929
  336    HA   PHE  41           HA       PHE  41  -2.341   9.242   2.968
  337   1HB   PHE  41           HB2      PHE  41  -1.209   6.454   2.668
  338   2HB   PHE  41           HB3      PHE  41  -1.265   7.660   1.390
  339    HD1  PHE  41           HD1      PHE  41   1.215   6.264   2.441
  340    HD2  PHE  41           HD2      PHE  41  -0.629   9.958   3.485
  341    HE1  PHE  41           HE1      PHE  41   3.390   7.138   3.185
  342    HE2  PHE  41           HE2      PHE  41   1.546  10.837   4.225
  343    HZ   PHE  41           HZ       PHE  41   3.558   9.426   4.078
  344    H    VAL  42           H        VAL  42  -4.685   8.337   4.159
  345    HA   VAL  42           HA       VAL  42  -5.977   6.447   2.407
  346    HB   VAL  42           HB       VAL  42  -6.608   6.475   4.746
  347   1HG1  VAL  42          3HG1      VAL  42  -6.157   8.838   5.205
  348   2HG1  VAL  42          2HG1      VAL  42  -7.588   9.286   4.275
  349   3HG1  VAL  42          1HG1      VAL  42  -7.759   8.356   5.764
  350   1HG2  VAL  42          1HG2      VAL  42  -8.801   7.440   2.918
  351   2HG2  VAL  42          3HG2      VAL  42  -8.315   5.770   3.210
  352   3HG2  VAL  42          2HG2      VAL  42  -9.066   6.707   4.501
  353    H    GLY  43           H        GLY  43  -7.089   6.891   0.615
  354   1HA   GLY  43           HA3      GLY  43  -8.542   9.323   0.240
  355   2HA   GLY  43           HA2      GLY  43  -8.325   8.048  -0.947
  356    H    LYS  44           H        LYS  44  -5.362   9.109   0.290
  357    HA   LYS  44           HA       LYS  44  -4.938  11.428  -1.246
  358   1HB   LYS  44           HB2      LYS  44  -3.033   9.425  -0.040
  359   2HB   LYS  44           HB3      LYS  44  -2.496  10.876  -0.869
  360   1HG   LYS  44           HG2      LYS  44  -3.921  12.179   0.765
  361   2HG   LYS  44           HG3      LYS  44  -4.070  10.674   1.675
  362   1HD   LYS  44           HD2      LYS  44  -1.656  10.553   1.916
  363   2HD   LYS  44           HD3      LYS  44  -1.466  12.012   0.943
  364   1HE   LYS  44           HE2      LYS  44  -2.883  11.829   3.598
  365   2HE   LYS  44           HE3      LYS  44  -1.272  12.496   3.331
  366   1HZ   LYS  44           HZ1      LYS  44  -2.256  14.193   1.912
  367   2HZ   LYS  44           HZ3      LYS  44  -3.801  13.559   2.191
  368   3HZ   LYS  44           HZ2      LYS  44  -2.923  14.242   3.465
  369    H    ASP  45           H        ASP  45  -3.075  11.479  -2.900
  370    HA   ASP  45           HA       ASP  45  -3.873   9.829  -5.114
  371   1HB   ASP  45           HB2      ASP  45  -1.973  12.127  -4.751
  372   2HB   ASP  45           HB3      ASP  45  -1.992  11.200  -6.242
  373    H    VAL  46           H        VAL  46  -0.679  10.606  -3.767
  374    HA   VAL  46           HA       VAL  46   0.244   7.929  -4.566
  375    HB   VAL  46           HB       VAL  46   1.456   9.975  -5.433
  376   1HG1  VAL  46          3HG1      VAL  46   1.361  11.307  -3.388
  377   2HG1  VAL  46          2HG1      VAL  46   2.402  10.136  -2.577
  378   3HG1  VAL  46          1HG1      VAL  46   3.024  11.080  -3.931
  379   1HG2  VAL  46          2HG2      VAL  46   3.025   7.980  -3.803
  380   2HG2  VAL  46          1HG2      VAL  46   2.466   7.763  -5.461
  381   3HG2  VAL  46          3HG2      VAL  46   3.678   8.990  -5.093
  382    H    LEU  47           H        LEU  47   0.898   6.507  -3.155
  383    HA   LEU  47           HA       LEU  47   0.473   7.003  -0.343
  384   1HB   LEU  47           HB2      LEU  47   1.527   4.510  -1.671
  385   2HB   LEU  47           HB3      LEU  47   0.761   4.633  -0.100
  386    HG   LEU  47           HG       LEU  47  -0.598   5.091  -2.765
  387   1HD1  LEU  47          3HD1      LEU  47  -0.783   2.792  -0.834
  388   2HD1  LEU  47          2HD1      LEU  47  -1.800   3.018  -2.258
  389   3HD1  LEU  47          1HD1      LEU  47  -0.065   2.764  -2.443
  390   1HD2  LEU  47          1HD2      LEU  47  -1.719   5.052   0.035
  391   2HD2  LEU  47          3HD2      LEU  47  -1.591   6.457  -1.025
  392   3HD2  LEU  47          2HD2      LEU  47  -2.672   5.128  -1.448
  393    H    SER  48           H        SER  48   3.107   5.564  -2.208
  394    HA   SER  48           HA       SER  48   5.139   5.709  -0.370
  395   1HB   SER  48           HB2      SER  48   6.649   5.524  -2.228
  396   2HB   SER  48           HB3      SER  48   5.199   4.616  -2.633
  397    HG   SER  48           HG       SER  48   4.898   5.897  -4.259
  398    H    ASP  49           H        ASP  49   7.194   7.169  -0.780
  399    HA   ASP  49           HA       ASP  49   6.556   9.917  -1.423
  400   1HB   ASP  49           HB2      ASP  49   7.186   9.050   1.393
  401   2HB   ASP  49           HB3      ASP  49   7.447  10.701   0.837
  402    H    GLU  50           H        GLU  50   9.053   9.017   0.841
  403    HA   GLU  50           HA       GLU  50  11.076   9.239  -1.280
  404   1HB   GLU  50           HB2      GLU  50  12.432  10.634   0.166
  405   2HB   GLU  50           HB3      GLU  50  10.842  11.360  -0.035
  406   1HG   GLU  50           HG2      GLU  50  10.167  10.441   2.141
  407   2HG   GLU  50           HG3      GLU  50  11.798   9.803   2.354
  408    H    ILE  51           H        ILE  51  10.117   7.973   1.826
  409    HA   ILE  51           HA       ILE  51  12.537   6.595   2.412
  410    HB   ILE  51           HB       ILE  51   9.790   5.894   3.430
  411   1HG1  ILE  51          2HG1      ILE  51  10.249   8.329   3.649
  412   2HG1  ILE  51          3HG1      ILE  51  10.105   7.506   5.195
  413   1HG2  ILE  51          2HG2      ILE  51  12.547   5.552   4.602
  414   2HG2  ILE  51          1HG2      ILE  51  11.035   5.159   5.421
  415   3HG2  ILE  51          3HG2      ILE  51  11.506   4.277   3.969
  416   1HD1  ILE  51          3HD1      ILE  51  12.705   8.228   3.864
  417   2HD1  ILE  51          2HD1      ILE  51  11.927   9.154   5.148
  418   3HD1  ILE  51          1HD1      ILE  51  12.504   7.517   5.466
  419    H    LEU  52           H        LEU  52   9.363   5.109   1.850
  420    HA   LEU  52           HA       LEU  52  10.739   2.964   0.366
  421   1HB   LEU  52           HB2      LEU  52   8.031   2.762   1.668
  422   2HB   LEU  52           HB3      LEU  52   9.024   1.457   1.054
  423    HG   LEU  52           HG       LEU  52   9.620   3.131   3.491
  424   1HD1  LEU  52          3HD1      LEU  52   8.761   0.255   3.213
  425   2HD1  LEU  52          2HD1      LEU  52   9.206   1.057   4.719
  426   3HD1  LEU  52          1HD1      LEU  52   7.775   1.579   3.832
  427   1HD2  LEU  52          2HD2      LEU  52  11.112   0.788   2.324
  428   2HD2  LEU  52          1HD2      LEU  52  11.669   2.460   2.364
  429   3HD2  LEU  52          3HD2      LEU  52  11.460   1.563   3.868
  430    H    GLU  53           H        GLU  53  10.359   2.853  -1.755
  431    HA   GLU  53           HA       GLU  53   8.416   4.456  -3.060
  432   1HB   GLU  53           HB2      GLU  53  10.534   2.594  -3.808
  433   2HB   GLU  53           HB3      GLU  53   9.137   2.474  -4.866
  434   1HG   GLU  53           HG2      GLU  53  10.089   5.189  -4.259
  435   2HG   GLU  53           HG3      GLU  53  11.153   4.181  -5.238
  436    H    VAL  54           H        VAL  54   6.582   3.678  -1.709
  437    HA   VAL  54           HA       VAL  54   5.631   1.010  -2.123
  438    HB   VAL  54           HB       VAL  54   3.745   3.057  -1.112
  439   1HG1  VAL  54          2HG1      VAL  54   4.532   0.239  -0.425
  440   2HG1  VAL  54          1HG1      VAL  54   3.416   1.182   0.559
  441   3HG1  VAL  54          3HG1      VAL  54   3.017   0.818  -1.119
  442   1HG2  VAL  54          3HG2      VAL  54   6.208   2.222   0.416
  443   2HG2  VAL  54          2HG2      VAL  54   5.768   3.856  -0.081
  444   3HG2  VAL  54          1HG2      VAL  54   4.799   3.012   1.124
  445    H    VAL  55           H        VAL  55   5.293   0.722  -4.286
  446    HA   VAL  55           HA       VAL  55   3.316   2.406  -5.614
  447    HB   VAL  55           HB       VAL  55   4.817   0.068  -6.776
  448   1HG1  VAL  55          2HG1      VAL  55   2.709   0.927  -7.872
  449   2HG1  VAL  55          1HG1      VAL  55   3.589   2.420  -8.195
  450   3HG1  VAL  55          3HG1      VAL  55   4.150   0.899  -8.891
  451   1HG2  VAL  55          1HG2      VAL  55   5.569   2.994  -6.826
  452   2HG2  VAL  55          3HG2      VAL  55   6.439   1.704  -5.994
  453   3HG2  VAL  55          2HG2      VAL  55   6.361   1.722  -7.756
  454    H    CYS  56           H        CYS  56   1.499   1.735  -4.474
  455    HA   CYS  56           HA       CYS  56   0.755  -1.089  -4.775
  456   1HB   CYS  56           HB2      CYS  56   0.669  -0.603  -2.496
  457   2HB   CYS  56           HB3      CYS  56  -0.008   0.995  -2.763
  458    HG   CYS  56           HG       CYS  56  -2.334   0.186  -2.046
  459    H    LYS  57           H        LYS  57  -1.119  -1.697  -5.676
  460    HA   LYS  57           HA       LYS  57  -2.751   0.408  -6.920
  461   1HB   LYS  57           HB2      LYS  57  -2.449  -2.377  -8.008
  462   2HB   LYS  57           HB3      LYS  57  -3.070  -0.953  -8.826
  463   1HG   LYS  57           HG2      LYS  57  -0.858   0.022  -8.889
  464   2HG   LYS  57           HG3      LYS  57  -0.207  -1.345  -7.982
  465   1HD   LYS  57           HD2      LYS  57  -0.877  -2.848  -9.821
  466   2HD   LYS  57           HD3      LYS  57  -1.442  -1.446 -10.734
  467   1HE   LYS  57           HE2      LYS  57   0.790  -2.135 -11.451
  468   2HE   LYS  57           HE3      LYS  57   0.812  -0.523 -10.737
  469   1HZ   LYS  57           HZ2      LYS  57   1.602  -3.032  -9.358
  470   2HZ   LYS  57           HZ1      LYS  57   2.664  -1.861  -9.959
  471   3HZ   LYS  57           HZ3      LYS  57   1.627  -1.484  -8.676
  472    H    TYR  58           H        TYR  58  -4.662   0.516  -5.985
  473    HA   TYR  58           HA       TYR  58  -5.685  -1.702  -4.451
  474   1HB   TYR  58           HB2      TYR  58  -5.919   0.702  -3.715
  475   2HB   TYR  58           HB3      TYR  58  -7.067   0.927  -5.033
  476    HD1  TYR  58           HD1      TYR  58  -8.727  -1.448  -4.946
  477    HD2  TYR  58           HD2      TYR  58  -7.074   0.792  -1.712
  478    HE1  TYR  58           HE1      TYR  58 -10.538  -2.243  -3.504
  479    HE2  TYR  58           HE2      TYR  58  -8.905   0.019  -0.262
  480    HH   TYR  58           HH       TYR  58 -11.201  -0.844  -0.475
  481    H    THR  59           H        THR  59  -6.341  -3.333  -5.703
  482    HA   THR  59           HA       THR  59  -8.069  -2.771  -8.000
  483    HB   THR  59           HB       THR  59  -7.348  -5.575  -7.370
  484    HG1  THR  59           HG1      THR  59  -5.347  -3.922  -8.502
  485   1HG2  THR  59          3HG2      THR  59  -8.528  -4.922  -9.431
  486   2HG2  THR  59          2HG2      THR  59  -7.165  -3.896  -9.880
  487   3HG2  THR  59          1HG2      THR  59  -6.958  -5.645  -9.786
  488    HA   PRO  60           HA       PRO  60 -11.396  -4.103  -5.295
  489   1HB   PRO  60           HB2      PRO  60 -13.317  -2.678  -6.481
  490   2HB   PRO  60           HB3      PRO  60 -12.059  -1.898  -5.520
  491   1HG   PRO  60           HG2      PRO  60 -12.428  -1.960  -8.453
  492   2HG   PRO  60           HG3      PRO  60 -11.612  -0.755  -7.447
  493   1HD   PRO  60           HD2      PRO  60 -10.433  -2.888  -8.946
  494   2HD   PRO  60           HD3      PRO  60  -9.625  -1.687  -7.919
  495    H    THR  61           H        THR  61 -13.880  -4.580  -6.010
  496    HA   THR  61           HA       THR  61 -13.860  -7.074  -7.263
  497    HB   THR  61           HB       THR  61 -16.340  -5.393  -7.219
  498    HG1  THR  61           HG1      THR  61 -14.735  -5.996  -5.076
  499   1HG2  THR  61          1HG2      THR  61 -16.489  -7.674  -8.081
  500   2HG2  THR  61          3HG2      THR  61 -15.799  -8.293  -6.581
  501   3HG2  THR  61          2HG2      THR  61 -17.382  -7.514  -6.568
  502    HA   PRO  62           HA       PRO  62 -13.588  -6.293 -11.615
  503   1HB   PRO  62           HB2      PRO  62 -15.457  -8.270 -12.341
  504   2HB   PRO  62           HB3      PRO  62 -13.710  -8.478 -12.200
  505   1HG   PRO  62           HG2      PRO  62 -15.860  -9.107 -10.230
  506   2HG   PRO  62           HG3      PRO  62 -14.357  -9.983 -10.569
  507   1HD   PRO  62           HD2      PRO  62 -14.591  -8.477  -8.390
  508   2HD   PRO  62           HD3      PRO  62 -13.074  -8.487  -9.317
  509    H    SER  63           H        SER  63 -14.810  -5.453 -13.340
  510    HA   SER  63           HA       SER  63 -17.194  -4.037 -12.503
  511   1HB   SER  63           HB2      SER  63 -15.692  -3.985 -15.134
  512   2HB   SER  63           HB3      SER  63 -16.997  -2.891 -14.678
  513    HG   SER  63           HG       SER  63 -14.710  -3.145 -13.057
  514    H    SER  64           H        SER  64 -18.634  -3.814 -14.825
  515    HA   SER  64           HA       SER  64 -20.103  -6.265 -14.817
  516   1HB   SER  64           HB2      SER  64 -21.241  -4.104 -15.032
  517   2HB   SER  64           HB3      SER  64 -20.414  -3.808 -16.560
  518    HG   SER  64           HG       SER  64 -21.843  -4.999 -17.522
  519    H    THR  65           H        THR  65 -17.298  -5.506 -16.313
  520    HA   THR  65           HA       THR  65 -17.733  -6.465 -18.953
  521    HB   THR  65           HB       THR  65 -15.265  -6.631 -19.087
  522    HG1  THR  65           HG1      THR  65 -14.803  -7.227 -16.944
  523   1HG2  THR  65          1HG2      THR  65 -16.283  -4.086 -17.816
  524   2HG2  THR  65          3HG2      THR  65 -14.794  -4.245 -18.749
  525   3HG2  THR  65          2HG2      THR  65 -16.355  -4.491 -19.531
  526    HA   PRO  66           HA       PRO  66 -17.575 -10.837 -18.311
  527   1HB   PRO  66           HB2      PRO  66 -16.660 -11.712 -20.670
  528   2HB   PRO  66           HB3      PRO  66 -18.234 -10.913 -20.541
  529   1HG   PRO  66           HG2      PRO  66 -15.582  -9.740 -21.339
  530   2HG   PRO  66           HG3      PRO  66 -17.147  -9.597 -22.167
  531   1HD   PRO  66           HD2      PRO  66 -16.196  -7.672 -20.526
  532   2HD   PRO  66           HD3      PRO  66 -17.932  -8.029 -20.655
  533    H    MET  67           H        MET  67 -15.006  -9.054 -17.982
  534    HA   MET  67           HA       MET  67 -12.783 -10.679 -18.524
  535   1HB   MET  67           HB2      MET  67 -13.109  -8.579 -16.376
  536   2HB   MET  67           HB3      MET  67 -11.577  -9.254 -16.913
  537   1HG   MET  67           HG2      MET  67 -13.491  -7.663 -18.607
  538   2HG   MET  67           HG3      MET  67 -11.995  -7.064 -17.890
  539   1HE   MET  67           HE2      MET  67 -10.031  -9.524 -18.263
  540   2HE   MET  67           HE1      MET  67  -9.281  -9.122 -19.808
  541   3HE   MET  67           HE3      MET  67  -9.578  -7.856 -18.617
  542    H    VAL  68           H        VAL  68 -15.134 -10.776 -16.030
  543    HA   VAL  68           HA       VAL  68 -15.428 -12.034 -14.160
  544    HB   VAL  68           HB       VAL  68 -13.940 -13.910 -15.968
  545   1HG1  VAL  68          2HG1      VAL  68 -15.231 -14.539 -13.314
  546   2HG1  VAL  68          1HG1      VAL  68 -14.726 -15.747 -14.495
  547   3HG1  VAL  68          3HG1      VAL  68 -13.526 -14.708 -13.729
  548   1HG2  VAL  68          1HG2      VAL  68 -16.130 -13.206 -16.732
  549   2HG2  VAL  68          3HG2      VAL  68 -16.159 -14.907 -16.271
  550   3HG2  VAL  68          2HG2      VAL  68 -16.843 -13.691 -15.193
  551    H    GLY  69           H        GLY  69 -14.412 -11.177 -12.433
  552   1HA   GLY  69           HA3      GLY  69 -11.991 -12.428 -11.523
  553   2HA   GLY  69           HA2      GLY  69 -12.909 -11.195 -10.675
  554    H    VAL  70           H        VAL  70 -12.374  -9.040 -10.923
  555    HA   VAL  70           HA       VAL  70  -9.771  -8.573 -12.198
  556    HB   VAL  70           HB       VAL  70 -12.081  -6.635 -12.410
  557   1HG1  VAL  70          2HG1      VAL  70  -9.338  -6.643 -13.666
  558   2HG1  VAL  70          1HG1      VAL  70 -10.615  -5.478 -14.010
  559   3HG1  VAL  70          3HG1      VAL  70  -9.906  -5.557 -12.397
  560   1HG2  VAL  70          2HG2      VAL  70 -10.943  -8.483 -14.506
  561   2HG2  VAL  70          1HG2      VAL  70 -12.538  -8.604 -13.762
  562   3HG2  VAL  70          3HG2      VAL  70 -12.147  -7.226 -14.791
  563    H    GLY  71           H        GLY  71  -9.311  -8.917  -9.806
  564   1HA   GLY  71           HA3      GLY  71  -9.461  -6.292  -8.466
  565   2HA   GLY  71           HA2      GLY  71  -8.122  -7.415  -8.294
  566    H    GLY  72           H        GLY  72 -10.119  -6.102  -6.399
  567   1HA   GLY  72           HA3      GLY  72 -11.320  -8.488  -5.200
  568   2HA   GLY  72           HA2      GLY  72 -11.664  -6.823  -4.759
  569    H    ILE  73           H        ILE  73  -8.560  -6.512  -4.878
  570    HA   ILE  73           HA       ILE  73  -8.190  -7.110  -2.062
  571    HB   ILE  73           HB       ILE  73  -5.938  -8.073  -2.483
  572   1HG1  ILE  73          2HG1      ILE  73  -6.807  -8.774  -5.249
  573   2HG1  ILE  73          3HG1      ILE  73  -6.008  -7.232  -4.947
  574   1HG2  ILE  73          1HG2      ILE  73  -7.910  -9.437  -1.898
  575   2HG2  ILE  73          3HG2      ILE  73  -8.144  -9.754  -3.618
  576   3HG2  ILE  73          2HG2      ILE  73  -6.673 -10.304  -2.808
  577   1HD1  ILE  73          2HD1      ILE  73  -4.113  -8.436  -3.950
  578   2HD1  ILE  73          1HD1      ILE  73  -4.906  -9.963  -4.335
  579   3HD1  ILE  73          3HD1      ILE  73  -4.393  -8.886  -5.634
  580    H    TYR  74           H        TYR  74  -5.495  -6.598  -1.891
  581    HA   TYR  74           HA       TYR  74  -5.130  -3.924  -3.042
  582   1HB   TYR  74           HB2      TYR  74  -4.239  -4.433  -0.236
  583   2HB   TYR  74           HB3      TYR  74  -4.751  -2.927  -0.991
  584    HD1  TYR  74           HD1      TYR  74  -6.960  -2.153  -0.750
  585    HD2  TYR  74           HD2      TYR  74  -6.028  -6.149   0.363
  586    HE1  TYR  74           HE1      TYR  74  -9.180  -2.386   0.288
  587    HE2  TYR  74           HE2      TYR  74  -8.239  -6.388   1.396
  588    HH   TYR  74           HH       TYR  74  -9.996  -4.953   2.341
  589    H    VAL  75           H        VAL  75  -3.372  -4.246  -4.345
  590    HA   VAL  75           HA       VAL  75  -1.228  -5.980  -3.354
  591    HB   VAL  75           HB       VAL  75  -1.986  -6.568  -5.574
  592   1HG1  VAL  75          3HG1      VAL  75  -1.305  -3.734  -6.326
  593   2HG1  VAL  75          2HG1      VAL  75  -1.676  -5.018  -7.474
  594   3HG1  VAL  75          1HG1      VAL  75  -2.905  -4.479  -6.328
  595   1HG2  VAL  75          2HG2      VAL  75   0.376  -6.870  -5.079
  596   2HG2  VAL  75          1HG2      VAL  75   0.141  -6.463  -6.779
  597   3HG2  VAL  75          3HG2      VAL  75   0.718  -5.237  -5.652
  598    H    VAL  76           H        VAL  76   0.424  -5.092  -2.413
  599    HA   VAL  76           HA       VAL  76   1.093  -2.286  -3.021
  600    HB   VAL  76           HB       VAL  76   1.740  -3.812  -0.502
  601   1HG1  VAL  76          3HG1      VAL  76   3.209  -1.899  -1.052
  602   2HG1  VAL  76          2HG1      VAL  76   1.792  -0.851  -1.050
  603   3HG1  VAL  76          1HG1      VAL  76   2.287  -1.666   0.433
  604   1HG2  VAL  76          1HG2      VAL  76  -0.696  -3.556  -0.834
  605   2HG2  VAL  76          3HG2      VAL  76  -0.090  -2.664   0.561
  606   3HG2  VAL  76          2HG2      VAL  76  -0.471  -1.810  -0.933
  607    H    LEU  77           H        LEU  77   3.008  -1.858  -3.944
  608    HA   LEU  77           HA       LEU  77   5.134  -3.891  -3.784
  609   1HB   LEU  77           HB2      LEU  77   4.615  -1.766  -5.862
  610   2HB   LEU  77           HB3      LEU  77   6.071  -2.740  -5.813
  611    HG   LEU  77           HG       LEU  77   3.242  -3.714  -6.284
  612   1HD1  LEU  77          3HD1      LEU  77   4.256  -2.607  -8.203
  613   2HD1  LEU  77          2HD1      LEU  77   5.668  -3.656  -8.073
  614   3HD1  LEU  77          1HD1      LEU  77   4.095  -4.341  -8.484
  615   1HD2  LEU  77          1HD2      LEU  77   4.889  -5.205  -4.921
  616   2HD2  LEU  77          3HD2      LEU  77   3.961  -5.900  -6.250
  617   3HD2  LEU  77          2HD2      LEU  77   5.651  -5.462  -6.491
  618    H    VAL  78           H        VAL  78   6.084  -3.207  -1.889
  619    HA   VAL  78           HA       VAL  78   6.854  -0.390  -1.693
  620    HB   VAL  78           HB       VAL  78   7.662  -2.207   0.482
  621   1HG1  VAL  78          2HG1      VAL  78   7.813   0.317   0.463
  622   2HG1  VAL  78          1HG1      VAL  78   6.050   0.348   0.557
  623   3HG1  VAL  78          3HG1      VAL  78   6.995  -0.380   1.859
  624   1HG2  VAL  78          1HG2      VAL  78   4.783  -1.766  -0.264
  625   2HG2  VAL  78          3HG2      VAL  78   5.608  -3.293   0.049
  626   3HG2  VAL  78          2HG2      VAL  78   5.288  -2.173   1.373
  627    H    LYS  79           H        LYS  79   8.636   0.149  -2.684
  628    HA   LYS  79           HA       LYS  79  10.936  -1.680  -2.661
  629   1HB   LYS  79           HB2      LYS  79  10.001   0.448  -4.548
  630   2HB   LYS  79           HB3      LYS  79  11.708   0.034  -4.495
  631   1HG   LYS  79           HG2      LYS  79  11.143  -2.301  -4.989
  632   2HG   LYS  79           HG3      LYS  79   9.426  -1.858  -5.092
  633   1HD   LYS  79           HD2      LYS  79  11.621  -0.700  -6.819
  634   2HD   LYS  79           HD3      LYS  79  10.548  -2.015  -7.304
  635   1HE   LYS  79           HE2      LYS  79   8.615  -0.538  -7.016
  636   2HE   LYS  79           HE3      LYS  79   9.692   0.776  -6.542
  637   1HZ   LYS  79           HZ3      LYS  79  10.719   0.670  -8.729
  638   2HZ   LYS  79           HZ2      LYS  79   9.677  -0.582  -9.183
  639   3HZ   LYS  79           HZ1      LYS  79   9.057   0.958  -8.859
  640    HA   PRO  80           HA       PRO  80  12.226   1.270   0.611
  641   1HB   PRO  80           HB2      PRO  80  14.689  -0.128   0.770
  642   2HB   PRO  80           HB3      PRO  80  13.319  -0.239   1.874
  643   1HG   PRO  80           HG2      PRO  80  14.110  -2.032  -0.337
  644   2HG   PRO  80           HG3      PRO  80  13.196  -2.392   1.136
  645   1HD   PRO  80           HD2      PRO  80  12.021  -2.262  -1.289
  646   2HD   PRO  80           HD3      PRO  80  11.184  -1.771   0.199
  647    H    ARG  81           H        ARG  81  12.698   3.157  -0.336
  648    HA   ARG  81           HA       ARG  81  14.599   3.423  -2.459
  649   1HB   ARG  81           HB2      ARG  81  12.678   5.129  -1.079
  650   2HB   ARG  81           HB3      ARG  81  14.171   5.967  -1.480
  651   1HG   ARG  81           HG2      ARG  81  13.914   5.459  -3.800
  652   2HG   ARG  81           HG3      ARG  81  12.533   4.411  -3.464
  653   1HD   ARG  81           HD2      ARG  81  11.201   6.253  -2.776
  654   2HD   ARG  81           HD3      ARG  81  12.586   7.346  -2.804
  655    HE   ARG  81           HE       ARG  81  12.149   6.200  -5.361
  656   1HH1  ARG  81          1HH1      ARG  81  10.914   8.613  -3.173
  657   2HH1  ARG  81          2HH1      ARG  81  10.250   9.599  -4.431
  658   1HH2  ARG  81          1HH2      ARG  81  11.279   7.493  -7.024
  659   2HH2  ARG  81          2HH2      ARG  81  10.457   8.963  -6.621
  660    H    LYS  82           H        LYS  82  14.622   3.895   1.013
  661    HA   LYS  82           HA       LYS  82  17.457   4.681   0.852
  662   1HB   LYS  82           HB2      LYS  82  15.532   5.282   3.100
  663   2HB   LYS  82           HB3      LYS  82  17.185   5.860   2.949
  664   1HG   LYS  82           HG2      LYS  82  16.506   7.084   0.895
  665   2HG   LYS  82           HG3      LYS  82  14.839   6.599   1.217
  666   1HD   LYS  82           HD2      LYS  82  14.900   7.752   3.360
  667   2HD   LYS  82           HD3      LYS  82  16.581   8.208   3.079
  668   1HE   LYS  82           HE2      LYS  82  15.890   9.477   1.092
  669   2HE   LYS  82           HE3      LYS  82  14.210   9.047   1.415
  670   1HZ   LYS  82           HZ1      LYS  82  15.962  10.627   3.219
  671   2HZ   LYS  82           HZ3      LYS  82  14.736  11.256   2.237
  672   3HZ   LYS  82           HZ2      LYS  82  14.347  10.223   3.518
  673    H    ARG  83           H        ARG  83  18.656   4.116   2.951
  674    HA   ARG  83           HA       ARG  83  17.991   1.337   3.652
  675   1HB   ARG  83           HB2      ARG  83  20.680   2.707   3.782
  676   2HB   ARG  83           HB3      ARG  83  20.360   1.006   4.084
  677   1HG   ARG  83           HG2      ARG  83  19.825   0.614   1.802
  678   2HG   ARG  83           HG3      ARG  83  19.829   2.342   1.444
  679   1HD   ARG  83           HD2      ARG  83  21.874   1.242   0.661
  680   2HD   ARG  83           HD3      ARG  83  22.208   2.458   1.894
  681    HE   ARG  83           HE       ARG  83  21.925  -0.033   3.144
  682   1HH1  ARG  83          1HH1      ARG  83  24.096   1.631   0.986
  683   2HH1  ARG  83          2HH1      ARG  83  25.492   0.746   1.501
  684   1HH2  ARG  83          1HH2      ARG  83  23.759  -1.202   3.830
  685   2HH2  ARG  83          2HH2      ARG  83  25.300  -0.865   3.117
  686    H    GLY  84           H        GLY  84  18.101   0.660   5.789
  687   1HA   GLY  84           HA3      GLY  84  18.075   2.853   7.765
  688   2HA   GLY  84           HA2      GLY  84  18.945   1.359   8.081
  689    H    HIS  85           H        HIS  85  17.127   2.105   9.899
  690    HA   HIS  85           HA       HIS  85  15.307  -0.086   9.908
  691   1HB   HIS  85           HB2      HIS  85  15.444   2.319  11.742
  692   2HB   HIS  85           HB3      HIS  85  14.529   0.846  12.050
  693    HD1  HIS  85           HD1      HIS  85  18.022   2.191  11.999
  694    HD2  HIS  85           HD2      HIS  85  16.027  -1.327  12.953
  695    HE1  HIS  85           HE1      HIS  85  19.709   0.767  13.201
  696    HE2  HIS  85           HE2      HIS  85  18.505  -1.391  13.691
  697    H    HIS  86           H        HIS  86  13.651  -0.073   8.493
  698    HA   HIS  86           HA       HIS  86  11.891   2.280   8.545
  699   1HB   HIS  86           HB2      HIS  86  12.613   0.687   6.082
  700   2HB   HIS  86           HB3      HIS  86  11.443   2.000   6.146
  701    HD1  HIS  86           HD1      HIS  86  12.584   4.369   7.051
  702    HD2  HIS  86           HD2      HIS  86  15.083   1.518   5.351
  703    HE1  HIS  86           HE1      HIS  86  14.671   5.609   6.396
  704    HE2  HIS  86           HE2      HIS  86  16.194   3.851   5.427
  705    H    THR  87           H        THR  87   9.745   1.933   8.482
  706    HA   THR  87           HA       THR  87   8.767  -0.818   8.297
  707    HB   THR  87           HB       THR  87   8.130   1.086  10.558
  708    HG1  THR  87           HG1      THR  87  10.138  -0.373  10.468
  709   1HG2  THR  87          1HG2      THR  87   7.029  -1.659   9.959
  710   2HG2  THR  87          3HG2      THR  87   6.721  -0.727  11.425
  711   3HG2  THR  87          2HG2      THR  87   6.141  -0.138   9.867
  712    H    LEU  88           H        LEU  88   6.995  -0.947   7.036
  713    HA   LEU  88           HA       LEU  88   5.765   1.585   6.227
  714   1HB   LEU  88           HB2      LEU  88   6.522  -0.082   4.511
  715   2HB   LEU  88           HB3      LEU  88   5.245  -1.142   5.068
  716    HG   LEU  88           HG       LEU  88   3.649   0.804   4.546
  717   1HD1  LEU  88          2HD1      LEU  88   5.452   2.483   4.314
  718   2HD1  LEU  88          1HD1      LEU  88   5.994   1.651   2.857
  719   3HD1  LEU  88          3HD1      LEU  88   4.394   2.392   2.906
  720   1HD2  LEU  88          1HD2      LEU  88   5.089  -0.760   2.421
  721   2HD2  LEU  88          3HD2      LEU  88   3.580  -1.172   3.234
  722   3HD2  LEU  88          2HD2      LEU  88   3.637   0.190   2.115
  723    H    GLU  89           H        GLU  89   4.332   2.188   7.722
  724    HA   GLU  89           HA       GLU  89   2.571   0.350   9.028
  725   1HB   GLU  89           HB2      GLU  89   2.533   3.371   8.937
  726   2HB   GLU  89           HB3      GLU  89   1.599   2.368  10.040
  727   1HG   GLU  89           HG2      GLU  89   3.561   1.607  11.130
  728   2HG   GLU  89           HG3      GLU  89   4.601   2.344   9.915
  729    H    LEU  90           H        LEU  90   0.697  -0.381   8.322
  730    HA   LEU  90           HA       LEU  90  -0.702   1.117   6.204
  731   1HB   LEU  90           HB2      LEU  90  -0.804  -1.855   6.743
  732   2HB   LEU  90           HB3      LEU  90  -1.646  -1.011   5.458
  733    HG   LEU  90           HG       LEU  90   1.313  -1.498   5.720
  734   1HD1  LEU  90          2HD1      LEU  90  -0.023  -3.296   4.750
  735   2HD1  LEU  90          1HD1      LEU  90  -0.683  -2.169   3.565
  736   3HD1  LEU  90          3HD1      LEU  90   1.037  -2.559   3.546
  737   1HD2  LEU  90          1HD2      LEU  90   0.980   0.829   5.038
  738   2HD2  LEU  90          3HD2      LEU  90   1.637  -0.149   3.726
  739   3HD2  LEU  90          2HD2      LEU  90  -0.071   0.292   3.728
  740    H    VAL  91           H        VAL  91  -3.148   0.709   6.241
  741    HA   VAL  91           HA       VAL  91  -4.217   0.066   8.852
  742    HB   VAL  91           HB       VAL  91  -3.463   2.403   9.118
  743   1HG1  VAL  91          1HG1      VAL  91  -5.448   2.956   6.913
  744   2HG1  VAL  91          3HG1      VAL  91  -4.675   4.187   7.914
  745   3HG1  VAL  91          2HG1      VAL  91  -3.699   3.181   6.845
  746   1HG2  VAL  91          3HG2      VAL  91  -6.456   2.034   9.139
  747   2HG2  VAL  91          2HG2      VAL  91  -5.340   1.600  10.433
  748   3HG2  VAL  91          1HG2      VAL  91  -5.573   3.294  10.001
  749    H    TYR  92           H        TYR  92  -6.462  -0.059   8.957
  750    HA   TYR  92           HA       TYR  92  -7.803  -0.338   6.361
  751   1HB   TYR  92           HB2      TYR  92  -7.623  -2.236   8.162
  752   2HB   TYR  92           HB3      TYR  92  -8.906  -1.344   8.970
  753    HD1  TYR  92           HD1      TYR  92 -10.734  -2.787   8.790
  754    HD2  TYR  92           HD2      TYR  92  -8.455  -1.877   5.314
  755    HE1  TYR  92           HE1      TYR  92 -12.402  -3.941   7.402
  756    HE2  TYR  92           HE2      TYR  92 -10.121  -3.027   3.916
  757    HH   TYR  92           HH       TYR  92 -13.176  -3.938   5.068
  758    H    THR  93           H        THR  93  -8.282   1.873   6.085
  759    HA   THR  93           HA       THR  93 -10.135   3.049   8.061
  760    HB   THR  93           HB       THR  93  -8.152   4.366   7.982
  761    HG1  THR  93           HG1      THR  93  -9.241   6.195   6.482
  762   1HG2  THR  93          1HG2      THR  93  -8.478   4.383   4.980
  763   2HG2  THR  93          3HG2      THR  93  -7.258   5.280   5.884
  764   3HG2  THR  93          2HG2      THR  93  -7.237   3.517   5.886
  765    H    ARG  94           H        ARG  94 -11.643   4.700   7.135
  766    HA   ARG  94           HA       ARG  94 -12.785   3.680   4.628
  767   1HB   ARG  94           HB2      ARG  94 -14.045   5.377   6.788
  768   2HB   ARG  94           HB3      ARG  94 -14.864   4.791   5.347
  769   1HG   ARG  94           HG2      ARG  94 -14.466   2.476   6.102
  770   2HG   ARG  94           HG3      ARG  94 -13.747   3.116   7.581
  771   1HD   ARG  94           HD2      ARG  94 -16.070   2.488   7.952
  772   2HD   ARG  94           HD3      ARG  94 -15.852   4.229   8.129
  773    HE   ARG  94           HE       ARG  94 -16.608   3.732   5.493
  774   1HH1  ARG  94          1HH1      ARG  94 -17.939   3.450   8.701
  775   2HH1  ARG  94          2HH1      ARG  94 -19.575   3.679   8.180
  776   1HH2  ARG  94          1HH2      ARG  94 -18.758   4.034   4.800
  777   2HH2  ARG  94          2HH2      ARG  94 -20.041   4.010   5.964
  778    HA   PRO  95           HA       PRO  95 -10.760   7.480   2.971
  779   1HB   PRO  95           HB2      PRO  95 -12.156   6.234   0.632
  780   2HB   PRO  95           HB3      PRO  95 -10.556   6.980   0.716
  781   1HG   PRO  95           HG2      PRO  95 -10.793   4.333   0.708
  782   2HG   PRO  95           HG3      PRO  95  -9.606   5.127   1.759
  783   1HD   PRO  95           HD2      PRO  95 -12.209   3.865   2.459
  784   2HD   PRO  95           HD3      PRO  95 -10.712   3.974   3.402
  785    H    PHE  96           H        PHE  96 -14.055   6.303   2.637
  786    HA   PHE  96           HA       PHE  96 -15.145   8.714   1.620
  787   1HB   PHE  96           HB2      PHE  96 -16.423   6.330   2.963
  788   2HB   PHE  96           HB3      PHE  96 -17.299   7.614   2.157
  789    HD1  PHE  96           HD1      PHE  96 -17.630   7.593  -0.167
  790    HD2  PHE  96           HD2      PHE  96 -14.847   4.911   1.614
  791    HE1  PHE  96           HE1      PHE  96 -17.417   6.398  -2.308
  792    HE2  PHE  96           HE2      PHE  96 -14.626   3.712  -0.522
  793    HZ   PHE  96           HZ       PHE  96 -15.912   4.455  -2.488
  794    H    GLU  97           H        GLU  97 -14.757   7.329   4.840
  795    HA   GLU  97           HA       GLU  97 -16.002   9.727   6.002
  796   1HB   GLU  97           HB2      GLU  97 -15.403   7.059   7.294
  797   2HB   GLU  97           HB3      GLU  97 -16.199   8.418   8.075
  798   1HG   GLU  97           HG2      GLU  97 -17.250   6.889   5.704
  799   2HG   GLU  97           HG3      GLU  97 -17.795   6.719   7.372
  800    H    GLY  98           H        GLY  98 -13.538   7.477   7.229
  801   1HA   GLY  98           HA3      GLY  98 -12.126   9.548   8.584
  802   2HA   GLY  98           HA2      GLY  98 -11.292   9.095   7.103
  803    H    ILE  99           H        ILE  99  -9.883   8.748   9.257
  804    HA   ILE  99           HA       ILE  99  -9.783   5.841   9.517
  805    HB   ILE  99           HB       ILE  99  -7.686   7.736  10.513
  806   1HG1  ILE  99          2HG1      ILE  99  -7.720   6.596   7.722
  807   2HG1  ILE  99          3HG1      ILE  99  -8.364   8.196   8.079
  808   1HG2  ILE  99          2HG2      ILE  99  -7.844   4.844   9.759
  809   2HG2  ILE  99          1HG2      ILE  99  -6.294   5.690   9.709
  810   3HG2  ILE  99          3HG2      ILE  99  -7.194   5.587  11.222
  811   1HD1  ILE  99          2HD1      ILE  99  -5.533   7.281   8.563
  812   2HD1  ILE  99          1HD1      ILE  99  -6.081   8.305   7.238
  813   3HD1  ILE  99          3HD1      ILE  99  -6.174   8.890   8.899
  814    H    LYS 100           H        LYS 100  -9.698   4.792  11.491
  815    HA   LYS 100           HA       LYS 100 -10.261   6.413  13.884
  816   1HB   LYS 100           HB2      LYS 100 -11.566   3.753  13.646
  817   2HB   LYS 100           HB3      LYS 100 -12.125   5.207  14.456
  818   1HG   LYS 100           HG2      LYS 100 -12.629   6.206  12.259
  819   2HG   LYS 100           HG3      LYS 100 -12.165   4.684  11.493
  820   1HD   LYS 100           HD2      LYS 100 -14.149   3.775  11.929
  821   2HD   LYS 100           HD3      LYS 100 -14.057   4.242  13.628
  822   1HE   LYS 100           HE2      LYS 100 -14.835   6.488  13.047
  823   2HE   LYS 100           HE3      LYS 100 -14.946   6.011  11.352
  824   1HZ   LYS 100           HZ3      LYS 100 -16.500   4.821  13.588
  825   2HZ   LYS 100           HZ2      LYS 100 -17.099   5.911  12.442
  826   3HZ   LYS 100           HZ1      LYS 100 -16.607   4.366  11.962
  827    HA   PRO 101           HA       PRO 101  -7.299   3.993  16.059
  828   1HB   PRO 101           HB2      PRO 101  -9.216   3.410  18.224
  829   2HB   PRO 101           HB3      PRO 101  -7.718   4.343  18.271
  830   1HG   PRO 101           HG2      PRO 101 -10.099   5.552  18.435
  831   2HG   PRO 101           HG3      PRO 101  -8.754   6.291  17.548
  832   1HD   PRO 101           HD2      PRO 101 -11.104   4.752  16.493
  833   2HD   PRO 101           HD3      PRO 101 -10.404   6.271  15.897
  834    H    GLU 102           H        GLU 102 -10.517   2.506  16.292
  835    HA   GLU 102           HA       GLU 102  -9.670  -0.109  16.805
  836   1HB   GLU 102           HB2      GLU 102 -11.921  -0.778  16.019
  837   2HB   GLU 102           HB3      GLU 102 -11.953   0.538  17.187
  838   1HG   GLU 102           HG2      GLU 102 -12.211   2.138  15.383
  839   2HG   GLU 102           HG3      GLU 102 -12.171   0.828  14.209
  840    H    ASN 103           H        ASN 103  -9.429   1.726  13.974
  841    HA   ASN 103           HA       ASN 103  -9.746  -0.176  11.957
  842   1HB   ASN 103           HB2      ASN 103  -7.980   2.264  12.128
  843   2HB   ASN 103           HB3      ASN 103  -8.152   1.307  10.661
  844   1HD2  ASN 103          1HD2      ASN 103 -10.860   1.644  12.778
  845   2HD2  ASN 103          2HD2      ASN 103 -11.759   2.741  11.793
  846    H    GLU 104           H        GLU 104  -8.435  -1.674  11.028
  847    HA   GLU 104           HA       GLU 104  -6.423  -2.868  12.585
  848   1HB   GLU 104           HB2      GLU 104  -7.972  -3.608  10.436
  849   2HB   GLU 104           HB3      GLU 104  -6.365  -3.508   9.729
  850   1HG   GLU 104           HG2      GLU 104  -5.504  -5.061  11.324
  851   2HG   GLU 104           HG3      GLU 104  -7.031  -5.083  12.202
  852    H    ARG 105           H        ARG 105  -4.243  -3.463  11.449
  853    HA   ARG 105           HA       ARG 105  -3.047  -1.302   9.941
  854   1HB   ARG 105           HB2      ARG 105  -2.753  -0.283  12.043
  855   2HB   ARG 105           HB3      ARG 105  -2.404  -1.812  12.838
  856   1HG   ARG 105           HG2      ARG 105  -0.237  -1.422  12.628
  857   2HG   ARG 105           HG3      ARG 105  -0.404  -1.390  10.875
  858   1HD   ARG 105           HD2      ARG 105   0.515   0.689  11.366
  859   2HD   ARG 105           HD3      ARG 105  -1.209   1.031  11.200
  860    HE   ARG 105           HE       ARG 105  -0.250   0.481  13.889
  861   1HH1  ARG 105          1HH1      ARG 105  -1.117   2.863  11.497
  862   2HH1  ARG 105          2HH1      ARG 105  -1.340   4.132  12.654
  863   1HH2  ARG 105          1HH2      ARG 105  -0.543   2.148  15.419
  864   2HH2  ARG 105          2HH2      ARG 105  -1.013   3.726  14.883
  865    H    TYR 106           H        TYR 106  -0.866  -1.798   9.238
  866    HA   TYR 106           HA       TYR 106   0.193  -4.417   9.794
  867   1HB   TYR 106           HB2      TYR 106  -1.291  -5.058   8.078
  868   2HB   TYR 106           HB3      TYR 106  -0.803  -3.716   7.041
  869    HD1  TYR 106           HD1      TYR 106  -0.199  -7.099   8.056
  870    HD2  TYR 106           HD2      TYR 106   1.550  -3.772   6.069
  871    HE1  TYR 106           HE1      TYR 106   1.450  -8.590   7.026
  872    HE2  TYR 106           HE2      TYR 106   3.214  -5.255   5.036
  873    HH   TYR 106           HH       TYR 106   2.924  -8.642   5.064
  874    H    THR 107           H        THR 107   2.156  -3.908  10.334
  875    HA   THR 107           HA       THR 107   3.582  -1.786   8.942
  876    HB   THR 107           HB       THR 107   5.241  -2.477  10.897
  877    HG1  THR 107           HG1      THR 107   4.348  -3.680  12.383
  878   1HG2  THR 107          1HG2      THR 107   4.216  -0.267  10.612
  879   2HG2  THR 107          3HG2      THR 107   2.723  -0.871  11.328
  880   3HG2  THR 107          2HG2      THR 107   4.188  -0.766  12.303
  881    H    LEU 108           H        LEU 108   5.257  -2.194   7.581
  882    HA   LEU 108           HA       LEU 108   5.987  -4.976   7.147
  883   1HB   LEU 108           HB2      LEU 108   6.321  -2.467   5.594
  884   2HB   LEU 108           HB3      LEU 108   7.452  -3.770   5.309
  885    HG   LEU 108           HG       LEU 108   4.464  -4.015   5.055
  886   1HD1  LEU 108          1HD1      LEU 108   5.480  -2.542   3.358
  887   2HD1  LEU 108          3HD1      LEU 108   6.565  -3.855   2.906
  888   3HD1  LEU 108          2HD1      LEU 108   4.826  -4.030   2.675
  889   1HD2  LEU 108          2HD2      LEU 108   5.640  -6.097   5.680
  890   2HD2  LEU 108          1HD2      LEU 108   4.938  -6.172   4.065
  891   3HD2  LEU 108          3HD2      LEU 108   6.670  -5.912   4.260
  892    H    HIS 109           H        HIS 109   7.694  -5.889   7.849
  893    HA   HIS 109           HA       HIS 109   9.570  -4.664   9.584
  894   1HB   HIS 109           HB2      HIS 109  10.634  -7.009   9.347
  895   2HB   HIS 109           HB3      HIS 109   9.018  -6.917  10.021
  896    HD1  HIS 109           HD1      HIS 109  10.177  -7.012   6.397
  897    HD2  HIS 109           HD2      HIS 109   7.753  -9.100   9.048
  898    HE1  HIS 109           HE1      HIS 109   9.098  -8.829   5.033
  899    HE2  HIS 109           HE2      HIS 109   7.571 -10.025   6.639
  900    H    LEU 110           H        LEU 110  10.120  -3.057   7.511
  901    HA   LEU 110           HA       LEU 110  12.268  -4.338   5.966
  902   1HB   LEU 110           HB2      LEU 110  10.858  -1.737   5.401
  903   2HB   LEU 110           HB3      LEU 110  12.054  -2.510   4.380
  904    HG   LEU 110           HG       LEU 110   9.375  -3.728   5.057
  905   1HD1  LEU 110          3HD1      LEU 110  10.241  -2.234   2.587
  906   2HD1  LEU 110          2HD1      LEU 110   8.722  -3.110   2.778
  907   3HD1  LEU 110          1HD1      LEU 110   9.055  -1.692   3.773
  908   1HD2  LEU 110          2HD2      LEU 110  11.101  -5.351   4.480
  909   2HD2  LEU 110          1HD2      LEU 110   9.882  -5.241   3.211
  910   3HD2  LEU 110          3HD2      LEU 110  11.450  -4.462   2.998
  911    H    ASN 111           H        ASN 111  13.766  -4.159   7.750
  912    HA   ASN 111           HA       ASN 111  14.708  -1.453   8.334
  913   1HB   ASN 111           HB2      ASN 111  14.548  -2.833  10.295
  914   2HB   ASN 111           HB3      ASN 111  15.416  -4.149   9.515
  915   1HD2  ASN 111          1HD2      ASN 111  16.942  -4.227  11.155
  916   2HD2  ASN 111          2HD2      ASN 111  18.168  -3.023  11.327
  917    H    VAL 112           H        VAL 112  15.063  -1.668   5.888
  918    HA   VAL 112           HA       VAL 112  16.828  -3.041   4.474
  919    HB   VAL 112           HB       VAL 112  17.149  -0.065   4.352
  920   1HG1  VAL 112          3HG1      VAL 112  18.334  -1.501   2.752
  921   2HG1  VAL 112          2HG1      VAL 112  16.788  -2.170   2.229
  922   3HG1  VAL 112          1HG1      VAL 112  17.147  -0.465   1.959
  923   1HG2  VAL 112          3HG2      VAL 112  14.663  -1.591   3.586
  924   2HG2  VAL 112          2HG2      VAL 112  14.796  -0.295   4.775
  925   3HG2  VAL 112          1HG2      VAL 112  15.026   0.054   3.063
  926    H    LYS 113           H        LYS 113  18.938  -3.541   4.447
  927    HA   LYS 113           HA       LYS 113  20.630  -2.557   6.566
  928   1HB   LYS 113           HB2      LYS 113  21.236  -4.531   4.361
  929   2HB   LYS 113           HB3      LYS 113  22.200  -4.250   5.799
  930   1HG   LYS 113           HG2      LYS 113  19.405  -5.362   5.740
  931   2HG   LYS 113           HG3      LYS 113  20.887  -6.281   6.006
  932   1HD   LYS 113           HD2      LYS 113  19.898  -4.051   7.780
  933   2HD   LYS 113           HD3      LYS 113  19.678  -5.772   8.102
  934   1HE   LYS 113           HE2      LYS 113  22.315  -4.329   7.861
  935   2HE   LYS 113           HE3      LYS 113  21.566  -4.882   9.358
  936   1HZ   LYS 113           HZ1      LYS 113  22.459  -6.629   7.128
  937   2HZ   LYS 113           HZ3      LYS 113  23.267  -6.417   8.600
  938   3HZ   LYS 113           HZ2      LYS 113  21.747  -7.157   8.568

  No H/Q in entry =         938
  Start of MODEL   24
    1    H1   GLY  -2           HT1      GLY  -2 -10.956 -28.976  19.985
    2    H2   GLY  -2           HT3      GLY  -2 -10.432 -27.496  20.615
    3    H3   GLY  -2           HT2      GLY  -2 -11.033 -28.691  21.650
    4   1HA   GLY  -2           HA2      GLY  -2 -12.679 -26.962  21.322
    5   2HA   GLY  -2           HA3      GLY  -2 -13.224 -28.501  20.673
    6    H    SER  -1           H        SER  -1 -10.886 -26.261  19.249
    7    HA   SER  -1           HA       SER  -1 -12.542 -26.167  16.841
    8   1HB   SER  -1           HB2      SER  -1 -12.249 -23.722  16.651
    9   2HB   SER  -1           HB3      SER  -1 -13.156 -24.157  18.099
   10    HG   SER  -1           HG       SER  -1 -11.707 -22.893  18.989
   11    H    HIS   0           H        HIS   0  -9.539 -26.353  18.361
   12    HA   HIS   0           HA       HIS   0  -7.410 -26.604  17.620
   13   1HB   HIS   0           HB2      HIS   0  -8.424 -28.238  16.085
   14   2HB   HIS   0           HB3      HIS   0  -8.722 -26.954  14.917
   15    HD1  HIS   0           HD1      HIS   0  -6.853 -26.372  13.347
   16    HD2  HIS   0           HD2      HIS   0  -5.621 -28.835  16.458
   17    HE1  HIS   0           HE1      HIS   0  -4.501 -27.054  12.773
   18    HE2  HIS   0           HE2      HIS   0  -3.742 -28.458  14.722
   19    H    MET   1           H        MET   1  -8.543 -25.161  14.599
   20    HA   MET   1           HA       MET   1  -6.472 -23.225  14.599
   21   1HB   MET   1           HB2      MET   1  -7.700 -22.269  12.642
   22   2HB   MET   1           HB3      MET   1  -7.331 -23.978  12.496
   23   1HG   MET   1           HG2      MET   1  -9.630 -24.517  13.168
   24   2HG   MET   1           HG3      MET   1  -9.989 -22.793  13.256
   25   1HE   MET   1           HE2      MET   1  -8.343 -21.666  10.779
   26   2HE   MET   1           HE1      MET   1  -9.572 -21.697   9.515
   27   3HE   MET   1           HE3      MET   1  -9.996 -21.172  11.144
   28    H    ILE   2           H        ILE   2  -6.554 -21.004  14.877
   29    HA   ILE   2           HA       ILE   2  -8.550 -20.096  16.771
   30    HB   ILE   2           HB       ILE   2  -7.192 -18.038  16.892
   31   1HG1  ILE   2          2HG1      ILE   2  -5.359 -19.441  14.934
   32   2HG1  ILE   2          3HG1      ILE   2  -6.409 -18.088  14.527
   33   1HG2  ILE   2          2HG2      ILE   2  -6.693 -19.916  18.361
   34   2HG2  ILE   2          1HG2      ILE   2  -5.604 -20.588  17.150
   35   3HG2  ILE   2          3HG2      ILE   2  -5.219 -19.052  17.925
   36   1HD1  ILE   2          1HD1      ILE   2  -5.189 -16.677  16.107
   37   2HD1  ILE   2          3HD1      ILE   2  -4.128 -18.033  16.487
   38   3HD1  ILE   2          2HD1      ILE   2  -4.133 -17.345  14.863
   39    H    ALA   3           H        ALA   3  -8.547 -20.380  13.550
   40    HA   ALA   3           HA       ALA   3  -9.784 -19.489  11.864
   41   1HB   ALA   3           HB2      ALA   3 -11.600 -19.515  13.516
   42   2HB   ALA   3           HB1      ALA   3 -11.136 -17.897  14.039
   43   3HB   ALA   3           HB3      ALA   3 -11.740 -18.155  12.403
   44    HA   PRO   4           HA       PRO   4  -7.634 -15.790  10.754
   45   1HB   PRO   4           HB2      PRO   4  -8.981 -15.054   8.540
   46   2HB   PRO   4           HB3      PRO   4  -7.955 -16.492   8.580
   47   1HG   PRO   4           HG2      PRO   4 -10.932 -16.277   8.827
   48   2HG   PRO   4           HG3      PRO   4  -9.968 -17.443   7.901
   49   1HD   PRO   4           HD2      PRO   4 -11.059 -17.998  10.340
   50   2HD   PRO   4           HD3      PRO   4  -9.576 -18.763   9.737
   51    H    LEU   5           H        LEU   5 -10.800 -15.767  11.893
   52    HA   LEU   5           HA       LEU   5 -11.445 -13.021  11.446
   53   1HB   LEU   5           HB2      LEU   5 -13.167 -14.719  11.846
   54   2HB   LEU   5           HB3      LEU   5 -12.544 -14.982  13.462
   55    HG   LEU   5           HG       LEU   5 -13.179 -12.693  14.087
   56   1HD1  LEU   5          3HD1      LEU   5 -14.282 -12.542  11.285
   57   2HD1  LEU   5          2HD1      LEU   5 -14.572 -11.359  12.561
   58   3HD1  LEU   5          1HD1      LEU   5 -12.940 -11.601  11.939
   59   1HD2  LEU   5          1HD2      LEU   5 -14.763 -14.506  14.450
   60   2HD2  LEU   5          3HD2      LEU   5 -15.601 -13.007  14.048
   61   3HD2  LEU   5          2HD2      LEU   5 -15.420 -14.270  12.830
   62    H    SER   6           H        SER   6 -10.779 -14.714  14.519
   63    HA   SER   6           HA       SER   6 -10.025 -12.220  15.770
   64   1HB   SER   6           HB2      SER   6  -9.730 -13.591  17.803
   65   2HB   SER   6           HB3      SER   6 -11.300 -13.877  17.050
   66    HG   SER   6           HG       SER   6 -10.501 -15.868  17.471
   67    H    VAL   7           H        VAL   7  -8.013 -11.518  16.217
   68    HA   VAL   7           HA       VAL   7  -5.744 -11.349  16.219
   69    HB   VAL   7           HB       VAL   7  -5.730 -14.371  16.151
   70   1HG1  VAL   7          1HG1      VAL   7  -3.619 -12.391  16.998
   71   2HG1  VAL   7          3HG1      VAL   7  -3.500 -14.143  17.150
   72   3HG1  VAL   7          2HG1      VAL   7  -3.583 -13.400  15.553
   73   1HG2  VAL   7          3HG2      VAL   7  -7.028 -13.553  18.040
   74   2HG2  VAL   7          2HG2      VAL   7  -5.500 -14.242  18.587
   75   3HG2  VAL   7          1HG2      VAL   7  -5.700 -12.492  18.510
   76    H    LYS   8           H        LYS   8  -4.065 -11.173  14.737
   77    HA   LYS   8           HA       LYS   8  -3.878 -12.708  12.369
   78   1HB   LYS   8           HB2      LYS   8  -5.898 -11.399  11.793
   79   2HB   LYS   8           HB3      LYS   8  -4.988  -9.917  12.033
   80   1HG   LYS   8           HG2      LYS   8  -5.142 -10.390   9.686
   81   2HG   LYS   8           HG3      LYS   8  -3.469 -10.586  10.213
   82   1HD   LYS   8           HD2      LYS   8  -4.015 -12.401   8.744
   83   2HD   LYS   8           HD3      LYS   8  -3.874 -13.036  10.384
   84   1HE   LYS   8           HE2      LYS   8  -5.802 -13.993   9.254
   85   2HE   LYS   8           HE3      LYS   8  -6.309 -12.988  10.613
   86   1HZ   LYS   8           HZ3      LYS   8  -6.316 -12.164   7.759
   87   2HZ   LYS   8           HZ2      LYS   8  -7.678 -12.600   8.661
   88   3HZ   LYS   8           HZ1      LYS   8  -6.809 -11.205   9.064
   89    H    ASP   9           H        ASP   9  -1.875 -12.534  11.602
   90    HA   ASP   9           HA       ASP   9   0.029 -10.909  12.907
   91   1HB   ASP   9           HB2      ASP   9   0.305 -12.426  10.304
   92   2HB   ASP   9           HB3      ASP   9   1.617 -11.856  11.322
   93    H    ASN  10           H        ASN  10   0.501  -8.836  12.533
   94    HA   ASN  10           HA       ASN  10  -0.123  -7.730   9.889
   95   1HB   ASN  10           HB2      ASN  10  -0.342  -5.536  11.306
   96   2HB   ASN  10           HB3      ASN  10  -1.692  -6.648  11.173
   97   1HD2  ASN  10          1HD2      ASN  10  -0.708  -4.645  13.201
   98   2HD2  ASN  10          2HD2      ASN  10  -0.766  -5.511  14.689
   99    H    ASP  11           H        ASP  11   1.298  -5.896  12.430
  100    HA   ASP  11           HA       ASP  11   3.338  -4.833  10.935
  101   1HB   ASP  11           HB2      ASP  11   4.385  -4.430  13.300
  102   2HB   ASP  11           HB3      ASP  11   2.885  -3.627  12.847
  103    H    LYS  12           H        LYS  12   4.645  -6.150   9.838
  104    HA   LYS  12           HA       LYS  12   5.995  -8.349  11.168
  105   1HB   LYS  12           HB2      LYS  12   5.139  -7.964   8.581
  106   2HB   LYS  12           HB3      LYS  12   6.870  -7.685   8.454
  107   1HG   LYS  12           HG2      LYS  12   7.260  -9.865   9.553
  108   2HG   LYS  12           HG3      LYS  12   5.518 -10.140   9.534
  109   1HD   LYS  12           HD2      LYS  12   6.412 -11.278   7.649
  110   2HD   LYS  12           HD3      LYS  12   5.605  -9.832   7.036
  111   1HE   LYS  12           HE2      LYS  12   7.766  -8.686   6.916
  112   2HE   LYS  12           HE3      LYS  12   8.568 -10.135   7.518
  113   1HZ   LYS  12           HZ3      LYS  12   7.798 -11.323   5.552
  114   2HZ   LYS  12           HZ2      LYS  12   7.057  -9.918   4.970
  115   3HZ   LYS  12           HZ1      LYS  12   8.740  -9.984   5.123
  116    H    TRP  13           H        TRP  13   7.366  -7.357  12.618
  117    HA   TRP  13           HA       TRP  13   9.136  -5.248  11.901
  118   1HB   TRP  13           HB2      TRP  13   9.532  -7.038  14.276
  119   2HB   TRP  13           HB3      TRP  13   9.833  -5.313  14.118
  120    HD1  TRP  13           HD1      TRP  13   6.937  -7.789  14.600
  121    HE1  TRP  13           HE1      TRP  13   4.911  -6.520  15.550
  122    HE3  TRP  13           HE3      TRP  13   8.793  -3.028  14.407
  123    HZ2  TRP  13           HZ2      TRP  13   4.179  -3.850  16.132
  124    HZ3  TRP  13           HZ3      TRP  13   7.373  -1.178  15.189
  125    HH2  TRP  13           HH2      TRP  13   5.121  -1.582  16.038
  126    H    VAL  14           H        VAL  14  10.554  -5.717  10.278
  127    HA   VAL  14           HA       VAL  14  12.589  -7.728  10.888
  128    HB   VAL  14           HB       VAL  14  12.461  -8.748   8.630
  129   1HG1  VAL  14          3HG1      VAL  14  11.483  -9.893  10.545
  130   2HG1  VAL  14          2HG1      VAL  14   9.959  -9.044  10.287
  131   3HG1  VAL  14          1HG1      VAL  14  10.542 -10.194   9.084
  132   1HG2  VAL  14          2HG2      VAL  14   9.877  -7.207   8.446
  133   2HG2  VAL  14          1HG2      VAL  14  11.309  -7.000   7.436
  134   3HG2  VAL  14          3HG2      VAL  14  10.369  -8.490   7.340
  135    H    ASP  15           H        ASP  15  14.009  -7.829   8.650
  136    HA   ASP  15           HA       ASP  15  14.778  -5.032   8.154
  137   1HB   ASP  15           HB2      ASP  15  17.040  -5.756   7.954
  138   2HB   ASP  15           HB3      ASP  15  16.390  -6.533   9.397
  139    H    THR  16           H        THR  16  16.350  -5.178   5.987
  140    HA   THR  16           HA       THR  16  15.450  -6.873   3.912
  141    HB   THR  16           HB       THR  16  13.418  -5.348   4.356
  142    HG1  THR  16           HG1      THR  16  13.051  -5.255   2.047
  143   1HG2  THR  16          1HG2      THR  16  14.707  -3.243   4.461
  144   2HG2  THR  16          3HG2      THR  16  15.109  -3.434   2.755
  145   3HG2  THR  16          2HG2      THR  16  13.432  -3.201   3.242
  146    H    HIS  17           H        HIS  17  15.858  -5.637   1.661
  147    HA   HIS  17           HA       HIS  17  18.500  -4.359   1.911
  148   1HB   HIS  17           HB2      HIS  17  17.379  -5.996  -0.377
  149   2HB   HIS  17           HB3      HIS  17  18.969  -5.249  -0.345
  150    HD1  HIS  17           HD1      HIS  17  17.002  -8.026   1.267
  151    HD2  HIS  17           HD2      HIS  17  20.920  -6.672   0.993
  152    HE1  HIS  17           HE1      HIS  17  18.414  -9.843   2.281
  153    HE2  HIS  17           HE2      HIS  17  20.771  -8.961   2.186
  154    H    VAL  18           H        VAL  18  18.608  -3.543  -0.847
  155    HA   VAL  18           HA       VAL  18  16.801  -1.246  -0.653
  156    HB   VAL  18           HB       VAL  18  19.163  -1.616  -2.500
  157   1HG1  VAL  18          2HG1      VAL  18  17.531   0.823  -1.795
  158   2HG1  VAL  18          1HG1      VAL  18  18.992   0.825  -2.782
  159   3HG1  VAL  18          3HG1      VAL  18  17.547  -0.016  -3.347
  160   1HG2  VAL  18          2HG2      VAL  18  19.874  -1.618  -0.168
  161   2HG2  VAL  18          1HG2      VAL  18  20.365  -0.128  -0.972
  162   3HG2  VAL  18          3HG2      VAL  18  18.978  -0.126   0.117
  163    H    GLY  19           H        GLY  19  15.133  -0.964  -1.928
  164   1HA   GLY  19           HA3      GLY  19  15.024  -1.792  -4.655
  165   2HA   GLY  19           HA2      GLY  19  13.717  -1.095  -3.721
  166    H    LYS  20           H        LYS  20  14.556  -3.594  -1.845
  167    HA   LYS  20           HA       LYS  20  13.717  -5.885  -3.181
  168   1HB   LYS  20           HB2      LYS  20  14.541  -5.328  -0.641
  169   2HB   LYS  20           HB3      LYS  20  12.846  -5.684  -0.374
  170   1HG   LYS  20           HG2      LYS  20  13.619  -7.784  -0.186
  171   2HG   LYS  20           HG3      LYS  20  13.482  -7.749  -1.949
  172   1HD   LYS  20           HD2      LYS  20  15.797  -7.200  -2.182
  173   2HD   LYS  20           HD3      LYS  20  15.952  -6.968  -0.442
  174   1HE   LYS  20           HE2      LYS  20  15.572  -9.324  -0.052
  175   2HE   LYS  20           HE3      LYS  20  15.260  -9.587  -1.768
  176   1HZ   LYS  20           HZ1      LYS  20  17.844  -8.695  -0.608
  177   2HZ   LYS  20           HZ3      LYS  20  17.499 -10.260  -1.150
  178   3HZ   LYS  20           HZ2      LYS  20  17.541  -8.974  -2.248
  179    H    THR  21           H        THR  21  12.005  -5.285  -4.540
  180    HA   THR  21           HA       THR  21   9.646  -4.022  -3.760
  181    HB   THR  21           HB       THR  21   9.700  -6.127  -5.908
  182    HG1  THR  21           HG1      THR  21  10.733  -4.704  -7.239
  183   1HG2  THR  21          2HG2      THR  21   7.565  -4.994  -5.339
  184   2HG2  THR  21          1HG2      THR  21   8.315  -3.448  -5.734
  185   3HG2  THR  21          3HG2      THR  21   8.101  -4.670  -6.989
  186    H    THR  22           H        THR  22   8.820  -4.804  -1.854
  187    HA   THR  22           HA       THR  22   8.178  -7.619  -1.601
  188    HB   THR  22           HB       THR  22   7.644  -5.299   0.269
  189    HG1  THR  22           HG1      THR  22   9.686  -7.243   0.061
  190   1HG2  THR  22          2HG2      THR  22   7.303  -8.269   0.717
  191   2HG2  THR  22          1HG2      THR  22   7.150  -7.020   1.955
  192   3HG2  THR  22          3HG2      THR  22   6.007  -7.077   0.613
  193    H    GLU  23           H        GLU  23   6.596  -8.176  -2.950
  194    HA   GLU  23           HA       GLU  23   4.246  -6.571  -3.328
  195   1HB   GLU  23           HB2      GLU  23   5.250  -7.876  -5.157
  196   2HB   GLU  23           HB3      GLU  23   4.936  -9.358  -4.265
  197   1HG   GLU  23           HG2      GLU  23   2.578  -9.059  -4.457
  198   2HG   GLU  23           HG3      GLU  23   2.800  -7.445  -5.130
  199    H    ILE  24           H        ILE  24   2.390  -6.747  -2.264
  200    HA   ILE  24           HA       ILE  24   1.889  -9.181  -0.705
  201    HB   ILE  24           HB       ILE  24   1.420  -6.387   0.302
  202   1HG1  ILE  24          2HG1      ILE  24   3.506  -8.427   1.086
  203   2HG1  ILE  24          3HG1      ILE  24   3.809  -6.922   0.229
  204   1HG2  ILE  24          3HG2      ILE  24  -0.206  -8.041   1.099
  205   2HG2  ILE  24          2HG2      ILE  24   1.118  -9.050   1.682
  206   3HG2  ILE  24          1HG2      ILE  24   0.834  -7.466   2.404
  207   1HD1  ILE  24          3HD1      ILE  24   2.775  -7.166   3.041
  208   2HD1  ILE  24          2HD1      ILE  24   4.418  -6.740   2.564
  209   3HD1  ILE  24          1HD1      ILE  24   3.080  -5.659   2.179
  210    H    HIS  25           H        HIS  25   0.193 -10.024  -1.711
  211    HA   HIS  25           HA       HIS  25  -1.973  -8.352  -2.672
  212   1HB   HIS  25           HB2      HIS  25  -2.010 -11.354  -2.634
  213   2HB   HIS  25           HB3      HIS  25  -2.791 -10.257  -3.759
  214    HD1  HIS  25           HD1      HIS  25  -0.108 -12.537  -3.659
  215    HD2  HIS  25           HD2      HIS  25  -0.623  -8.754  -5.297
  216    HE1  HIS  25           HE1      HIS  25   1.658 -12.329  -5.435
  217    HE2  HIS  25           HE2      HIS  25   1.237 -10.086  -6.502
  218    H    LEU  26           H        LEU  26  -3.050  -7.552  -0.932
  219    HA   LEU  26           HA       LEU  26  -3.796  -9.327   1.258
  220   1HB   LEU  26           HB2      LEU  26  -4.314  -6.383   0.891
  221   2HB   LEU  26           HB3      LEU  26  -4.614  -7.300   2.351
  222    HG   LEU  26           HG       LEU  26  -1.851  -7.036   1.185
  223   1HD1  LEU  26          2HD1      LEU  26  -3.177  -5.231   3.204
  224   2HD1  LEU  26          1HD1      LEU  26  -1.470  -5.205   2.762
  225   3HD1  LEU  26          3HD1      LEU  26  -2.696  -4.786   1.568
  226   1HD2  LEU  26          2HD2      LEU  26  -2.338  -8.818   2.866
  227   2HD2  LEU  26          1HD2      LEU  26  -1.122  -7.647   3.379
  228   3HD2  LEU  26          3HD2      LEU  26  -2.765  -7.545   4.011
  229    H    LYS  27           H        LYS  27  -5.946  -9.703   1.859
  230    HA   LYS  27           HA       LYS  27  -7.846  -9.359  -0.350
  231   1HB   LYS  27           HB2      LYS  27  -8.243 -11.177   2.010
  232   2HB   LYS  27           HB3      LYS  27  -9.021 -11.245   0.438
  233   1HG   LYS  27           HG2      LYS  27  -6.804 -11.806  -0.559
  234   2HG   LYS  27           HG3      LYS  27  -6.164 -11.926   1.082
  235   1HD   LYS  27           HD2      LYS  27  -7.795 -13.677   1.594
  236   2HD   LYS  27           HD3      LYS  27  -8.433 -13.561  -0.047
  237   1HE   LYS  27           HE2      LYS  27  -5.624 -14.354   0.711
  238   2HE   LYS  27           HE3      LYS  27  -6.900 -15.448   0.177
  239   1HZ   LYS  27           HZ1      LYS  27  -5.723 -13.248  -1.435
  240   2HZ   LYS  27           HZ3      LYS  27  -5.394 -14.896  -1.627
  241   3HZ   LYS  27           HZ2      LYS  27  -6.943 -14.300  -1.949
  242    H    GLY  28           H        GLY  28 -10.113  -8.960   0.241
  243   1HA   GLY  28           HA3      GLY  28 -10.319  -6.624   1.814
  244   2HA   GLY  28           HA2      GLY  28 -10.938  -7.991   2.721
  245    H    ASN  29           H        ASN  29 -12.263  -5.576   1.584
  246    HA   ASN  29           HA       ASN  29 -13.851  -6.258  -0.627
  247   1HB   ASN  29           HB2      ASN  29 -16.024  -6.578   0.742
  248   2HB   ASN  29           HB3      ASN  29 -14.939  -7.955   0.559
  249   1HD2  ASN  29          1HD2      ASN  29 -16.191  -5.558   2.735
  250   2HD2  ASN  29          2HD2      ASN  29 -15.626  -6.294   4.192
  251    HA   PRO  30           HA       PRO  30 -13.971  -1.810   0.510
  252   1HB   PRO  30           HB2      PRO  30 -14.552  -1.032  -2.070
  253   2HB   PRO  30           HB3      PRO  30 -12.919  -1.216  -1.424
  254   1HG   PRO  30           HG2      PRO  30 -14.526  -3.110  -3.088
  255   2HG   PRO  30           HG3      PRO  30 -12.800  -2.716  -3.189
  256   1HD   PRO  30           HD2      PRO  30 -13.658  -4.982  -2.039
  257   2HD   PRO  30           HD3      PRO  30 -12.252  -4.099  -1.412
  258    H    THR  31           H        THR  31 -16.252  -4.027  -0.670
  259    HA   THR  31           HA       THR  31 -18.453  -2.389  -1.236
  260    HB   THR  31           HB       THR  31 -19.847  -4.370  -0.760
  261    HG1  THR  31           HG1      THR  31 -18.898  -5.409   0.912
  262   1HG2  THR  31          2HG2      THR  31 -18.743  -4.173  -2.934
  263   2HG2  THR  31          1HG2      THR  31 -17.320  -4.994  -2.294
  264   3HG2  THR  31          3HG2      THR  31 -18.851  -5.860  -2.433
  265    H    THR  32           H        THR  32 -16.962  -3.228   1.758
  266    HA   THR  32           HA       THR  32 -19.267  -2.596   3.380
  267    HB   THR  32           HB       THR  32 -17.609  -2.758   5.287
  268    HG1  THR  32           HG1      THR  32 -15.561  -2.923   4.802
  269   1HG2  THR  32          1HG2      THR  32 -17.859  -5.113   3.413
  270   2HG2  THR  32          3HG2      THR  32 -17.405  -5.208   5.114
  271   3HG2  THR  32          2HG2      THR  32 -19.013  -4.643   4.661
  272    H    GLY  33           H        GLY  33 -15.977  -1.190   3.218
  273   1HA   GLY  33           HA3      GLY  33 -16.904   1.256   4.425
  274   2HA   GLY  33           HA2      GLY  33 -16.576   1.414   2.707
  275    H    TYR  34           H        TYR  34 -14.692  -0.789   4.637
  276    HA   TYR  34           HA       TYR  34 -12.609   1.127   5.170
  277   1HB   TYR  34           HB2      TYR  34 -12.746  -1.862   5.563
  278   2HB   TYR  34           HB3      TYR  34 -11.352  -0.884   6.008
  279    HD1  TYR  34           HD1      TYR  34 -14.900  -1.556   6.742
  280    HD2  TYR  34           HD2      TYR  34 -11.353   0.440   8.015
  281    HE1  TYR  34           HE1      TYR  34 -15.942  -1.104   8.922
  282    HE2  TYR  34           HE2      TYR  34 -12.395   0.891  10.196
  283    HH   TYR  34           HH       TYR  34 -14.654   1.089  11.157
  284    H    MET  35           H        MET  35 -10.279   0.221   4.658
  285    HA   MET  35           HA       MET  35  -9.978  -0.890   2.022
  286   1HB   MET  35           HB2      MET  35 -10.137   1.224   1.139
  287   2HB   MET  35           HB3      MET  35  -9.677   1.996   2.651
  288   1HG   MET  35           HG2      MET  35  -7.344   1.261   2.255
  289   2HG   MET  35           HG3      MET  35  -7.855   0.657   0.696
  290   1HE   MET  35           HE2      MET  35  -9.984   2.805  -0.178
  291   2HE   MET  35           HE1      MET  35  -9.033   3.995  -1.066
  292   3HE   MET  35           HE3      MET  35  -8.750   2.273  -1.318
  293    H    TRP  36           H        TRP  36  -7.812  -1.496   1.616
  294    HA   TRP  36           HA       TRP  36  -6.124  -1.519   4.019
  295   1HB   TRP  36           HB2      TRP  36  -6.685  -3.485   1.915
  296   2HB   TRP  36           HB3      TRP  36  -4.987  -3.318   2.319
  297    HD1  TRP  36           HD1      TRP  36  -7.851  -5.308   3.255
  298    HE1  TRP  36           HE1      TRP  36  -7.575  -6.343   5.597
  299    HE3  TRP  36           HE3      TRP  36  -3.958  -2.465   4.936
  300    HZ2  TRP  36           HZ2      TRP  36  -5.922  -5.995   7.858
  301    HZ3  TRP  36           HZ3      TRP  36  -3.085  -2.877   7.195
  302    HH2  TRP  36           HH2      TRP  36  -4.051  -4.604   8.626
  303    H    THR  37           H        THR  37  -5.256   0.549   3.642
  304    HA   THR  37           HA       THR  37  -3.305   0.617   1.434
  305    HB   THR  37           HB       THR  37  -5.306   2.069   0.961
  306    HG1  THR  37           HG1      THR  37  -3.177   3.849   1.278
  307   1HG2  THR  37          1HG2      THR  37  -4.218   3.635   3.309
  308   2HG2  THR  37          3HG2      THR  37  -5.475   4.189   2.203
  309   3HG2  THR  37          2HG2      THR  37  -5.768   2.796   3.244
  310    H    ARG  38           H        ARG  38  -2.086   3.088   2.123
  311    HA   ARG  38           HA       ARG  38  -0.697   2.241   4.532
  312   1HB   ARG  38           HB2      ARG  38  -0.046   3.993   2.238
  313   2HB   ARG  38           HB3      ARG  38   0.648   4.450   3.779
  314   1HG   ARG  38           HG2      ARG  38   1.810   2.430   3.987
  315   2HG   ARG  38           HG3      ARG  38   0.920   1.705   2.645
  316   1HD   ARG  38           HD2      ARG  38   3.259   2.488   2.148
  317   2HD   ARG  38           HD3      ARG  38   2.022   3.040   1.058
  318    HE   ARG  38           HE       ARG  38   2.193   5.206   2.082
  319   1HH1  ARG  38          1HH1      ARG  38   4.626   2.902   3.038
  320   2HH1  ARG  38          2HH1      ARG  38   5.785   4.110   3.477
  321   1HH2  ARG  38          1HH2      ARG  38   3.734   6.808   2.637
  322   2HH2  ARG  38          2HH2      ARG  38   5.279   6.326   3.254
  323    H    VAL  39           H        VAL  39  -0.293   3.630   6.314
  324    HA   VAL  39           HA       VAL  39  -2.583   5.120   7.119
  325    HB   VAL  39           HB       VAL  39   0.105   5.039   8.494
  326   1HG1  VAL  39          3HG1      VAL  39  -1.398   6.761   9.325
  327   2HG1  VAL  39          2HG1      VAL  39  -2.675   5.564   9.539
  328   3HG1  VAL  39          1HG1      VAL  39  -1.211   5.473  10.517
  329   1HG2  VAL  39          1HG2      VAL  39  -0.981   2.776   7.930
  330   2HG2  VAL  39          3HG2      VAL  39  -0.474   3.071   9.593
  331   3HG2  VAL  39          2HG2      VAL  39  -2.178   3.211   9.151
  332    H    GLY  40           H        GLY  40  -2.947   7.265   7.123
  333   1HA   GLY  40           HA3      GLY  40  -0.779   9.165   6.878
  334   2HA   GLY  40           HA2      GLY  40  -2.487   9.543   7.039
  335    H    PHE  41           H        PHE  41  -2.419   7.331   4.676
  336    HA   PHE  41           HA       PHE  41  -2.242   9.384   2.576
  337   1HB   PHE  41           HB2      PHE  41  -1.340   6.513   2.295
  338   2HB   PHE  41           HB3      PHE  41  -1.219   7.777   1.074
  339    HD1  PHE  41           HD1      PHE  41   0.254   9.780   1.581
  340    HD2  PHE  41           HD2      PHE  41   0.333   6.195   3.860
  341    HE1  PHE  41           HE1      PHE  41   2.459  10.408   2.475
  342    HE2  PHE  41           HE2      PHE  41   2.540   6.811   4.764
  343    HZ   PHE  41           HZ       PHE  41   3.606   8.921   4.070
  344    H    VAL  42           H        VAL  42  -4.152   7.336   4.209
  345    HA   VAL  42           HA       VAL  42  -5.680   5.960   2.353
  346    HB   VAL  42           HB       VAL  42  -6.801   7.299   4.812
  347   1HG1  VAL  42          3HG1      VAL  42  -8.366   6.220   3.189
  348   2HG1  VAL  42          2HG1      VAL  42  -7.553   4.689   3.518
  349   3HG1  VAL  42          1HG1      VAL  42  -8.400   5.535   4.814
  350   1HG2  VAL  42          2HG2      VAL  42  -4.617   5.996   5.131
  351   2HG2  VAL  42          1HG2      VAL  42  -5.988   5.579   6.159
  352   3HG2  VAL  42          3HG2      VAL  42  -5.581   4.564   4.777
  353    H    GLY  43           H        GLY  43  -6.536   6.785   0.558
  354   1HA   GLY  43           HA3      GLY  43  -8.146   9.243   0.805
  355   2HA   GLY  43           HA2      GLY  43  -8.430   7.969  -0.373
  356    H    LYS  44           H        LYS  44  -5.220   9.118   0.333
  357    HA   LYS  44           HA       LYS  44  -5.033  11.118  -1.633
  358   1HB   LYS  44           HB2      LYS  44  -2.856   9.376  -0.467
  359   2HB   LYS  44           HB3      LYS  44  -2.606  10.869  -1.349
  360   1HG   LYS  44           HG2      LYS  44  -3.936  12.040   0.419
  361   2HG   LYS  44           HG3      LYS  44  -3.906  10.532   1.338
  362   1HD   LYS  44           HD2      LYS  44  -2.136  11.938   2.135
  363   2HD   LYS  44           HD3      LYS  44  -1.419  10.598   1.239
  364   1HE   LYS  44           HE2      LYS  44  -0.320  12.700   0.685
  365   2HE   LYS  44           HE3      LYS  44  -1.161  12.039  -0.717
  366   1HZ   LYS  44           HZ3      LYS  44  -2.983  13.574  -0.300
  367   2HZ   LYS  44           HZ2      LYS  44  -2.169  14.212   1.039
  368   3HZ   LYS  44           HZ1      LYS  44  -1.529  14.412  -0.514
  369    H    ASP  45           H        ASP  45  -3.362  10.904  -3.466
  370    HA   ASP  45           HA       ASP  45  -4.274   8.796  -5.210
  371   1HB   ASP  45           HB2      ASP  45  -2.662  11.295  -5.510
  372   2HB   ASP  45           HB3      ASP  45  -2.554  10.058  -6.753
  373    H    VAL  46           H        VAL  46  -1.501   9.528  -3.283
  374    HA   VAL  46           HA       VAL  46  -0.288   6.982  -4.061
  375    HB   VAL  46           HB       VAL  46   0.793   8.769  -5.430
  376   1HG1  VAL  46          1HG1      VAL  46   0.639  10.597  -3.824
  377   2HG1  VAL  46          3HG1      VAL  46   1.766   9.761  -2.754
  378   3HG1  VAL  46          2HG1      VAL  46   2.308  10.341  -4.330
  379   1HG2  VAL  46          1HG2      VAL  46   1.974   6.707  -4.906
  380   2HG2  VAL  46          3HG2      VAL  46   3.092   8.071  -4.936
  381   3HG2  VAL  46          2HG2      VAL  46   2.552   7.406  -3.394
  382    H    LEU  47           H        LEU  47   0.794   5.965  -2.461
  383    HA   LEU  47           HA       LEU  47   0.484   7.074   0.216
  384   1HB   LEU  47           HB2      LEU  47   1.590   4.363  -0.332
  385   2HB   LEU  47           HB3      LEU  47   0.617   4.910   1.016
  386    HG   LEU  47           HG       LEU  47  -0.389   4.434  -1.791
  387   1HD1  LEU  47          2HD1      LEU  47  -0.739   2.841   0.744
  388   2HD1  LEU  47          1HD1      LEU  47  -1.593   2.543  -0.771
  389   3HD1  LEU  47          3HD1      LEU  47   0.159   2.352  -0.693
  390   1HD2  LEU  47          1HD2      LEU  47  -1.858   5.196   0.728
  391   2HD2  LEU  47          3HD2      LEU  47  -1.633   6.205  -0.700
  392   3HD2  LEU  47          2HD2      LEU  47  -2.615   4.742  -0.799
  393    H    SER  48           H        SER  48   2.958   5.442  -1.703
  394    HA   SER  48           HA       SER  48   5.179   5.775  -0.134
  395   1HB   SER  48           HB2      SER  48   5.126   4.510  -2.258
  396   2HB   SER  48           HB3      SER  48   5.072   6.029  -3.148
  397    HG   SER  48           HG       SER  48   7.187   5.463  -3.092
  398    H    ASP  49           H        ASP  49   7.133   7.235  -0.859
  399    HA   ASP  49           HA       ASP  49   6.400   9.927  -1.602
  400   1HB   ASP  49           HB2      ASP  49   7.266   9.258   1.206
  401   2HB   ASP  49           HB3      ASP  49   7.462  10.870   0.521
  402    H    GLU  50           H        GLU  50   9.076   9.051   0.491
  403    HA   GLU  50           HA       GLU  50  10.924   9.159  -1.781
  404   1HB   GLU  50           HB2      GLU  50  12.378  10.681  -0.592
  405   2HB   GLU  50           HB3      GLU  50  10.769  11.384  -0.715
  406   1HG   GLU  50           HG2      GLU  50  10.297  10.678   1.585
  407   2HG   GLU  50           HG3      GLU  50  11.937  10.043   1.711
  408    H    ILE  51           H        ILE  51  10.269   8.227   1.528
  409    HA   ILE  51           HA       ILE  51  12.724   6.881   2.012
  410    HB   ILE  51           HB       ILE  51  10.072   6.348   3.344
  411   1HG1  ILE  51          2HG1      ILE  51  10.617   8.772   3.300
  412   2HG1  ILE  51          3HG1      ILE  51  10.608   8.094   4.922
  413   1HG2  ILE  51          3HG2      ILE  51  12.915   6.004   4.282
  414   2HG2  ILE  51          2HG2      ILE  51  11.479   5.752   5.274
  415   3HG2  ILE  51          1HG2      ILE  51  11.777   4.721   3.874
  416   1HD1  ILE  51          3HD1      ILE  51  13.075   8.610   3.278
  417   2HD1  ILE  51          2HD1      ILE  51  12.459   9.659   4.555
  418   3HD1  ILE  51          1HD1      ILE  51  13.024   8.034   4.944
  419    H    LEU  52           H        LEU  52   9.552   5.316   2.026
  420    HA   LEU  52           HA       LEU  52  10.758   2.996   0.698
  421   1HB   LEU  52           HB2      LEU  52   8.505   3.395   2.581
  422   2HB   LEU  52           HB3      LEU  52   8.323   2.112   1.401
  423    HG   LEU  52           HG       LEU  52  10.658   2.343   3.290
  424   1HD1  LEU  52          1HD1      LEU  52   8.169   0.657   3.490
  425   2HD1  LEU  52          3HD1      LEU  52   9.589   0.507   4.525
  426   3HD1  LEU  52          2HD1      LEU  52   8.628   1.985   4.558
  427   1HD2  LEU  52          1HD2      LEU  52  11.047   1.106   1.178
  428   2HD2  LEU  52          3HD2      LEU  52  11.167   0.093   2.617
  429   3HD2  LEU  52          2HD2      LEU  52   9.721   0.027   1.609
  430    H    GLU  53           H        GLU  53  10.535   2.981  -1.461
  431    HA   GLU  53           HA       GLU  53   8.534   4.363  -2.871
  432   1HB   GLU  53           HB2      GLU  53  10.872   2.979  -3.505
  433   2HB   GLU  53           HB3      GLU  53   9.594   2.084  -4.319
  434   1HG   GLU  53           HG2      GLU  53   8.815   4.169  -5.331
  435   2HG   GLU  53           HG3      GLU  53  10.153   5.016  -4.561
  436    H    VAL  54           H        VAL  54   6.664   3.667  -1.684
  437    HA   VAL  54           HA       VAL  54   5.827   0.910  -1.945
  438    HB   VAL  54           HB       VAL  54   4.169   3.158  -0.830
  439   1HG1  VAL  54          1HG1      VAL  54   3.003   1.072  -1.300
  440   2HG1  VAL  54          3HG1      VAL  54   4.186   0.182  -0.340
  441   3HG1  VAL  54          2HG1      VAL  54   3.116   1.348   0.438
  442   1HG2  VAL  54          2HG2      VAL  54   6.428   1.646   0.415
  443   2HG2  VAL  54          1HG2      VAL  54   6.059   3.367   0.490
  444   3HG2  VAL  54          3HG2      VAL  54   5.084   2.218   1.404
  445    H    VAL  55           H        VAL  55   5.502   0.639  -4.152
  446    HA   VAL  55           HA       VAL  55   3.570   2.313  -5.516
  447    HB   VAL  55           HB       VAL  55   4.827  -0.236  -6.513
  448   1HG1  VAL  55          1HG1      VAL  55   2.768   0.624  -7.643
  449   2HG1  VAL  55          3HG1      VAL  55   3.678   2.077  -8.060
  450   3HG1  VAL  55          2HG1      VAL  55   4.185   0.508  -8.688
  451   1HG2  VAL  55          2HG2      VAL  55   5.791   2.603  -6.841
  452   2HG2  VAL  55          1HG2      VAL  55   6.592   1.326  -5.928
  453   3HG2  VAL  55          3HG2      VAL  55   6.451   1.200  -7.681
  454    H    CYS  56           H        CYS  56   1.750   1.931  -4.288
  455    HA   CYS  56           HA       CYS  56   0.712  -0.805  -4.215
  456   1HB   CYS  56           HB2      CYS  56   0.745   0.216  -2.053
  457   2HB   CYS  56           HB3      CYS  56  -0.045   1.668  -2.661
  458    HG   CYS  56           HG       CYS  56  -1.574  -1.391  -2.605
  459    H    LYS  57           H        LYS  57  -0.821  -1.415  -5.529
  460    HA   LYS  57           HA       LYS  57  -2.470   0.634  -6.845
  461   1HB   LYS  57           HB2      LYS  57  -2.043  -2.110  -7.966
  462   2HB   LYS  57           HB3      LYS  57  -2.503  -0.636  -8.803
  463   1HG   LYS  57           HG2      LYS  57  -0.274   0.248  -8.579
  464   2HG   LYS  57           HG3      LYS  57   0.213  -1.141  -7.606
  465   1HD   LYS  57           HD2      LYS  57   1.020  -1.489  -9.825
  466   2HD   LYS  57           HD3      LYS  57  -0.325  -2.601  -9.561
  467   1HE   LYS  57           HE2      LYS  57  -1.821  -1.056 -10.741
  468   2HE   LYS  57           HE3      LYS  57  -0.465   0.035 -11.022
  469   1HZ   LYS  57           HZ1      LYS  57   0.617  -1.705 -12.308
  470   2HZ   LYS  57           HZ3      LYS  57  -0.692  -2.744 -12.045
  471   3HZ   LYS  57           HZ2      LYS  57  -0.900  -1.335 -12.956
  472    H    TYR  58           H        TYR  58  -4.379   0.673  -5.892
  473    HA   TYR  58           HA       TYR  58  -5.467  -1.642  -4.575
  474   1HB   TYR  58           HB2      TYR  58  -5.741   0.719  -3.718
  475   2HB   TYR  58           HB3      TYR  58  -6.836   1.014  -5.067
  476    HD1  TYR  58           HD1      TYR  58  -7.005   0.779  -1.786
  477    HD2  TYR  58           HD2      TYR  58  -8.460  -1.425  -5.139
  478    HE1  TYR  58           HE1      TYR  58  -8.890  -0.054  -0.442
  479    HE2  TYR  58           HE2      TYR  58 -10.325  -2.281  -3.803
  480    HH   TYR  58           HH       TYR  58 -11.141  -0.958  -0.766
  481    H    THR  59           H        THR  59  -6.612  -3.149  -5.522
  482    HA   THR  59           HA       THR  59  -8.121  -2.491  -7.972
  483    HB   THR  59           HB       THR  59  -7.279  -5.304  -7.433
  484    HG1  THR  59           HG1      THR  59  -5.557  -3.232  -8.361
  485   1HG2  THR  59          1HG2      THR  59  -7.502  -3.627  -9.936
  486   2HG2  THR  59          3HG2      THR  59  -7.131  -5.350  -9.883
  487   3HG2  THR  59          2HG2      THR  59  -8.706  -4.771  -9.344
  488    HA   PRO  60           HA       PRO  60 -11.425  -3.967  -5.324
  489   1HB   PRO  60           HB2      PRO  60 -13.406  -2.682  -6.573
  490   2HB   PRO  60           HB3      PRO  60 -12.218  -1.814  -5.601
  491   1HG   PRO  60           HG2      PRO  60 -12.502  -1.970  -8.547
  492   2HG   PRO  60           HG3      PRO  60 -11.827  -0.674  -7.549
  493   1HD   PRO  60           HD2      PRO  60 -10.411  -2.690  -8.965
  494   2HD   PRO  60           HD3      PRO  60  -9.748  -1.458  -7.876
  495    H    THR  61           H        THR  61 -13.268  -5.333  -5.521
  496    HA   THR  61           HA       THR  61 -13.073  -7.199  -7.715
  497    HB   THR  61           HB       THR  61 -15.325  -7.558  -5.866
  498    HG1  THR  61           HG1      THR  61 -14.188  -6.945  -4.172
  499   1HG2  THR  61          3HG2      THR  61 -12.945  -9.249  -6.637
  500   2HG2  THR  61          2HG2      THR  61 -14.291  -9.797  -5.639
  501   3HG2  THR  61          1HG2      THR  61 -14.568  -9.341  -7.320
  502    HA   PRO  62           HA       PRO  62 -16.252  -5.505 -10.288
  503   1HB   PRO  62           HB2      PRO  62 -16.969  -8.308 -10.922
  504   2HB   PRO  62           HB3      PRO  62 -16.460  -7.006 -12.000
  505   1HG   PRO  62           HG2      PRO  62 -14.811  -9.022 -11.416
  506   2HG   PRO  62           HG3      PRO  62 -14.205  -7.362 -11.577
  507   1HD   PRO  62           HD2      PRO  62 -14.770  -8.936  -9.095
  508   2HD   PRO  62           HD3      PRO  62 -13.409  -7.853  -9.459
  509    H    SER  63           H        SER  63 -18.539  -5.357 -10.488
  510    HA   SER  63           HA       SER  63 -19.987  -6.541  -8.212
  511   1HB   SER  63           HB2      SER  63 -19.731  -4.026  -8.268
  512   2HB   SER  63           HB3      SER  63 -20.744  -4.028  -9.713
  513    HG   SER  63           HG       SER  63 -21.557  -3.979  -7.238
  514    H    SER  64           H        SER  64 -22.582  -5.924  -9.043
  515    HA   SER  64           HA       SER  64 -22.895  -7.849 -11.237
  516   1HB   SER  64           HB2      SER  64 -23.985  -8.465  -9.134
  517   2HB   SER  64           HB3      SER  64 -24.885  -6.949  -9.141
  518    HG   SER  64           HG       SER  64 -26.274  -8.317 -10.058
  519    H    THR  65           H        THR  65 -24.662  -4.983 -10.024
  520    HA   THR  65           HA       THR  65 -25.928  -4.500 -12.507
  521    HB   THR  65           HB       THR  65 -25.565  -2.583 -10.205
  522    HG1  THR  65           HG1      THR  65 -27.137  -3.659  -9.285
  523   1HG2  THR  65          2HG2      THR  65 -27.521  -2.562 -12.507
  524   2HG2  THR  65          1HG2      THR  65 -27.534  -1.448 -11.141
  525   3HG2  THR  65          3HG2      THR  65 -26.182  -1.439 -12.272
  526    HA   PRO  66           HA       PRO  66 -22.660  -0.991 -13.076
  527   1HB   PRO  66           HB2      PRO  66 -20.463  -1.642 -11.262
  528   2HB   PRO  66           HB3      PRO  66 -21.364  -0.134 -11.421
  529   1HG   PRO  66           HG2      PRO  66 -21.594  -1.730  -9.254
  530   2HG   PRO  66           HG3      PRO  66 -22.946  -0.760  -9.870
  531   1HD   PRO  66           HD2      PRO  66 -22.375  -3.679 -10.270
  532   2HD   PRO  66           HD3      PRO  66 -23.917  -2.882  -9.895
  533    H    MET  67           H        MET  67 -19.901  -1.157 -13.298
  534    HA   MET  67           HA       MET  67 -19.280  -3.776 -14.422
  535   1HB   MET  67           HB2      MET  67 -19.239  -1.221 -16.042
  536   2HB   MET  67           HB3      MET  67 -18.493  -2.729 -16.554
  537   1HG   MET  67           HG2      MET  67 -20.700  -3.815 -16.481
  538   2HG   MET  67           HG3      MET  67 -21.423  -2.268 -16.045
  539   1HE   MET  67           HE1      MET  67 -19.717  -0.240 -17.809
  540   2HE   MET  67           HE3      MET  67 -20.725  -0.124 -19.253
  541   3HE   MET  67           HE2      MET  67 -21.472  -0.151 -17.655
  542    H    VAL  68           H        VAL  68 -18.435  -1.805 -12.264
  543    HA   VAL  68           HA       VAL  68 -15.661  -1.307 -13.019
  544    HB   VAL  68           HB       VAL  68 -17.029   0.462 -11.889
  545   1HG1  VAL  68          3HG1      VAL  68 -18.261  -0.962 -10.343
  546   2HG1  VAL  68          2HG1      VAL  68 -16.765  -1.354  -9.495
  547   3HG1  VAL  68          1HG1      VAL  68 -17.383   0.298  -9.475
  548   1HG2  VAL  68          2HG2      VAL  68 -14.596   0.549 -11.887
  549   2HG2  VAL  68          1HG2      VAL  68 -15.240   1.162 -10.363
  550   3HG2  VAL  68          3HG2      VAL  68 -14.547  -0.458 -10.440
  551    H    GLY  69           H        GLY  69 -13.918  -2.239 -12.012
  552   1HA   GLY  69           HA3      GLY  69 -14.538  -4.493 -10.201
  553   2HA   GLY  69           HA2      GLY  69 -13.130  -3.464  -9.980
  554    H    VAL  70           H        VAL  70 -11.467  -4.835 -10.306
  555    HA   VAL  70           HA       VAL  70 -11.528  -6.766 -12.458
  556    HB   VAL  70           HB       VAL  70 -10.843  -4.582 -13.518
  557   1HG1  VAL  70          2HG1      VAL  70  -9.518  -3.762 -11.593
  558   2HG1  VAL  70          1HG1      VAL  70  -8.303  -4.990 -11.947
  559   3HG1  VAL  70          3HG1      VAL  70  -8.633  -3.715 -13.119
  560   1HG2  VAL  70          1HG2      VAL  70 -10.310  -6.765 -14.505
  561   2HG2  VAL  70          3HG2      VAL  70  -9.066  -5.563 -14.843
  562   3HG2  VAL  70          2HG2      VAL  70  -8.793  -6.791 -13.607
  563    H    GLY  71           H        GLY  71 -10.969  -6.308  -9.425
  564   1HA   GLY  71           HA3      GLY  71  -8.501  -6.768  -8.552
  565   2HA   GLY  71           HA2      GLY  71  -8.872  -8.312  -9.296
  566    H    GLY  72           H        GLY  72  -9.555  -6.140  -6.665
  567   1HA   GLY  72           HA3      GLY  72 -11.190  -8.244  -5.396
  568   2HA   GLY  72           HA2      GLY  72 -11.316  -6.532  -5.027
  569    H    ILE  73           H        ILE  73  -8.280  -6.413  -5.153
  570    HA   ILE  73           HA       ILE  73  -7.866  -7.184  -2.377
  571    HB   ILE  73           HB       ILE  73  -5.628  -8.088  -2.888
  572   1HG1  ILE  73          2HG1      ILE  73  -6.426  -8.504  -5.728
  573   2HG1  ILE  73          3HG1      ILE  73  -5.694  -6.971  -5.255
  574   1HG2  ILE  73          1HG2      ILE  73  -7.571  -9.544  -2.491
  575   2HG2  ILE  73          3HG2      ILE  73  -7.800  -9.651  -4.238
  576   3HG2  ILE  73          2HG2      ILE  73  -6.322 -10.278  -3.499
  577   1HD1  ILE  73          1HD1      ILE  73  -3.768  -8.196  -4.349
  578   2HD1  ILE  73          3HD1      ILE  73  -4.495  -9.708  -4.896
  579   3HD1  ILE  73          2HD1      ILE  73  -4.005  -8.489  -6.074
  580    H    TYR  74           H        TYR  74  -5.161  -6.623  -2.248
  581    HA   TYR  74           HA       TYR  74  -4.898  -3.859  -3.184
  582   1HB   TYR  74           HB2      TYR  74  -4.035  -4.604  -0.409
  583   2HB   TYR  74           HB3      TYR  74  -4.441  -3.018  -1.056
  584    HD1  TYR  74           HD1      TYR  74  -5.874  -6.221   0.123
  585    HD2  TYR  74           HD2      TYR  74  -6.673  -2.187  -0.958
  586    HE1  TYR  74           HE1      TYR  74  -8.132  -6.428   1.055
  587    HE2  TYR  74           HE2      TYR  74  -8.938  -2.391  -0.017
  588    HH   TYR  74           HH       TYR  74  -9.895  -4.960   1.955
  589    H    VAL  75           H        VAL  75  -3.181  -4.039  -4.529
  590    HA   VAL  75           HA       VAL  75  -1.002  -5.856  -3.873
  591    HB   VAL  75           HB       VAL  75  -1.509  -4.165  -6.324
  592   1HG1  VAL  75          3HG1      VAL  75   0.711  -6.132  -5.774
  593   2HG1  VAL  75          2HG1      VAL  75   0.368  -5.396  -7.340
  594   3HG1  VAL  75          1HG1      VAL  75   0.882  -4.390  -5.985
  595   1HG2  VAL  75          1HG2      VAL  75  -3.023  -6.067  -6.062
  596   2HG2  VAL  75          3HG2      VAL  75  -1.925  -6.301  -7.422
  597   3HG2  VAL  75          2HG2      VAL  75  -1.638  -7.148  -5.902
  598    H    VAL  76           H        VAL  76   0.354  -5.044  -2.398
  599    HA   VAL  76           HA       VAL  76   1.231  -2.250  -2.698
  600    HB   VAL  76           HB       VAL  76   1.577  -4.038  -0.291
  601   1HG1  VAL  76          3HG1      VAL  76   1.965  -1.068  -0.657
  602   2HG1  VAL  76          2HG1      VAL  76   2.102  -1.938   0.871
  603   3HG1  VAL  76          1HG1      VAL  76   3.239  -2.266  -0.438
  604   1HG2  VAL  76          1HG2      VAL  76  -0.789  -3.611  -0.705
  605   2HG2  VAL  76          3HG2      VAL  76  -0.233  -2.746   0.728
  606   3HG2  VAL  76          2HG2      VAL  76  -0.470  -1.878  -0.789
  607    H    LEU  77           H        LEU  77   3.147  -1.906  -3.587
  608    HA   LEU  77           HA       LEU  77   5.217  -3.989  -3.371
  609   1HB   LEU  77           HB2      LEU  77   4.804  -1.835  -5.441
  610   2HB   LEU  77           HB3      LEU  77   6.257  -2.812  -5.346
  611    HG   LEU  77           HG       LEU  77   3.456  -3.830  -5.875
  612   1HD1  LEU  77          1HD1      LEU  77   5.854  -3.591  -7.685
  613   2HD1  LEU  77          3HD1      LEU  77   4.314  -4.337  -8.107
  614   3HD1  LEU  77          2HD1      LEU  77   4.391  -2.609  -7.762
  615   1HD2  LEU  77          2HD2      LEU  77   5.150  -5.307  -4.585
  616   2HD2  LEU  77          1HD2      LEU  77   4.287  -5.986  -5.968
  617   3HD2  LEU  77          3HD2      LEU  77   5.954  -5.444  -6.148
  618    H    VAL  78           H        VAL  78   6.345  -3.446  -1.577
  619    HA   VAL  78           HA       VAL  78   7.039  -0.634  -1.171
  620    HB   VAL  78           HB       VAL  78   8.116  -2.405   0.838
  621   1HG1  VAL  78          2HG1      VAL  78   7.764  -0.003   1.134
  622   2HG1  VAL  78          1HG1      VAL  78   6.021  -0.220   0.932
  623   3HG1  VAL  78          3HG1      VAL  78   6.847  -0.919   2.329
  624   1HG2  VAL  78          1HG2      VAL  78   6.267  -3.869   0.163
  625   2HG2  VAL  78          3HG2      VAL  78   6.033  -3.218   1.784
  626   3HG2  VAL  78          2HG2      VAL  78   5.133  -2.544   0.426
  627    H    LYS  79           H        LYS  79   8.711  -0.071  -2.403
  628    HA   LYS  79           HA       LYS  79  11.048  -1.828  -2.550
  629   1HB   LYS  79           HB2      LYS  79   9.857   0.229  -4.327
  630   2HB   LYS  79           HB3      LYS  79  11.606   0.088  -4.329
  631   1HG   LYS  79           HG2      LYS  79  11.362  -2.331  -4.824
  632   2HG   LYS  79           HG3      LYS  79   9.611  -2.077  -4.971
  633   1HD   LYS  79           HD2      LYS  79  11.715  -0.661  -6.615
  634   2HD   LYS  79           HD3      LYS  79  10.795  -2.070  -7.150
  635   1HE   LYS  79           HE2      LYS  79   8.718  -0.816  -6.927
  636   2HE   LYS  79           HE3      LYS  79   9.615   0.587  -6.349
  637   1HZ   LYS  79           HZ1      LYS  79   9.898  -0.647  -9.035
  638   2HZ   LYS  79           HZ3      LYS  79   9.060   0.783  -8.693
  639   3HZ   LYS  79           HZ2      LYS  79  10.736   0.713  -8.479
  640    HA   PRO  80           HA       PRO  80  12.706   0.986   0.630
  641   1HB   PRO  80           HB2      PRO  80  15.089  -0.683   0.002
  642   2HB   PRO  80           HB3      PRO  80  14.398  -0.249   1.568
  643   1HG   PRO  80           HG2      PRO  80  14.069  -2.693   0.537
  644   2HG   PRO  80           HG3      PRO  80  12.791  -1.898   1.469
  645   1HD   PRO  80           HD2      PRO  80  13.004  -2.339  -1.462
  646   2HD   PRO  80           HD3      PRO  80  11.564  -2.274  -0.430
  647    H    ARG  81           H        ARG  81  12.781   2.885  -0.560
  648    HA   ARG  81           HA       ARG  81  14.513   3.307  -2.764
  649   1HB   ARG  81           HB2      ARG  81  12.504   4.771  -1.343
  650   2HB   ARG  81           HB3      ARG  81  13.918   5.793  -1.557
  651   1HG   ARG  81           HG2      ARG  81  13.854   5.404  -3.953
  652   2HG   ARG  81           HG3      ARG  81  12.478   4.318  -3.749
  653   1HD   ARG  81           HD2      ARG  81  11.125   6.139  -2.905
  654   2HD   ARG  81           HD3      ARG  81  12.502   7.236  -2.993
  655    HE   ARG  81           HE       ARG  81  12.284   6.384  -5.534
  656   1HH1  ARG  81          1HH1      ARG  81   9.950   7.657  -3.284
  657   2HH1  ARG  81          2HH1      ARG  81   8.966   8.377  -4.514
  658   1HH2  ARG  81          1HH2      ARG  81  10.998   7.328  -7.159
  659   2HH2  ARG  81          2HH2      ARG  81   9.562   8.191  -6.717
  660    H    LYS  82           H        LYS  82  14.747   4.050   0.688
  661    HA   LYS  82           HA       LYS  82  17.561   4.813   0.256
  662   1HB   LYS  82           HB2      LYS  82  15.779   5.640   2.552
  663   2HB   LYS  82           HB3      LYS  82  17.416   6.200   2.239
  664   1HG   LYS  82           HG2      LYS  82  16.605   7.207   0.118
  665   2HG   LYS  82           HG3      LYS  82  14.964   6.755   0.586
  666   1HD   LYS  82           HD2      LYS  82  15.141   8.123   2.592
  667   2HD   LYS  82           HD3      LYS  82  16.800   8.552   2.168
  668   1HE   LYS  82           HE2      LYS  82  15.971   9.594   0.094
  669   2HE   LYS  82           HE3      LYS  82  14.321   9.218   0.586
  670   1HZ   LYS  82           HZ1      LYS  82  14.628  10.610   2.541
  671   2HZ   LYS  82           HZ3      LYS  82  16.207  10.977   2.058
  672   3HZ   LYS  82           HZ2      LYS  82  14.895  11.495   1.125
  673    H    ARG  83           H        ARG  83  18.996   4.363   2.145
  674    HA   ARG  83           HA       ARG  83  18.416   1.688   3.193
  675   1HB   ARG  83           HB2      ARG  83  21.059   3.139   3.253
  676   2HB   ARG  83           HB3      ARG  83  20.769   1.416   3.446
  677   1HG   ARG  83           HG2      ARG  83  20.420   1.083   1.191
  678   2HG   ARG  83           HG3      ARG  83  20.006   2.774   0.902
  679   1HD   ARG  83           HD2      ARG  83  22.739   1.676   1.532
  680   2HD   ARG  83           HD3      ARG  83  22.182   2.280  -0.027
  681    HE   ARG  83           HE       ARG  83  21.839   4.322   1.828
  682   1HH1  ARG  83          1HH1      ARG  83  24.451   2.512   0.397
  683   2HH1  ARG  83          2HH1      ARG  83  25.593   3.807   0.533
  684   1HH2  ARG  83          1HH2      ARG  83  23.337   6.030   2.011
  685   2HH2  ARG  83          2HH2      ARG  83  24.961   5.806   1.452
  686    H    GLY  84           H        GLY  84  17.742   1.511   5.237
  687   1HA   GLY  84           HA3      GLY  84  17.998   3.762   7.049
  688   2HA   GLY  84           HA2      GLY  84  18.901   2.329   7.518
  689    H    HIS  85           H        HIS  85  16.653   3.642   8.867
  690    HA   HIS  85           HA       HIS  85  15.050   1.256   9.262
  691   1HB   HIS  85           HB2      HIS  85  15.906   2.518  11.199
  692   2HB   HIS  85           HB3      HIS  85  14.949   3.908  10.701
  693    HD1  HIS  85           HD1      HIS  85  12.568   3.995  11.479
  694    HD2  HIS  85           HD2      HIS  85  14.301   0.263  12.057
  695    HE1  HIS  85           HE1      HIS  85  10.905   2.683  12.834
  696    HE2  HIS  85           HE2      HIS  85  12.016   0.461  13.250
  697    H    HIS  86           H        HIS  86  13.575   0.995   7.734
  698    HA   HIS  86           HA       HIS  86  11.736   3.228   7.169
  699   1HB   HIS  86           HB2      HIS  86  12.479   0.911   5.368
  700   2HB   HIS  86           HB3      HIS  86  11.308   2.169   4.983
  701    HD1  HIS  86           HD1      HIS  86  13.942   3.860   6.643
  702    HD2  HIS  86           HD2      HIS  86  13.437   2.311   2.822
  703    HE1  HIS  86           HE1      HIS  86  15.648   5.029   5.215
  704    HE2  HIS  86           HE2      HIS  86  15.251   4.152   2.887
  705    H    THR  87           H        THR  87   9.498   2.465   6.529
  706    HA   THR  87           HA       THR  87   8.683  -0.117   7.508
  707    HB   THR  87           HB       THR  87   7.750   2.338   9.001
  708    HG1  THR  87           HG1      THR  87   9.029   1.629  10.645
  709   1HG2  THR  87          1HG2      THR  87   6.034   0.595   8.746
  710   2HG2  THR  87          3HG2      THR  87   7.146  -0.584   9.441
  711   3HG2  THR  87          2HG2      THR  87   6.563   0.762  10.420
  712    H    LEU  88           H        LEU  88   6.569  -0.675   6.954
  713    HA   LEU  88           HA       LEU  88   5.218   1.208   5.137
  714   1HB   LEU  88           HB2      LEU  88   5.983  -0.648   3.871
  715   2HB   LEU  88           HB3      LEU  88   5.439  -1.791   5.079
  716    HG   LEU  88           HG       LEU  88   3.060  -0.891   4.507
  717   1HD1  LEU  88          1HD1      LEU  88   3.860   0.987   3.140
  718   2HD1  LEU  88          3HD1      LEU  88   4.547  -0.162   1.992
  719   3HD1  LEU  88          2HD1      LEU  88   2.803  -0.100   2.240
  720   1HD2  LEU  88          2HD2      LEU  88   4.715  -2.707   2.786
  721   2HD2  LEU  88          1HD2      LEU  88   3.579  -3.139   4.061
  722   3HD2  LEU  88          3HD2      LEU  88   2.984  -2.483   2.535
  723    H    GLU  89           H        GLU  89   3.862   2.137   6.635
  724    HA   GLU  89           HA       GLU  89   2.321   0.579   8.465
  725   1HB   GLU  89           HB2      GLU  89   2.221   3.480   7.655
  726   2HB   GLU  89           HB3      GLU  89   1.179   2.779   8.886
  727   1HG   GLU  89           HG2      GLU  89   3.063   2.201  10.226
  728   2HG   GLU  89           HG3      GLU  89   4.180   2.745   8.978
  729    H    LEU  90           H        LEU  90   0.960  -0.834   7.443
  730    HA   LEU  90           HA       LEU  90  -1.005   0.340   5.591
  731   1HB   LEU  90           HB2      LEU  90  -0.087  -2.504   5.955
  732   2HB   LEU  90           HB3      LEU  90  -1.538  -2.096   5.066
  733    HG   LEU  90           HG       LEU  90   1.270  -1.229   4.368
  734   1HD1  LEU  90          3HD1      LEU  90  -0.601  -3.221   3.100
  735   2HD1  LEU  90          2HD1      LEU  90   0.919  -2.671   2.394
  736   3HD1  LEU  90          1HD1      LEU  90   0.925  -3.570   3.911
  737   1HD2  LEU  90          1HD2      LEU  90  -1.341  -0.729   2.942
  738   2HD2  LEU  90          3HD2      LEU  90  -0.351   0.481   3.759
  739   3HD2  LEU  90          2HD2      LEU  90   0.262  -0.335   2.322
  740    H    VAL  91           H        VAL  91  -3.077   0.482   6.181
  741    HA   VAL  91           HA       VAL  91  -3.963  -1.003   8.558
  742    HB   VAL  91           HB       VAL  91  -3.334   1.216   9.317
  743   1HG1  VAL  91          1HG1      VAL  91  -5.219   2.215   7.183
  744   2HG1  VAL  91          3HG1      VAL  91  -4.517   3.218   8.454
  745   3HG1  VAL  91          2HG1      VAL  91  -3.471   2.452   7.259
  746   1HG2  VAL  91          2HG2      VAL  91  -5.275   0.175  10.366
  747   2HG2  VAL  91          1HG2      VAL  91  -5.446   1.928  10.317
  748   3HG2  VAL  91          3HG2      VAL  91  -6.333   0.924   9.171
  749    H    TYR  92           H        TYR  92  -6.247  -1.231   8.760
  750    HA   TYR  92           HA       TYR  92  -7.675  -1.160   6.200
  751   1HB   TYR  92           HB2      TYR  92  -7.445  -3.292   7.616
  752   2HB   TYR  92           HB3      TYR  92  -8.579  -2.537   8.728
  753    HD1  TYR  92           HD1      TYR  92 -10.569  -3.701   8.568
  754    HD2  TYR  92           HD2      TYR  92  -8.522  -2.639   4.994
  755    HE1  TYR  92           HE1      TYR  92 -12.445  -4.576   7.240
  756    HE2  TYR  92           HE2      TYR  92 -10.393  -3.509   3.657
  757    HH   TYR  92           HH       TYR  92 -12.239  -5.121   3.902
  758    H    THR  93           H        THR  93  -8.197   1.054   6.215
  759    HA   THR  93           HA       THR  93 -10.080   1.912   8.326
  760    HB   THR  93           HB       THR  93  -8.055   3.191   8.478
  761    HG1  THR  93           HG1      THR  93  -9.813   4.886   7.047
  762   1HG2  THR  93          3HG2      THR  93  -8.326   3.252   5.522
  763   2HG2  THR  93          2HG2      THR  93  -7.629   4.674   6.304
  764   3HG2  THR  93          1HG2      THR  93  -6.882   3.089   6.524
  765    H    ARG  94           H        ARG  94 -11.515   3.741   7.615
  766    HA   ARG  94           HA       ARG  94 -12.626   3.131   4.971
  767   1HB   ARG  94           HB2      ARG  94 -13.835   4.649   7.291
  768   2HB   ARG  94           HB3      ARG  94 -14.652   4.276   5.780
  769   1HG   ARG  94           HG2      ARG  94 -14.453   1.885   6.274
  770   2HG   ARG  94           HG3      ARG  94 -13.668   2.281   7.804
  771   1HD   ARG  94           HD2      ARG  94 -16.039   1.791   8.124
  772   2HD   ARG  94           HD3      ARG  94 -15.665   3.463   8.541
  773    HE   ARG  94           HE       ARG  94 -16.499   3.341   5.860
  774   1HH1  ARG  94          1HH1      ARG  94 -17.764   2.989   9.088
  775   2HH1  ARG  94          2HH1      ARG  94 -19.362   3.493   8.656
  776   1HH2  ARG  94          1HH2      ARG  94 -18.601   4.007   5.282
  777   2HH2  ARG  94          2HH2      ARG  94 -19.838   4.074   6.492
  778    HA   PRO  95           HA       PRO  95 -10.228   6.881   3.770
  779   1HB   PRO  95           HB2      PRO  95 -11.880   6.149   1.378
  780   2HB   PRO  95           HB3      PRO  95 -10.205   6.707   1.454
  781   1HG   PRO  95           HG2      PRO  95 -10.763   4.120   1.121
  782   2HG   PRO  95           HG3      PRO  95  -9.410   4.637   2.141
  783   1HD   PRO  95           HD2      PRO  95 -12.032   3.505   2.918
  784   2HD   PRO  95           HD3      PRO  95 -10.477   3.449   3.765
  785    H    PHE  96           H        PHE  96 -13.664   6.208   3.273
  786    HA   PHE  96           HA       PHE  96 -14.447   8.857   2.727
  787   1HB   PHE  96           HB2      PHE  96 -16.027   6.507   3.777
  788   2HB   PHE  96           HB3      PHE  96 -16.712   7.986   3.134
  789    HD1  PHE  96           HD1      PHE  96 -16.959   8.327   0.812
  790    HD2  PHE  96           HD2      PHE  96 -14.733   5.005   2.269
  791    HE1  PHE  96           HE1      PHE  96 -16.908   7.371  -1.455
  792    HE2  PHE  96           HE2      PHE  96 -14.676   4.045   0.005
  793    HZ   PHE  96           HZ       PHE  96 -15.765   5.228  -1.861
  794    H    GLU  97           H        GLU  97 -14.428   6.914   5.702
  795    HA   GLU  97           HA       GLU  97 -15.350   9.216   7.242
  796   1HB   GLU  97           HB2      GLU  97 -14.783   6.379   8.124
  797   2HB   GLU  97           HB3      GLU  97 -15.489   7.639   9.125
  798   1HG   GLU  97           HG2      GLU  97 -16.711   6.474   6.634
  799   2HG   GLU  97           HG3      GLU  97 -17.182   6.108   8.293
  800    H    GLY  98           H        GLY  98 -12.970   6.760   8.161
  801   1HA   GLY  98           HA3      GLY  98 -11.397   8.645   9.607
  802   2HA   GLY  98           HA2      GLY  98 -10.634   8.242   8.074
  803    H    ILE  99           H        ILE  99  -9.064   7.595   9.918
  804    HA   ILE  99           HA       ILE  99  -9.251   4.695  10.081
  805    HB   ILE  99           HB       ILE  99  -6.902   6.314  10.995
  806   1HG1  ILE  99          2HG1      ILE  99  -7.261   5.363   8.158
  807   2HG1  ILE  99          3HG1      ILE  99  -7.748   6.983   8.652
  808   1HG2  ILE  99          2HG2      ILE  99  -7.459   3.502  10.178
  809   2HG2  ILE  99          1HG2      ILE  99  -5.848   4.166   9.879
  810   3HG2  ILE  99          3HG2      ILE  99  -6.493   4.120  11.520
  811   1HD1  ILE  99          3HD1      ILE  99  -4.970   5.829   8.835
  812   2HD1  ILE  99          2HD1      ILE  99  -5.542   6.988   7.634
  813   3HD1  ILE  99          1HD1      ILE  99  -5.450   7.451   9.335
  814    H    LYS 100           H        LYS 100  -8.906   3.531  12.005
  815    HA   LYS 100           HA       LYS 100  -9.134   5.008  14.521
  816   1HB   LYS 100           HB2      LYS 100 -11.001   2.801  13.651
  817   2HB   LYS 100           HB3      LYS 100 -10.967   3.512  15.248
  818   1HG   LYS 100           HG2      LYS 100 -11.734   5.599  14.435
  819   2HG   LYS 100           HG3      LYS 100 -11.468   5.115  12.759
  820   1HD   LYS 100           HD2      LYS 100 -13.174   3.174  13.792
  821   2HD   LYS 100           HD3      LYS 100 -13.773   4.697  14.453
  822   1HE   LYS 100           HE2      LYS 100 -13.222   4.151  11.541
  823   2HE   LYS 100           HE3      LYS 100 -14.816   4.139  12.296
  824   1HZ   LYS 100           HZ1      LYS 100 -14.509   6.474  12.871
  825   2HZ   LYS 100           HZ3      LYS 100 -12.997   6.479  12.111
  826   3HZ   LYS 100           HZ2      LYS 100 -14.401   6.238  11.200
  827    HA   PRO 101           HA       PRO 101  -6.422   1.969  16.185
  828   1HB   PRO 101           HB2      PRO 101  -7.473   1.485  18.655
  829   2HB   PRO 101           HB3      PRO 101  -6.597   2.962  18.243
  830   1HG   PRO 101           HG2      PRO 101  -9.547   2.487  18.394
  831   2HG   PRO 101           HG3      PRO 101  -8.607   3.883  18.951
  832   1HD   PRO 101           HD2      PRO 101 -10.001   3.901  16.636
  833   2HD   PRO 101           HD3      PRO 101  -8.487   4.805  16.847
  834    H    GLU 102           H        GLU 102  -9.851   1.190  16.673
  835    HA   GLU 102           HA       GLU 102  -9.537  -1.560  17.097
  836   1HB   GLU 102           HB2      GLU 102 -11.941  -1.703  16.390
  837   2HB   GLU 102           HB3      GLU 102 -11.610  -0.552  17.680
  838   1HG   GLU 102           HG2      GLU 102 -11.604   1.259  16.050
  839   2HG   GLU 102           HG3      GLU 102 -11.970   0.102  14.774
  840    H    ASN 103           H        ASN 103  -9.561   0.357  14.212
  841    HA   ASN 103           HA       ASN 103 -10.172  -1.531  12.270
  842   1HB   ASN 103           HB2      ASN 103  -8.296   0.831  12.215
  843   2HB   ASN 103           HB3      ASN 103  -8.658  -0.127  10.785
  844   1HD2  ASN 103          1HD2      ASN 103 -11.112   0.319  13.169
  845   2HD2  ASN 103          2HD2      ASN 103 -12.070   1.445  12.276
  846    H    GLU 104           H        GLU 104  -8.920  -2.923  10.983
  847    HA   GLU 104           HA       GLU 104  -7.008  -4.455  12.279
  848   1HB   GLU 104           HB2      GLU 104  -8.233  -4.334   9.666
  849   2HB   GLU 104           HB3      GLU 104  -6.542  -4.784   9.554
  850   1HG   GLU 104           HG2      GLU 104  -7.692  -6.802   9.744
  851   2HG   GLU 104           HG3      GLU 104  -7.043  -6.503  11.351
  852    H    ARG 105           H        ARG 105  -4.754  -4.809  11.636
  853    HA   ARG 105           HA       ARG 105  -3.411  -2.339  10.756
  854   1HB   ARG 105           HB2      ARG 105  -3.341  -2.583  13.234
  855   2HB   ARG 105           HB3      ARG 105  -2.520  -4.124  13.032
  856   1HG   ARG 105           HG2      ARG 105  -0.736  -2.742  13.432
  857   2HG   ARG 105           HG3      ARG 105  -0.814  -2.686  11.667
  858   1HD   ARG 105           HD2      ARG 105  -1.921  -0.586  11.681
  859   2HD   ARG 105           HD3      ARG 105  -2.185  -0.671  13.424
  860    HE   ARG 105           HE       ARG 105   0.561  -0.798  12.954
  861   1HH1  ARG 105          1HH1      ARG 105  -2.071   1.462  12.618
  862   2HH1  ARG 105          2HH1      ARG 105  -1.070   2.859  12.833
  863   1HH2  ARG 105          1HH2      ARG 105   1.887   1.038  13.240
  864   2HH2  ARG 105          2HH2      ARG 105   1.180   2.618  13.186
  865    H    TYR 106           H        TYR 106  -1.186  -2.683  10.023
  866    HA   TYR 106           HA       TYR 106  -0.015  -5.193   9.617
  867   1HB   TYR 106           HB2      TYR 106  -1.929  -5.451   8.036
  868   2HB   TYR 106           HB3      TYR 106  -1.303  -4.082   7.117
  869    HD1  TYR 106           HD1      TYR 106  -0.654  -7.566   8.134
  870    HD2  TYR 106           HD2      TYR 106   0.553  -4.351   5.624
  871    HE1  TYR 106           HE1      TYR 106   0.774  -9.107   6.857
  872    HE2  TYR 106           HE2      TYR 106   1.985  -5.883   4.341
  873    HH   TYR 106           HH       TYR 106   1.789  -9.263   4.636
  874    H    THR 107           H        THR 107   1.392  -3.521  10.604
  875    HA   THR 107           HA       THR 107   2.552  -1.602   8.746
  876    HB   THR 107           HB       THR 107   3.343  -2.093  11.618
  877    HG1  THR 107           HG1      THR 107   1.140  -1.552  11.558
  878   1HG2  THR 107          1HG2      THR 107   3.644   0.298   9.801
  879   2HG2  THR 107          3HG2      THR 107   4.119   0.233  11.498
  880   3HG2  THR 107          2HG2      THR 107   4.933  -0.790  10.315
  881    H    LEU 108           H        LEU 108   3.690  -2.884   7.292
  882    HA   LEU 108           HA       LEU 108   5.484  -4.939   8.106
  883   1HB   LEU 108           HB2      LEU 108   4.480  -5.007   5.918
  884   2HB   LEU 108           HB3      LEU 108   5.176  -3.458   5.501
  885    HG   LEU 108           HG       LEU 108   7.413  -4.419   5.497
  886   1HD1  LEU 108          1HD1      LEU 108   7.083  -6.079   7.263
  887   2HD1  LEU 108          3HD1      LEU 108   6.060  -7.025   6.180
  888   3HD1  LEU 108          2HD1      LEU 108   7.770  -6.804   5.808
  889   1HD2  LEU 108          1HD2      LEU 108   6.054  -4.505   3.451
  890   2HD2  LEU 108          3HD2      LEU 108   7.205  -5.837   3.557
  891   3HD2  LEU 108          2HD2      LEU 108   5.499  -6.115   3.909
  892    H    HIS 109           H        HIS 109   6.989  -4.173   9.545
  893    HA   HIS 109           HA       HIS 109   8.539  -1.815   8.998
  894   1HB   HIS 109           HB2      HIS 109   8.524  -3.875  11.150
  895   2HB   HIS 109           HB3      HIS 109   9.901  -2.794  10.990
  896    HD1  HIS 109           HD1      HIS 109   9.666  -0.518  11.997
  897    HD2  HIS 109           HD2      HIS 109   6.026  -2.492  11.657
  898    HE1  HIS 109           HE1      HIS 109   8.001   0.934  13.199
  899    HE2  HIS 109           HE2      HIS 109   5.818  -0.317  13.042
  900    H    LEU 110           H        LEU 110  10.663  -1.685   8.399
  901    HA   LEU 110           HA       LEU 110  12.082  -4.102   7.619
  902   1HB   LEU 110           HB2      LEU 110  11.457  -1.870   5.687
  903   2HB   LEU 110           HB3      LEU 110  12.548  -3.201   5.361
  904    HG   LEU 110           HG       LEU 110   9.591  -3.505   5.905
  905   1HD1  LEU 110          1HD1      LEU 110  11.121  -3.483   3.308
  906   2HD1  LEU 110          3HD1      LEU 110   9.437  -3.980   3.483
  907   3HD1  LEU 110          2HD1      LEU 110   9.907  -2.316   3.834
  908   1HD2  LEU 110          1HD2      LEU 110  11.032  -5.453   6.475
  909   2HD2  LEU 110          3HD2      LEU 110   9.865  -5.772   5.192
  910   3HD2  LEU 110          2HD2      LEU 110  11.559  -5.494   4.792
  911    H    ASN 111           H        ASN 111  13.864  -3.764   8.857
  912    HA   ASN 111           HA       ASN 111  15.087  -1.174   9.103
  913   1HB   ASN 111           HB2      ASN 111  15.200  -2.808  10.950
  914   2HB   ASN 111           HB3      ASN 111  16.109  -3.910   9.921
  915   1HD2  ASN 111          1HD2      ASN 111  17.875  -3.940  11.279
  916   2HD2  ASN 111          2HD2      ASN 111  18.941  -2.591  11.449
  917    H    VAL 112           H        VAL 112  15.130  -1.008   6.706
  918    HA   VAL 112           HA       VAL 112  16.574  -2.538   4.954
  919    HB   VAL 112           HB       VAL 112  16.675   0.454   4.755
  920   1HG1  VAL 112          3HG1      VAL 112  17.742  -0.934   3.024
  921   2HG1  VAL 112          2HG1      VAL 112  16.186  -1.704   2.716
  922   3HG1  VAL 112          1HG1      VAL 112  16.397   0.016   2.393
  923   1HG2  VAL 112          3HG2      VAL 112  14.254  -1.308   4.486
  924   2HG2  VAL 112          2HG2      VAL 112  14.444   0.152   5.456
  925   3HG2  VAL 112          1HG2      VAL 112  14.376   0.265   3.697
  926    H    LYS 113           H        LYS 113  18.649  -3.006   4.661
  927    HA   LYS 113           HA       LYS 113  20.648  -2.019   6.434
  928   1HB   LYS 113           HB2      LYS 113  20.887  -3.721   3.947
  929   2HB   LYS 113           HB3      LYS 113  22.185  -3.431   5.096
  930   1HG   LYS 113           HG2      LYS 113  19.571  -4.778   5.745
  931   2HG   LYS 113           HG3      LYS 113  21.093  -5.608   5.416
  932   1HD   LYS 113           HD2      LYS 113  22.118  -4.517   7.343
  933   2HD   LYS 113           HD3      LYS 113  20.615  -3.648   7.661
  934   1HE   LYS 113           HE2      LYS 113  19.463  -5.767   8.041
  935   2HE   LYS 113           HE3      LYS 113  20.956  -6.644   7.708
  936   1HZ   LYS 113           HZ1      LYS 113  20.549  -4.723   9.935
  937   2HZ   LYS 113           HZ3      LYS 113  20.567  -6.408  10.082
  938   3HZ   LYS 113           HZ2      LYS 113  21.970  -5.584   9.622

  No H/Q in entry =         938
  Start of MODEL   25
    1    H1   GLY  -2           HT1      GLY  -2 -25.729  -7.972   9.787
    2    H2   GLY  -2           HT3      GLY  -2 -26.625  -8.790   8.607
    3    H3   GLY  -2           HT2      GLY  -2 -27.207  -8.688  10.192
    4   1HA   GLY  -2           HA2      GLY  -2 -24.769 -10.143   9.325
    5   2HA   GLY  -2           HA3      GLY  -2 -26.302 -10.885   9.752
    6    H    SER  -1           H        SER  -1 -24.721 -12.035  11.226
    7    HA   SER  -1           HA       SER  -1 -24.826 -10.724  13.830
    8   1HB   SER  -1           HB2      SER  -1 -24.345 -12.972  14.736
    9   2HB   SER  -1           HB3      SER  -1 -25.750 -12.986  13.670
   10    HG   SER  -1           HG       SER  -1 -23.589 -13.439  12.196
   11    H    HIS   0           H        HIS   0 -22.485 -12.357  11.721
   12    HA   HIS   0           HA       HIS   0 -20.365 -10.674  12.700
   13   1HB   HIS   0           HB2      HIS   0 -18.910 -12.556  13.409
   14   2HB   HIS   0           HB3      HIS   0 -20.326 -12.364  14.438
   15    HD1  HIS   0           HD1      HIS   0 -21.985 -14.288  14.531
   16    HD2  HIS   0           HD2      HIS   0 -18.942 -14.873  11.763
   17    HE1  HIS   0           HE1      HIS   0 -22.175 -16.694  13.823
   18    HE2  HIS   0           HE2      HIS   0 -20.374 -17.002  12.087
   19    H    MET   1           H        MET   1 -18.189 -11.512  11.681
   20    HA   MET   1           HA       MET   1 -18.780 -12.348   8.917
   21   1HB   MET   1           HB2      MET   1 -16.658 -10.420   9.876
   22   2HB   MET   1           HB3      MET   1 -16.863 -10.955   8.213
   23   1HG   MET   1           HG2      MET   1 -18.868  -9.392   9.824
   24   2HG   MET   1           HG3      MET   1 -17.812  -8.744   8.570
   25   1HE   MET   1           HE3      MET   1 -19.912  -7.683   7.342
   26   2HE   MET   1           HE2      MET   1 -21.346  -8.601   6.884
   27   3HE   MET   1           HE1      MET   1 -20.979  -8.330   8.588
   28    H    ILE   2           H        ILE   2 -17.138 -13.556   7.821
   29    HA   ILE   2           HA       ILE   2 -15.622 -15.259   9.657
   30    HB   ILE   2           HB       ILE   2 -15.358 -16.771   7.719
   31   1HG1  ILE   2          2HG1      ILE   2 -17.196 -14.830   6.297
   32   2HG1  ILE   2          3HG1      ILE   2 -15.473 -14.997   5.972
   33   1HG2  ILE   2          1HG2      ILE   2 -17.221 -17.061   9.260
   34   2HG2  ILE   2          3HG2      ILE   2 -18.203 -15.955   8.298
   35   3HG2  ILE   2          2HG2      ILE   2 -17.691 -17.500   7.618
   36   1HD1  ILE   2          1HD1      ILE   2 -15.830 -17.307   5.273
   37   2HD1  ILE   2          3HD1      ILE   2 -17.556 -17.132   5.589
   38   3HD1  ILE   2          2HD1      ILE   2 -16.791 -16.176   4.320
   39    H    ALA   3           H        ALA   3 -14.928 -12.473   8.447
   40    HA   ALA   3           HA       ALA   3 -12.740 -12.715   6.743
   41   1HB   ALA   3           HB1      ALA   3 -12.113 -10.475   7.463
   42   2HB   ALA   3           HB2      ALA   3 -13.204 -10.601   8.842
   43   3HB   ALA   3           HB3      ALA   3 -13.854 -10.590   7.203
   44    HA   PRO   4           HA       PRO   4  -9.851 -12.881  10.596
   45   1HB   PRO   4           HB2      PRO   4 -10.915 -13.467  13.006
   46   2HB   PRO   4           HB3      PRO   4 -10.811 -11.811  12.397
   47   1HG   PRO   4           HG2      PRO   4 -13.148 -13.683  12.411
   48   2HG   PRO   4           HG3      PRO   4 -13.097 -11.956  12.810
   49   1HD   PRO   4           HD2      PRO   4 -13.945 -12.899  10.406
   50   2HD   PRO   4           HD3      PRO   4 -13.164 -11.317  10.603
   51    H    LEU   5           H        LEU   5  -9.002 -14.697  11.996
   52    HA   LEU   5           HA       LEU   5 -10.319 -17.262  11.499
   53   1HB   LEU   5           HB2      LEU   5  -8.544 -16.630   9.717
   54   2HB   LEU   5           HB3      LEU   5  -7.376 -16.959  10.982
   55    HG   LEU   5           HG       LEU   5  -9.416 -18.988  10.079
   56   1HD1  LEU   5          3HD1      LEU   5  -6.572 -18.636   9.142
   57   2HD1  LEU   5          2HD1      LEU   5  -7.625 -19.996   8.753
   58   3HD1  LEU   5          1HD1      LEU   5  -8.024 -18.377   8.177
   59   1HD2  LEU   5          1HD2      LEU   5  -6.852 -19.207  11.649
   60   2HD2  LEU   5          3HD2      LEU   5  -8.490 -19.419  12.269
   61   3HD2  LEU   5          2HD2      LEU   5  -7.831 -20.570  11.106
   62    H    SER   6           H        SER   6  -7.206 -16.063  12.769
   63    HA   SER   6           HA       SER   6  -7.905 -16.930  15.442
   64   1HB   SER   6           HB2      SER   6  -5.602 -18.200  13.942
   65   2HB   SER   6           HB3      SER   6  -5.901 -18.381  15.670
   66    HG   SER   6           HG       SER   6  -7.535 -19.685  15.269
   67    H    VAL   7           H        VAL   7  -5.506 -15.594  13.235
   68    HA   VAL   7           HA       VAL   7  -4.680 -13.749  15.368
   69    HB   VAL   7           HB       VAL   7  -2.348 -13.857  14.601
   70   1HG1  VAL   7          2HG1      VAL   7  -3.047 -15.232  16.487
   71   2HG1  VAL   7          1HG1      VAL   7  -3.482 -16.539  15.387
   72   3HG1  VAL   7          3HG1      VAL   7  -1.797 -16.046  15.547
   73   1HG2  VAL   7          3HG2      VAL   7  -3.312 -16.119  12.853
   74   2HG2  VAL   7          2HG2      VAL   7  -2.714 -14.553  12.303
   75   3HG2  VAL   7          1HG2      VAL   7  -1.625 -15.677  13.115
   76    H    LYS   8           H        LYS   8  -4.304 -11.664  14.744
   77    HA   LYS   8           HA       LYS   8  -4.992 -11.007  11.970
   78   1HB   LYS   8           HB2      LYS   8  -5.237  -9.559  14.575
   79   2HB   LYS   8           HB3      LYS   8  -5.155  -8.655  13.077
   80   1HG   LYS   8           HG2      LYS   8  -7.461  -9.021  13.777
   81   2HG   LYS   8           HG3      LYS   8  -7.122  -9.821  12.242
   82   1HD   LYS   8           HD2      LYS   8  -8.378 -11.351  13.561
   83   2HD   LYS   8           HD3      LYS   8  -6.708 -11.929  13.545
   84   1HE   LYS   8           HE2      LYS   8  -6.338 -10.913  15.739
   85   2HE   LYS   8           HE3      LYS   8  -8.003 -10.337  15.756
   86   1HZ   LYS   8           HZ3      LYS   8  -8.757 -12.634  15.692
   87   2HZ   LYS   8           HZ2      LYS   8  -7.157 -13.182  15.687
   88   3HZ   LYS   8           HZ1      LYS   8  -7.765 -12.364  17.037
   89    H    ASP   9           H        ASP   9  -2.445 -11.955  12.623
   90    HA   ASP   9           HA       ASP   9  -0.356 -10.399  13.184
   91   1HB   ASP   9           HB2      ASP   9  -0.213 -12.711  12.253
   92   2HB   ASP   9           HB3      ASP   9  -0.465 -12.035  10.647
   93    H    ASN  10           H        ASN  10   0.161  -8.383  12.736
   94    HA   ASN  10           HA       ASN  10  -0.380  -7.339  10.048
   95   1HB   ASN  10           HB2      ASN  10  -0.436  -5.080  11.422
   96   2HB   ASN  10           HB3      ASN  10  -1.870  -6.074  11.232
   97   1HD2  ASN  10          1HD2      ASN  10  -1.073  -4.129  13.284
   98   2HD2  ASN  10          2HD2      ASN  10  -1.178  -4.981  14.777
   99    H    ASP  11           H        ASP  11   1.176  -5.604  12.606
  100    HA   ASP  11           HA       ASP  11   3.275  -4.619  11.193
  101   1HB   ASP  11           HB2      ASP  11   3.228  -5.330  14.130
  102   2HB   ASP  11           HB3      ASP  11   4.391  -4.255  13.363
  103    H    LYS  12           H        LYS  12   4.529  -5.820   9.950
  104    HA   LYS  12           HA       LYS  12   5.699  -8.288  10.974
  105   1HB   LYS  12           HB2      LYS  12   4.709  -8.485   8.799
  106   2HB   LYS  12           HB3      LYS  12   5.561  -7.061   8.219
  107   1HG   LYS  12           HG2      LYS  12   6.619  -8.981   7.306
  108   2HG   LYS  12           HG3      LYS  12   7.687  -8.285   8.525
  109   1HD   LYS  12           HD2      LYS  12   7.084  -9.967  10.117
  110   2HD   LYS  12           HD3      LYS  12   5.815 -10.583   9.056
  111   1HE   LYS  12           HE2      LYS  12   7.434 -11.349   7.463
  112   2HE   LYS  12           HE3      LYS  12   8.742 -10.575   8.355
  113   1HZ   LYS  12           HZ2      LYS  12   8.331 -12.088  10.196
  114   2HZ   LYS  12           HZ1      LYS  12   7.076 -12.828   9.339
  115   3HZ   LYS  12           HZ3      LYS  12   8.668 -12.949   8.780
  116    H    TRP  13           H        TRP  13   7.270  -7.550  12.369
  117    HA   TRP  13           HA       TRP  13   9.170  -5.539  11.586
  118   1HB   TRP  13           HB2      TRP  13   9.391  -7.272  14.029
  119   2HB   TRP  13           HB3      TRP  13   9.897  -5.605  13.804
  120    HD1  TRP  13           HD1      TRP  13   6.636  -7.647  14.154
  121    HE1  TRP  13           HE1      TRP  13   4.825  -6.121  15.156
  122    HE3  TRP  13           HE3      TRP  13   9.270  -3.266  14.345
  123    HZ2  TRP  13           HZ2      TRP  13   4.528  -3.417  15.914
  124    HZ3  TRP  13           HZ3      TRP  13   8.153  -1.261  15.235
  125    HH2  TRP  13           HH2      TRP  13   5.839  -1.338  16.008
  126    H    VAL  14           H        VAL  14  10.603  -6.133  10.048
  127    HA   VAL  14           HA       VAL  14  12.454  -8.291  10.728
  128    HB   VAL  14           HB       VAL  14  12.306  -9.204   8.364
  129   1HG1  VAL  14          1HG1      VAL  14  11.495 -10.345  10.425
  130   2HG1  VAL  14          3HG1      VAL  14   9.893  -9.687  10.098
  131   3HG1  VAL  14          2HG1      VAL  14  10.639 -10.805   8.955
  132   1HG2  VAL  14          3HG2      VAL  14   9.642  -7.795   8.458
  133   2HG2  VAL  14          2HG2      VAL  14  10.985  -7.426   7.374
  134   3HG2  VAL  14          1HG2      VAL  14  10.139  -8.968   7.238
  135    H    ASP  15           H        ASP  15  13.932  -8.536   8.580
  136    HA   ASP  15           HA       ASP  15  15.071  -5.863   8.204
  137   1HB   ASP  15           HB2      ASP  15  16.137  -8.632   8.321
  138   2HB   ASP  15           HB3      ASP  15  16.990  -7.487   7.286
  139    H    THR  16           H        THR  16  16.383  -5.784   5.997
  140    HA   THR  16           HA       THR  16  15.378  -7.162   3.752
  141    HB   THR  16           HB       THR  16  13.404  -5.619   4.511
  142    HG1  THR  16           HG1      THR  16  12.751  -5.600   2.377
  143   1HG2  THR  16          1HG2      THR  16  14.767  -3.566   4.652
  144   2HG2  THR  16          3HG2      THR  16  15.063  -3.666   2.918
  145   3HG2  THR  16          2HG2      THR  16  13.426  -3.407   3.519
  146    H    HIS  17           H        HIS  17  15.740  -5.620   1.675
  147    HA   HIS  17           HA       HIS  17  18.337  -4.284   2.071
  148   1HB   HIS  17           HB2      HIS  17  17.465  -5.845  -0.370
  149   2HB   HIS  17           HB3      HIS  17  19.030  -5.077  -0.123
  150    HD1  HIS  17           HD1      HIS  17  20.800  -6.438   0.995
  151    HD2  HIS  17           HD2      HIS  17  17.020  -8.114   1.399
  152    HE1  HIS  17           HE1      HIS  17  21.175  -8.694   2.040
  153    HE2  HIS  17           HE2      HIS  17  18.866  -9.656   2.349
  154    H    VAL  18           H        VAL  18  18.615  -3.239  -0.508
  155    HA   VAL  18           HA       VAL  18  16.685  -1.075  -0.347
  156    HB   VAL  18           HB       VAL  18  19.023  -1.357  -2.235
  157   1HG1  VAL  18          1HG1      VAL  18  17.382   1.039  -1.417
  158   2HG1  VAL  18          3HG1      VAL  18  18.819   1.085  -2.440
  159   3HG1  VAL  18          2HG1      VAL  18  17.368   0.250  -2.994
  160   1HG2  VAL  18          2HG2      VAL  18  18.867   0.029   0.439
  161   2HG2  VAL  18          1HG2      VAL  18  19.791  -1.429   0.071
  162   3HG2  VAL  18          3HG2      VAL  18  20.229   0.106  -0.679
  163    H    GLY  19           H        GLY  19  15.139  -0.590  -1.758
  164   1HA   GLY  19           HA3      GLY  19  14.971  -1.391  -4.443
  165   2HA   GLY  19           HA2      GLY  19  13.647  -0.788  -3.470
  166    H    LYS  20           H        LYS  20  14.447  -3.277  -1.660
  167    HA   LYS  20           HA       LYS  20  13.751  -5.566  -3.107
  168   1HB   LYS  20           HB2      LYS  20  14.558  -5.111  -0.568
  169   2HB   LYS  20           HB3      LYS  20  12.859  -5.427  -0.288
  170   1HG   LYS  20           HG2      LYS  20  13.778  -7.517  -0.071
  171   2HG   LYS  20           HG3      LYS  20  13.264  -7.519  -1.762
  172   1HD   LYS  20           HD2      LYS  20  15.440  -7.170  -2.541
  173   2HD   LYS  20           HD3      LYS  20  15.997  -6.632  -0.958
  174   1HE   LYS  20           HE2      LYS  20  15.729  -8.904  -0.089
  175   2HE   LYS  20           HE3      LYS  20  15.149  -9.441  -1.665
  176   1HZ   LYS  20           HZ3      LYS  20  17.296  -8.867  -2.613
  177   2HZ   LYS  20           HZ2      LYS  20  17.854  -8.354  -1.101
  178   3HZ   LYS  20           HZ1      LYS  20  17.478  -9.983  -1.353
  179    H    THR  21           H        THR  21  12.046  -4.902  -4.480
  180    HA   THR  21           HA       THR  21   9.634  -3.767  -3.721
  181    HB   THR  21           HB       THR  21   9.788  -5.836  -5.898
  182    HG1  THR  21           HG1      THR  21  11.579  -4.525  -6.242
  183   1HG2  THR  21          2HG2      THR  21   7.608  -4.807  -5.400
  184   2HG2  THR  21          1HG2      THR  21   8.308  -3.211  -5.664
  185   3HG2  THR  21          3HG2      THR  21   8.193  -4.357  -7.001
  186    H    THR  22           H        THR  22   8.649  -4.550  -1.934
  187    HA   THR  22           HA       THR  22   8.065  -7.411  -1.774
  188    HB   THR  22           HB       THR  22   7.657  -5.207   0.261
  189    HG1  THR  22           HG1      THR  22   9.352  -6.519   1.329
  190   1HG2  THR  22          3HG2      THR  22   7.236  -8.189   0.511
  191   2HG2  THR  22          2HG2      THR  22   7.181  -7.036   1.845
  192   3HG2  THR  22          1HG2      THR  22   5.981  -6.950   0.554
  193    H    GLU  23           H        GLU  23   6.407  -7.867  -3.067
  194    HA   GLU  23           HA       GLU  23   4.105  -6.169  -3.288
  195   1HB   GLU  23           HB2      GLU  23   5.065  -7.506  -5.171
  196   2HB   GLU  23           HB3      GLU  23   4.539  -8.963  -4.339
  197   1HG   GLU  23           HG2      GLU  23   2.256  -8.383  -4.574
  198   2HG   GLU  23           HG3      GLU  23   2.669  -6.755  -5.118
  199    H    ILE  24           H        ILE  24   2.226  -6.364  -2.243
  200    HA   ILE  24           HA       ILE  24   1.728  -8.807  -0.697
  201    HB   ILE  24           HB       ILE  24   1.290  -6.020   0.341
  202   1HG1  ILE  24          2HG1      ILE  24   3.374  -8.077   1.085
  203   2HG1  ILE  24          3HG1      ILE  24   3.675  -6.565   0.238
  204   1HG2  ILE  24          1HG2      ILE  24  -0.339  -7.651   1.150
  205   2HG2  ILE  24          3HG2      ILE  24   0.974  -8.701   1.685
  206   3HG2  ILE  24          2HG2      ILE  24   0.737  -7.127   2.446
  207   1HD1  ILE  24          2HD1      ILE  24   2.926  -5.331   2.223
  208   2HD1  ILE  24          1HD1      ILE  24   2.709  -6.862   3.070
  209   3HD1  ILE  24          3HD1      ILE  24   4.318  -6.364   2.546
  210    H    HIS  25           H        HIS  25   0.062  -9.587  -1.864
  211    HA   HIS  25           HA       HIS  25  -2.103  -7.883  -2.723
  212   1HB   HIS  25           HB2      HIS  25  -2.170 -10.886  -2.750
  213   2HB   HIS  25           HB3      HIS  25  -2.961  -9.760  -3.837
  214    HD1  HIS  25           HD1      HIS  25  -0.209 -12.003  -3.753
  215    HD2  HIS  25           HD2      HIS  25  -0.886  -8.269  -5.443
  216    HE1  HIS  25           HE1      HIS  25   1.518 -11.763  -5.563
  217    HE2  HIS  25           HE2      HIS  25   1.004  -9.552  -6.655
  218    H    LEU  26           H        LEU  26  -3.218  -7.109  -1.019
  219    HA   LEU  26           HA       LEU  26  -3.977  -8.887   1.166
  220   1HB   LEU  26           HB2      LEU  26  -4.496  -5.942   0.809
  221   2HB   LEU  26           HB3      LEU  26  -4.771  -6.866   2.271
  222    HG   LEU  26           HG       LEU  26  -2.016  -6.646   1.093
  223   1HD1  LEU  26          3HD1      LEU  26  -2.834  -4.364   1.336
  224   2HD1  LEU  26          2HD1      LEU  26  -3.315  -4.704   2.999
  225   3HD1  LEU  26          1HD1      LEU  26  -1.608  -4.727   2.550
  226   1HD2  LEU  26          2HD2      LEU  26  -2.589  -8.306   2.904
  227   2HD2  LEU  26          1HD2      LEU  26  -1.283  -7.180   3.281
  228   3HD2  LEU  26          3HD2      LEU  26  -2.892  -6.924   3.960
  229    H    LYS  27           H        LYS  27  -6.142  -9.243   1.752
  230    HA   LYS  27           HA       LYS  27  -8.018  -8.874  -0.475
  231   1HB   LYS  27           HB2      LYS  27  -8.466 -10.696   1.870
  232   2HB   LYS  27           HB3      LYS  27  -9.212 -10.756   0.282
  233   1HG   LYS  27           HG2      LYS  27  -6.984 -11.337  -0.674
  234   2HG   LYS  27           HG3      LYS  27  -6.370 -11.455   0.978
  235   1HD   LYS  27           HD2      LYS  27  -8.020 -13.195   1.471
  236   2HD   LYS  27           HD3      LYS  27  -8.631 -13.083  -0.182
  237   1HE   LYS  27           HE2      LYS  27  -6.438 -13.759  -1.035
  238   2HE   LYS  27           HE3      LYS  27  -5.835 -13.880   0.618
  239   1HZ   LYS  27           HZ1      LYS  27  -8.041 -15.499  -0.535
  240   2HZ   LYS  27           HZ3      LYS  27  -6.462 -16.041  -0.256
  241   3HZ   LYS  27           HZ2      LYS  27  -7.454 -15.618   1.047
  242    H    GLY  28           H        GLY  28 -10.273  -8.426   0.078
  243   1HA   GLY  28           HA3      GLY  28 -10.390  -6.196   1.895
  244   2HA   GLY  28           HA2      GLY  28 -11.312  -7.582   2.443
  245    H    ASN  29           H        ASN  29 -12.487  -5.115   1.899
  246    HA   ASN  29           HA       ASN  29 -13.568  -4.963  -0.716
  247   1HB   ASN  29           HB2      ASN  29 -14.712  -7.030   0.150
  248   2HB   ASN  29           HB3      ASN  29 -15.475  -6.024   1.377
  249   1HD2  ASN  29          1HD2      ASN  29 -17.518  -6.541   0.574
  250   2HD2  ASN  29          2HD2      ASN  29 -18.126  -5.841  -0.883
  251    HA   PRO  30           HA       PRO  30 -14.120  -0.975   1.276
  252   1HB   PRO  30           HB2      PRO  30 -14.860   0.402  -0.934
  253   2HB   PRO  30           HB3      PRO  30 -13.184  -0.058  -0.614
  254   1HG   PRO  30           HG2      PRO  30 -15.203  -1.376  -2.391
  255   2HG   PRO  30           HG3      PRO  30 -13.493  -1.031  -2.708
  256   1HD   PRO  30           HD2      PRO  30 -14.373  -3.482  -1.959
  257   2HD   PRO  30           HD3      PRO  30 -12.772  -2.862  -1.507
  258    H    THR  31           H        THR  31 -16.509  -2.550  -0.770
  259    HA   THR  31           HA       THR  31 -18.664  -0.844   0.113
  260    HB   THR  31           HB       THR  31 -20.114  -2.351  -1.195
  261    HG1  THR  31           HG1      THR  31 -19.028  -4.315  -0.925
  262   1HG2  THR  31          2HG2      THR  31 -19.001  -0.491  -2.326
  263   2HG2  THR  31          1HG2      THR  31 -17.602  -1.515  -2.648
  264   3HG2  THR  31          3HG2      THR  31 -19.154  -1.879  -3.403
  265    H    THR  32           H        THR  32 -17.030  -2.768   1.921
  266    HA   THR  32           HA       THR  32 -19.383  -3.810   3.331
  267    HB   THR  32           HB       THR  32 -16.872  -5.354   2.700
  268    HG1  THR  32           HG1      THR  32 -19.187  -6.689   2.426
  269   1HG2  THR  32          2HG2      THR  32 -19.025  -6.027   4.710
  270   2HG2  THR  32          1HG2      THR  32 -17.755  -7.127   4.171
  271   3HG2  THR  32          3HG2      THR  32 -17.334  -5.667   5.066
  272    H    GLY  33           H        GLY  33 -15.829  -3.575   3.713
  273   1HA   GLY  33           HA3      GLY  33 -14.926  -3.529   5.991
  274   2HA   GLY  33           HA2      GLY  33 -16.332  -2.582   6.448
  275    H    TYR  34           H        TYR  34 -13.134  -2.406   5.859
  276    HA   TYR  34           HA       TYR  34 -13.291   0.457   5.188
  277   1HB   TYR  34           HB2      TYR  34 -11.193  -1.007   6.807
  278   2HB   TYR  34           HB3      TYR  34 -11.189   0.714   6.455
  279    HD1  TYR  34           HD1      TYR  34 -13.725  -1.713   7.782
  280    HD2  TYR  34           HD2      TYR  34 -11.700   1.998   8.300
  281    HE1  TYR  34           HE1      TYR  34 -15.020  -1.295   9.828
  282    HE2  TYR  34           HE2      TYR  34 -12.994   2.423  10.343
  283    HH   TYR  34           HH       TYR  34 -15.121   1.735  11.355
  284    H    MET  35           H        MET  35 -10.660   0.979   4.680
  285    HA   MET  35           HA       MET  35 -10.151  -0.523   2.221
  286   1HB   MET  35           HB2      MET  35 -10.447   1.713   1.599
  287   2HB   MET  35           HB3      MET  35  -9.670   2.319   3.058
  288   1HG   MET  35           HG2      MET  35  -7.513   1.453   2.203
  289   2HG   MET  35           HG3      MET  35  -8.333   1.022   0.713
  290   1HE   MET  35           HE1      MET  35 -10.230   3.157  -0.069
  291   2HE   MET  35           HE3      MET  35  -9.282   4.413  -0.864
  292   3HE   MET  35           HE2      MET  35  -8.957   2.715  -1.206
  293    H    TRP  36           H        TRP  36  -8.015  -1.075   1.711
  294    HA   TRP  36           HA       TRP  36  -6.222  -1.201   4.037
  295   1HB   TRP  36           HB2      TRP  36  -6.916  -3.117   1.927
  296   2HB   TRP  36           HB3      TRP  36  -5.194  -2.971   2.234
  297    HD1  TRP  36           HD1      TRP  36  -7.928  -5.042   3.255
  298    HE1  TRP  36           HE1      TRP  36  -7.560  -6.074   5.586
  299    HE3  TRP  36           HE3      TRP  36  -4.125  -2.044   4.870
  300    HZ2  TRP  36           HZ2      TRP  36  -5.874  -5.664   7.816
  301    HZ3  TRP  36           HZ3      TRP  36  -3.187  -2.425   7.106
  302    HH2  TRP  36           HH2      TRP  36  -4.048  -4.197   8.551
  303    H    THR  37           H        THR  37  -5.374   0.873   3.667
  304    HA   THR  37           HA       THR  37  -3.506   0.985   1.390
  305    HB   THR  37           HB       THR  37  -5.526   2.401   0.950
  306    HG1  THR  37           HG1      THR  37  -4.082   4.411   0.719
  307   1HG2  THR  37          2HG2      THR  37  -5.949   3.059   3.281
  308   2HG2  THR  37          1HG2      THR  37  -4.465   4.012   3.274
  309   3HG2  THR  37          3HG2      THR  37  -5.807   4.460   2.220
  310    H    ARG  38           H        ARG  38  -2.295   3.440   2.002
  311    HA   ARG  38           HA       ARG  38  -0.899   2.720   4.459
  312   1HB   ARG  38           HB2      ARG  38  -0.224   4.354   2.061
  313   2HB   ARG  38           HB3      ARG  38   0.534   4.778   3.578
  314   1HG   ARG  38           HG2      ARG  38   1.546   2.650   3.771
  315   2HG   ARG  38           HG3      ARG  38   0.642   2.045   2.380
  316   1HD   ARG  38           HD2      ARG  38   3.078   2.793   2.043
  317   2HD   ARG  38           HD3      ARG  38   1.890   3.285   0.873
  318    HE   ARG  38           HE       ARG  38   1.952   5.483   1.849
  319   1HH1  ARG  38          1HH1      ARG  38   4.408   3.271   2.952
  320   2HH1  ARG  38          2HH1      ARG  38   5.525   4.521   3.386
  321   1HH2  ARG  38          1HH2      ARG  38   3.434   7.139   2.400
  322   2HH2  ARG  38          2HH2      ARG  38   4.972   6.716   3.073
  323    H    VAL  39           H        VAL  39  -1.308   3.693   6.312
  324    HA   VAL  39           HA       VAL  39  -3.261   5.604   6.715
  325    HB   VAL  39           HB       VAL  39  -2.540   4.311   8.575
  326   1HG1  VAL  39          3HG1      VAL  39  -0.229   3.969   7.776
  327   2HG1  VAL  39          2HG1      VAL  39   0.173   5.594   8.330
  328   3HG1  VAL  39          1HG1      VAL  39  -0.314   4.362   9.494
  329   1HG2  VAL  39          1HG2      VAL  39  -3.312   6.567   9.125
  330   2HG2  VAL  39          3HG2      VAL  39  -2.110   5.994  10.281
  331   3HG2  VAL  39          2HG2      VAL  39  -1.653   7.157   9.036
  332    H    GLY  40           H        GLY  40  -3.330   7.806   6.841
  333   1HA   GLY  40           HA3      GLY  40  -0.908   9.389   6.741
  334   2HA   GLY  40           HA2      GLY  40  -2.555  10.001   6.802
  335    H    PHE  41           H        PHE  41  -2.393   7.679   4.465
  336    HA   PHE  41           HA       PHE  41  -2.080   9.689   2.340
  337   1HB   PHE  41           HB2      PHE  41  -1.105   6.831   2.180
  338   2HB   PHE  41           HB3      PHE  41  -0.877   8.094   0.976
  339    HD1  PHE  41           HD1      PHE  41   0.443   6.499   3.849
  340    HD2  PHE  41           HD2      PHE  41   0.478  10.150   1.677
  341    HE1  PHE  41           HE1      PHE  41   2.532   7.145   4.983
  342    HE2  PHE  41           HE2      PHE  41   2.571  10.804   2.793
  343    HZ   PHE  41           HZ       PHE  41   3.599   9.301   4.452
  344    H    VAL  42           H        VAL  42  -4.096   7.752   3.892
  345    HA   VAL  42           HA       VAL  42  -5.452   6.175   2.086
  346    HB   VAL  42           HB       VAL  42  -6.804   7.833   4.214
  347   1HG1  VAL  42          3HG1      VAL  42  -8.244   6.574   2.631
  348   2HG1  VAL  42          2HG1      VAL  42  -7.460   5.088   3.165
  349   3HG1  VAL  42          1HG1      VAL  42  -8.401   6.048   4.307
  350   1HG2  VAL  42          1HG2      VAL  42  -4.700   6.624   4.961
  351   2HG2  VAL  42          3HG2      VAL  42  -6.182   6.269   5.845
  352   3HG2  VAL  42          2HG2      VAL  42  -5.579   5.129   4.644
  353    H    GLY  43           H        GLY  43  -6.392   6.610   0.219
  354   1HA   GLY  43           HA3      GLY  43  -7.689   9.240  -0.132
  355   2HA   GLY  43           HA2      GLY  43  -8.202   7.763  -0.937
  356    H    LYS  44           H        LYS  44  -4.828   8.407  -0.626
  357    HA   LYS  44           HA       LYS  44  -4.501   9.791  -3.097
  358   1HB   LYS  44           HB2      LYS  44  -2.500   8.351  -1.346
  359   2HB   LYS  44           HB3      LYS  44  -2.092   9.397  -2.696
  360   1HG   LYS  44           HG2      LYS  44  -3.211  11.271  -1.533
  361   2HG   LYS  44           HG3      LYS  44  -3.478  10.204  -0.151
  362   1HD   LYS  44           HD2      LYS  44  -1.110   9.941   0.173
  363   2HD   LYS  44           HD3      LYS  44  -0.767  10.839  -1.307
  364   1HE   LYS  44           HE2      LYS  44  -0.428  12.229   0.672
  365   2HE   LYS  44           HE3      LYS  44  -1.740  12.847  -0.332
  366   1HZ   LYS  44           HZ3      LYS  44  -3.320  11.774   1.175
  367   2HZ   LYS  44           HZ2      LYS  44  -2.043  11.255   2.156
  368   3HZ   LYS  44           HZ1      LYS  44  -2.357  12.907   1.982
  369    H    ASP  45           H        ASP  45  -2.247   8.379  -4.139
  370    HA   ASP  45           HA       ASP  45  -3.558   5.961  -5.194
  371   1HB   ASP  45           HB2      ASP  45  -3.463   7.836  -6.829
  372   2HB   ASP  45           HB3      ASP  45  -1.708   7.813  -6.704
  373    H    VAL  46           H        VAL  46  -0.370   7.511  -4.934
  374    HA   VAL  46           HA       VAL  46   0.968   4.947  -5.023
  375    HB   VAL  46           HB       VAL  46   2.221   7.631  -4.470
  376   1HG1  VAL  46          1HG1      VAL  46   3.566   5.612  -3.985
  377   2HG1  VAL  46          3HG1      VAL  46   3.378   5.116  -5.666
  378   3HG1  VAL  46          2HG1      VAL  46   4.245   6.601  -5.276
  379   1HG2  VAL  46          2HG2      VAL  46   0.914   7.726  -6.536
  380   2HG2  VAL  46          1HG2      VAL  46   2.648   7.800  -6.855
  381   3HG2  VAL  46          3HG2      VAL  46   1.764   6.300  -7.134
  382    H    LEU  47           H        LEU  47   0.360   7.478  -2.645
  383    HA   LEU  47           HA       LEU  47   0.329   7.425  -0.374
  384   1HB   LEU  47           HB2      LEU  47   1.290   4.601  -0.341
  385   2HB   LEU  47           HB3      LEU  47   0.280   5.437   0.814
  386    HG   LEU  47           HG       LEU  47  -0.631   4.678  -1.957
  387   1HD1  LEU  47          1HD1      LEU  47  -1.048   3.257   0.666
  388   2HD1  LEU  47          3HD1      LEU  47  -1.907   2.891  -0.830
  389   3HD1  LEU  47          2HD1      LEU  47  -0.161   2.658  -0.736
  390   1HD2  LEU  47          3HD2      LEU  47  -2.132   5.634   0.476
  391   2HD2  LEU  47          2HD2      LEU  47  -1.852   6.546  -1.007
  392   3HD2  LEU  47          1HD2      LEU  47  -2.867   5.103  -1.036
  393    H    SER  48           H        SER  48   3.009   5.692  -1.866
  394    HA   SER  48           HA       SER  48   5.017   5.947  -0.037
  395   1HB   SER  48           HB2      SER  48   5.244   4.777  -2.185
  396   2HB   SER  48           HB3      SER  48   5.244   6.323  -3.030
  397    HG   SER  48           HG       SER  48   7.337   6.028  -2.788
  398    H    ASP  49           H        ASP  49   7.077   7.404  -0.560
  399    HA   ASP  49           HA       ASP  49   6.397  10.160  -1.135
  400   1HB   ASP  49           HB2      ASP  49   7.283   9.280   1.613
  401   2HB   ASP  49           HB3      ASP  49   7.381  10.946   1.051
  402    H    GLU  50           H        GLU  50   9.037   9.155   0.932
  403    HA   GLU  50           HA       GLU  50  10.914   9.381  -1.309
  404   1HB   GLU  50           HB2      GLU  50  12.343  10.847  -0.038
  405   2HB   GLU  50           HB3      GLU  50  10.725  11.539  -0.101
  406   1HG   GLU  50           HG2      GLU  50  10.271  10.761   2.145
  407   2HG   GLU  50           HG3      GLU  50  11.862  10.006   2.224
  408    H    ILE  51           H        ILE  51  10.180   8.196   1.895
  409    HA   ILE  51           HA       ILE  51  12.659   6.850   2.328
  410    HB   ILE  51           HB       ILE  51  10.007   6.220   3.613
  411   1HG1  ILE  51          2HG1      ILE  51  10.533   8.652   3.700
  412   2HG1  ILE  51          3HG1      ILE  51  10.498   7.884   5.281
  413   1HG2  ILE  51          3HG2      ILE  51  12.854   5.856   4.535
  414   2HG2  ILE  51          2HG2      ILE  51  11.421   5.540   5.516
  415   3HG2  ILE  51          1HG2      ILE  51  11.724   4.585   4.064
  416   1HD1  ILE  51          3HD1      ILE  51  12.991   8.506   3.716
  417   2HD1  ILE  51          2HD1      ILE  51  12.346   9.479   5.038
  418   3HD1  ILE  51          1HD1      ILE  51  12.914   7.838   5.347
  419    H    LEU  52           H        LEU  52   9.453   5.361   2.131
  420    HA   LEU  52           HA       LEU  52  10.663   3.090   0.711
  421   1HB   LEU  52           HB2      LEU  52   8.377   3.400   2.581
  422   2HB   LEU  52           HB3      LEU  52   8.243   2.162   1.348
  423    HG   LEU  52           HG       LEU  52  10.572   2.340   3.244
  424   1HD1  LEU  52          1HD1      LEU  52   8.049   0.711   3.495
  425   2HD1  LEU  52          3HD1      LEU  52   9.483   0.541   4.509
  426   3HD1  LEU  52          2HD1      LEU  52   8.549   2.036   4.547
  427   1HD2  LEU  52          1HD2      LEU  52  10.853   1.092   1.108
  428   2HD2  LEU  52          3HD2      LEU  52  11.032   0.098   2.553
  429   3HD2  LEU  52          2HD2      LEU  52   9.541   0.029   1.614
  430    H    GLU  53           H        GLU  53  10.422   3.143  -1.443
  431    HA   GLU  53           HA       GLU  53   8.445   4.647  -2.792
  432   1HB   GLU  53           HB2      GLU  53  10.645   2.875  -3.496
  433   2HB   GLU  53           HB3      GLU  53   9.266   2.665  -4.565
  434   1HG   GLU  53           HG2      GLU  53   9.998   5.443  -4.019
  435   2HG   GLU  53           HG3      GLU  53  11.212   4.505  -4.887
  436    H    VAL  54           H        VAL  54   6.637   3.813  -1.451
  437    HA   VAL  54           HA       VAL  54   5.749   1.126  -1.838
  438    HB   VAL  54           HB       VAL  54   4.070   3.394  -0.804
  439   1HG1  VAL  54          2HG1      VAL  54   4.034   0.413  -0.377
  440   2HG1  VAL  54          1HG1      VAL  54   2.995   1.562   0.462
  441   3HG1  VAL  54          3HG1      VAL  54   2.862   1.368  -1.284
  442   1HG2  VAL  54          2HG2      VAL  54   6.243   1.849   0.555
  443   2HG2  VAL  54          1HG2      VAL  54   5.928   3.582   0.576
  444   3HG2  VAL  54          3HG2      VAL  54   4.877   2.484   1.470
  445    H    VAL  55           H        VAL  55   5.626   0.998  -4.142
  446    HA   VAL  55           HA       VAL  55   3.684   2.616  -5.519
  447    HB   VAL  55           HB       VAL  55   4.951   0.068  -6.502
  448   1HG1  VAL  55          1HG1      VAL  55   2.920   1.078  -7.651
  449   2HG1  VAL  55          3HG1      VAL  55   3.982   2.409  -8.115
  450   3HG1  VAL  55          2HG1      VAL  55   4.333   0.768  -8.662
  451   1HG2  VAL  55          1HG2      VAL  55   5.971   2.898  -6.753
  452   2HG2  VAL  55          3HG2      VAL  55   6.718   1.596  -5.828
  453   3HG2  VAL  55          2HG2      VAL  55   6.641   1.496  -7.587
  454    H    CYS  56           H        CYS  56   1.894   2.195  -4.209
  455    HA   CYS  56           HA       CYS  56   0.825  -0.518  -4.167
  456   1HB   CYS  56           HB2      CYS  56   0.788   0.615  -2.043
  457   2HB   CYS  56           HB3      CYS  56  -0.027   2.008  -2.747
  458    HG   CYS  56           HG       CYS  56  -2.019   0.893  -1.336
  459    H    LYS  57           H        LYS  57  -1.174  -1.071  -4.968
  460    HA   LYS  57           HA       LYS  57  -2.595   0.916  -6.574
  461   1HB   LYS  57           HB2      LYS  57  -2.049  -1.837  -7.646
  462   2HB   LYS  57           HB3      LYS  57  -2.682  -0.445  -8.506
  463   1HG   LYS  57           HG2      LYS  57  -0.521   0.667  -8.328
  464   2HG   LYS  57           HG3      LYS  57   0.123  -0.720  -7.447
  465   1HD   LYS  57           HD2      LYS  57  -0.317  -2.149  -9.397
  466   2HD   LYS  57           HD3      LYS  57  -0.922  -0.744 -10.277
  467   1HE   LYS  57           HE2      LYS  57   1.381  -1.234 -10.898
  468   2HE   LYS  57           HE3      LYS  57   1.265   0.326 -10.084
  469   1HZ   LYS  57           HZ1      LYS  57   2.136  -2.220  -8.824
  470   2HZ   LYS  57           HZ3      LYS  57   3.152  -0.947  -9.286
  471   3HZ   LYS  57           HZ2      LYS  57   2.026  -0.724  -8.045
  472    H    TYR  58           H        TYR  58  -4.547   0.954  -5.777
  473    HA   TYR  58           HA       TYR  58  -5.706  -1.359  -4.475
  474   1HB   TYR  58           HB2      TYR  58  -5.934   0.991  -3.573
  475   2HB   TYR  58           HB3      TYR  58  -6.960   1.357  -4.957
  476    HD1  TYR  58           HD1      TYR  58  -7.339   1.200  -1.743
  477    HD2  TYR  58           HD2      TYR  58  -8.614  -1.124  -5.087
  478    HE1  TYR  58           HE1      TYR  58  -9.323   0.452  -0.490
  479    HE2  TYR  58           HE2      TYR  58 -10.570  -1.890  -3.833
  480    HH   TYR  58           HH       TYR  58 -11.567  -0.429  -0.930
  481    H    THR  59           H        THR  59  -6.413  -2.883  -5.840
  482    HA   THR  59           HA       THR  59  -7.827  -2.071  -8.280
  483    HB   THR  59           HB       THR  59  -6.818  -4.819  -7.519
  484    HG1  THR  59           HG1      THR  59  -5.045  -4.345  -8.768
  485   1HG2  THR  59          1HG2      THR  59  -7.796  -3.705 -10.153
  486   2HG2  THR  59          3HG2      THR  59  -7.127  -5.318  -9.905
  487   3HG2  THR  59          2HG2      THR  59  -8.648  -4.866  -9.135
  488    HA   PRO  60           HA       PRO  60 -11.483  -3.621  -6.149
  489   1HB   PRO  60           HB2      PRO  60 -13.150  -1.740  -7.005
  490   2HB   PRO  60           HB3      PRO  60 -11.889  -1.341  -5.836
  491   1HG   PRO  60           HG2      PRO  60 -12.063  -0.704  -8.727
  492   2HG   PRO  60           HG3      PRO  60 -11.242   0.180  -7.430
  493   1HD   PRO  60           HD2      PRO  60 -10.115  -1.678  -9.296
  494   2HD   PRO  60           HD3      PRO  60  -9.294  -0.804  -7.987
  495    H    THR  61           H        THR  61 -11.794  -5.556  -7.309
  496    HA   THR  61           HA       THR  61 -13.236  -5.267  -9.864
  497    HB   THR  61           HB       THR  61 -11.820  -7.812  -9.230
  498    HG1  THR  61           HG1      THR  61 -10.074  -6.554  -8.962
  499   1HG2  THR  61          3HG2      THR  61 -12.281  -6.263 -11.780
  500   2HG2  THR  61          2HG2      THR  61 -11.524  -7.852 -11.664
  501   3HG2  THR  61          1HG2      THR  61 -13.219  -7.650 -11.225
  502    HA   PRO  62           HA       PRO  62 -16.611  -7.266  -7.768
  503   1HB   PRO  62           HB2      PRO  62 -18.064  -7.951  -9.960
  504   2HB   PRO  62           HB3      PRO  62 -17.978  -6.297  -9.343
  505   1HG   PRO  62           HG2      PRO  62 -16.446  -7.561 -11.590
  506   2HG   PRO  62           HG3      PRO  62 -17.244  -5.978 -11.537
  507   1HD   PRO  62           HD2      PRO  62 -14.588  -6.257 -11.186
  508   2HD   PRO  62           HD3      PRO  62 -15.525  -5.021 -10.321
  509    H    SER  63           H        SER  63 -17.661  -9.354  -7.628
  510    HA   SER  63           HA       SER  63 -15.829 -11.522  -8.126
  511   1HB   SER  63           HB2      SER  63 -18.591 -11.534  -6.879
  512   2HB   SER  63           HB3      SER  63 -17.455 -12.884  -6.871
  513    HG   SER  63           HG       SER  63 -17.349 -11.692  -4.932
  514    H    SER  64           H        SER  64 -17.562 -13.659  -8.562
  515    HA   SER  64           HA       SER  64 -18.316 -13.166 -11.354
  516   1HB   SER  64           HB2      SER  64 -17.739 -15.771  -9.924
  517   2HB   SER  64           HB3      SER  64 -18.150 -15.616 -11.632
  518    HG   SER  64           HG       SER  64 -15.771 -15.533 -10.626
  519    H    THR  65           H        THR  65 -19.786 -13.242  -8.432
  520    HA   THR  65           HA       THR  65 -22.169 -14.665  -9.371
  521    HB   THR  65           HB       THR  65 -22.984 -14.422  -7.036
  522    HG1  THR  65           HG1      THR  65 -20.516 -13.826  -6.002
  523   1HG2  THR  65          2HG2      THR  65 -20.265 -15.708  -7.322
  524   2HG2  THR  65          1HG2      THR  65 -21.434 -16.054  -6.048
  525   3HG2  THR  65          3HG2      THR  65 -21.812 -16.453  -7.724
  526    HA   PRO  66           HA       PRO  66 -24.398 -10.895 -10.017
  527   1HB   PRO  66           HB2      PRO  66 -26.925 -11.736  -9.789
  528   2HB   PRO  66           HB3      PRO  66 -25.886 -12.324 -11.095
  529   1HG   PRO  66           HG2      PRO  66 -26.540 -13.630  -8.468
  530   2HG   PRO  66           HG3      PRO  66 -26.576 -14.337 -10.095
  531   1HD   PRO  66           HD2      PRO  66 -24.488 -14.659  -8.389
  532   2HD   PRO  66           HD3      PRO  66 -24.286 -14.607 -10.152
  533    H    MET  67           H        MET  67 -23.460 -11.392  -7.251
  534    HA   MET  67           HA       MET  67 -25.378  -9.653  -5.897
  535   1HB   MET  67           HB2      MET  67 -24.333 -12.230  -4.709
  536   2HB   MET  67           HB3      MET  67 -25.250 -11.015  -3.830
  537   1HG   MET  67           HG2      MET  67 -27.161 -11.389  -5.296
  538   2HG   MET  67           HG3      MET  67 -26.241 -12.594  -6.194
  539   1HE   MET  67           HE1      MET  67 -28.171 -14.366  -5.859
  540   2HE   MET  67           HE3      MET  67 -28.854 -14.791  -4.290
  541   3HE   MET  67           HE2      MET  67 -29.121 -13.182  -4.961
  542    H    VAL  68           H        VAL  68 -22.820  -9.155  -7.061
  543    HA   VAL  68           HA       VAL  68 -21.323  -8.387  -4.645
  544    HB   VAL  68           HB       VAL  68 -20.218 -10.291  -5.781
  545   1HG1  VAL  68          3HG1      VAL  68 -20.966  -9.733  -8.068
  546   2HG1  VAL  68          2HG1      VAL  68 -19.844  -8.373  -8.078
  547   3HG1  VAL  68          1HG1      VAL  68 -19.229 -10.022  -7.967
  548   1HG2  VAL  68          2HG2      VAL  68 -18.723  -7.672  -5.916
  549   2HG2  VAL  68          1HG2      VAL  68 -18.880  -8.716  -4.503
  550   3HG2  VAL  68          3HG2      VAL  68 -17.983  -9.273  -5.915
  551    H    GLY  69           H        GLY  69 -20.160  -6.431  -4.771
  552   1HA   GLY  69           HA3      GLY  69 -20.424  -4.134  -5.267
  553   2HA   GLY  69           HA2      GLY  69 -21.231  -4.574  -6.765
  554    H    VAL  70           H        VAL  70 -18.201  -3.944  -5.218
  555    HA   VAL  70           HA       VAL  70 -16.593  -4.743  -7.464
  556    HB   VAL  70           HB       VAL  70 -17.479  -2.689  -8.358
  557   1HG1  VAL  70          2HG1      VAL  70 -18.081  -1.647  -6.196
  558   2HG1  VAL  70          1HG1      VAL  70 -16.378  -1.261  -5.947
  559   3HG1  VAL  70          3HG1      VAL  70 -17.254  -0.547  -7.300
  560   1HG2  VAL  70          3HG2      VAL  70 -14.622  -2.424  -7.442
  561   2HG2  VAL  70          2HG2      VAL  70 -15.198  -3.156  -8.938
  562   3HG2  VAL  70          1HG2      VAL  70 -15.366  -1.419  -8.685
  563    H    GLY  71           H        GLY  71 -15.490  -5.924  -5.864
  564   1HA   GLY  71           HA3      GLY  71 -14.534  -5.541  -3.490
  565   2HA   GLY  71           HA2      GLY  71 -13.622  -4.280  -4.302
  566    H    GLY  72           H        GLY  72 -11.662  -4.817  -4.975
  567   1HA   GLY  72           HA3      GLY  72 -10.206  -6.231  -6.270
  568   2HA   GLY  72           HA2      GLY  72 -11.131  -7.616  -5.724
  569    H    ILE  73           H        ILE  73  -8.330  -5.908  -5.311
  570    HA   ILE  73           HA       ILE  73  -7.989  -6.680  -2.516
  571    HB   ILE  73           HB       ILE  73  -5.755  -7.622  -3.011
  572   1HG1  ILE  73          2HG1      ILE  73  -6.551  -8.044  -5.848
  573   2HG1  ILE  73          3HG1      ILE  73  -5.808  -6.513  -5.385
  574   1HG2  ILE  73          1HG2      ILE  73  -7.750  -9.028  -2.622
  575   2HG2  ILE  73          3HG2      ILE  73  -7.939  -9.157  -4.372
  576   3HG2  ILE  73          2HG2      ILE  73  -6.492  -9.799  -3.589
  577   1HD1  ILE  73          2HD1      ILE  73  -3.908  -7.767  -4.437
  578   2HD1  ILE  73          1HD1      ILE  73  -4.639  -9.261  -5.023
  579   3HD1  ILE  73          3HD1      ILE  73  -4.116  -8.027  -6.172
  580    H    TYR  74           H        TYR  74  -5.337  -6.179  -2.232
  581    HA   TYR  74           HA       TYR  74  -4.911  -3.441  -3.192
  582   1HB   TYR  74           HB2      TYR  74  -4.209  -4.136  -0.366
  583   2HB   TYR  74           HB3      TYR  74  -4.595  -2.568  -1.065
  584    HD1  TYR  74           HD1      TYR  74  -6.102  -5.783   0.031
  585    HD2  TYR  74           HD2      TYR  74  -6.790  -1.706  -0.962
  586    HE1  TYR  74           HE1      TYR  74  -8.387  -5.967   0.894
  587    HE2  TYR  74           HE2      TYR  74  -9.085  -1.889  -0.092
  588    HH   TYR  74           HH       TYR  74 -10.767  -3.629   0.317
  589    H    VAL  75           H        VAL  75  -3.225  -4.026  -4.552
  590    HA   VAL  75           HA       VAL  75  -1.098  -5.705  -3.523
  591    HB   VAL  75           HB       VAL  75  -1.837  -6.095  -5.823
  592   1HG1  VAL  75          1HG1      VAL  75  -2.448  -3.760  -6.357
  593   2HG1  VAL  75          3HG1      VAL  75  -0.731  -3.367  -6.458
  594   3HG1  VAL  75          2HG1      VAL  75  -1.441  -4.515  -7.592
  595   1HG2  VAL  75          1HG2      VAL  75   0.448  -6.653  -5.214
  596   2HG2  VAL  75          3HG2      VAL  75   0.368  -6.110  -6.890
  597   3HG2  VAL  75          2HG2      VAL  75   0.975  -5.025  -5.639
  598    H    VAL  76           H        VAL  76   0.388  -4.827  -2.325
  599    HA   VAL  76           HA       VAL  76   1.188  -2.039  -2.824
  600    HB   VAL  76           HB       VAL  76   1.608  -3.671  -0.321
  601   1HG1  VAL  76          1HG1      VAL  76   1.981  -0.741  -0.921
  602   2HG1  VAL  76          3HG1      VAL  76   2.046  -1.448   0.692
  603   3HG1  VAL  76          2HG1      VAL  76   3.235  -1.915  -0.524
  604   1HG2  VAL  76          1HG2      VAL  76  -0.772  -3.307  -0.747
  605   2HG2  VAL  76          3HG2      VAL  76  -0.221  -2.376   0.645
  606   3HG2  VAL  76          2HG2      VAL  76  -0.483  -1.575  -0.902
  607    H    LEU  77           H        LEU  77   3.114  -1.678  -3.711
  608    HA   LEU  77           HA       LEU  77   5.202  -3.740  -3.475
  609   1HB   LEU  77           HB2      LEU  77   4.804  -1.555  -5.518
  610   2HB   LEU  77           HB3      LEU  77   6.261  -2.528  -5.418
  611    HG   LEU  77           HG       LEU  77   3.473  -3.563  -5.988
  612   1HD1  LEU  77          1HD1      LEU  77   5.870  -3.244  -7.788
  613   2HD1  LEU  77          3HD1      LEU  77   4.342  -4.006  -8.229
  614   3HD1  LEU  77          2HD1      LEU  77   4.391  -2.285  -7.845
  615   1HD2  LEU  77          1HD2      LEU  77   5.187  -5.038  -4.726
  616   2HD2  LEU  77          3HD2      LEU  77   4.339  -5.701  -6.125
  617   3HD2  LEU  77          2HD2      LEU  77   5.998  -5.130  -6.291
  618    H    VAL  78           H        VAL  78   6.298  -3.209  -1.650
  619    HA   VAL  78           HA       VAL  78   6.981  -0.402  -1.209
  620    HB   VAL  78           HB       VAL  78   8.048  -2.139   0.808
  621   1HG1  VAL  78          3HG1      VAL  78   7.545   0.237   1.102
  622   2HG1  VAL  78          2HG1      VAL  78   5.824  -0.083   0.855
  623   3HG1  VAL  78          1HG1      VAL  78   6.655  -0.738   2.269
  624   1HG2  VAL  78          3HG2      VAL  78   6.336  -3.721   0.110
  625   2HG2  VAL  78          2HG2      VAL  78   5.962  -3.049   1.696
  626   3HG2  VAL  78          1HG2      VAL  78   5.103  -2.470   0.269
  627    H    LYS  79           H        LYS  79   8.704   0.236  -2.307
  628    HA   LYS  79           HA       LYS  79  11.044  -1.536  -2.445
  629   1HB   LYS  79           HB2      LYS  79   9.934   0.542  -4.266
  630   2HB   LYS  79           HB3      LYS  79  11.678   0.319  -4.239
  631   1HG   LYS  79           HG2      LYS  79  11.348  -2.076  -4.729
  632   2HG   LYS  79           HG3      LYS  79   9.602  -1.780  -4.864
  633   1HD   LYS  79           HD2      LYS  79  11.724  -0.430  -6.540
  634   2HD   LYS  79           HD3      LYS  79  10.767  -1.821  -7.055
  635   1HE   LYS  79           HE2      LYS  79   8.718  -0.504  -6.785
  636   2HE   LYS  79           HE3      LYS  79   9.681   0.887  -6.291
  637   1HZ   LYS  79           HZ1      LYS  79   9.820  -0.454  -8.937
  638   2HZ   LYS  79           HZ3      LYS  79   9.059   1.024  -8.619
  639   3HZ   LYS  79           HZ2      LYS  79  10.738   0.885  -8.461
  640    HA   PRO  80           HA       PRO  80  12.586   1.266   0.799
  641   1HB   PRO  80           HB2      PRO  80  14.969  -0.428   0.213
  642   2HB   PRO  80           HB3      PRO  80  14.267   0.030   1.769
  643   1HG   PRO  80           HG2      PRO  80  13.898  -2.412   0.771
  644   2HG   PRO  80           HG3      PRO  80  12.610  -1.574   1.648
  645   1HD   PRO  80           HD2      PRO  80  12.907  -2.062  -1.272
  646   2HD   PRO  80           HD3      PRO  80  11.437  -1.958  -0.284
  647    H    ARG  81           H        ARG  81  12.712   3.184  -0.353
  648    HA   ARG  81           HA       ARG  81  14.485   3.653  -2.503
  649   1HB   ARG  81           HB2      ARG  81  12.503   5.106  -1.041
  650   2HB   ARG  81           HB3      ARG  81  13.948   6.097  -1.170
  651   1HG   ARG  81           HG2      ARG  81  13.916   5.883  -3.575
  652   2HG   ARG  81           HG3      ARG  81  12.537   4.784  -3.479
  653   1HD   ARG  81           HD2      ARG  81  11.170   6.548  -2.520
  654   2HD   ARG  81           HD3      ARG  81  12.547   7.651  -2.542
  655    HE   ARG  81           HE       ARG  81  11.860   6.560  -5.120
  656   1HH1  ARG  81          1HH1      ARG  81  11.300   9.129  -2.833
  657   2HH1  ARG  81          2HH1      ARG  81  10.728  10.243  -4.029
  658   1HH2  ARG  81          1HH2      ARG  81  11.109   8.021  -6.701
  659   2HH2  ARG  81          2HH2      ARG  81  10.619   9.613  -6.227
  660    H    LYS  82           H        LYS  82  14.742   4.092   0.979
  661    HA   LYS  82           HA       LYS  82  17.574   4.825   0.619
  662   1HB   LYS  82           HB2      LYS  82  15.830   5.632   2.948
  663   2HB   LYS  82           HB3      LYS  82  17.460   6.186   2.597
  664   1HG   LYS  82           HG2      LYS  82  16.618   7.285   0.557
  665   2HG   LYS  82           HG3      LYS  82  14.982   6.782   0.994
  666   1HD   LYS  82           HD2      LYS  82  15.155   8.052   3.083
  667   2HD   LYS  82           HD3      LYS  82  16.781   8.568   2.629
  668   1HE   LYS  82           HE2      LYS  82  14.249   9.169   1.104
  669   2HE   LYS  82           HE3      LYS  82  15.115  10.298   2.148
  670   1HZ   LYS  82           HZ2      LYS  82  17.025  10.135   0.675
  671   2HZ   LYS  82           HZ1      LYS  82  16.193   9.054  -0.325
  672   3HZ   LYS  82           HZ3      LYS  82  15.658  10.653  -0.176
  673    H    ARG  83           H        ARG  83  18.685   4.482   2.945
  674    HA   ARG  83           HA       ARG  83  18.057   1.711   3.728
  675   1HB   ARG  83           HB2      ARG  83  20.734   3.113   3.805
  676   2HB   ARG  83           HB3      ARG  83  20.429   1.436   4.230
  677   1HG   ARG  83           HG2      ARG  83  19.938   0.862   1.984
  678   2HG   ARG  83           HG3      ARG  83  19.894   2.558   1.495
  679   1HD   ARG  83           HD2      ARG  83  22.276   2.767   1.998
  680   2HD   ARG  83           HD3      ARG  83  22.322   1.074   2.490
  681    HE   ARG  83           HE       ARG  83  21.324   1.255  -0.134
  682   1HH1  ARG  83          1HH1      ARG  83  24.286   1.659   1.657
  683   2HH1  ARG  83          2HH1      ARG  83  25.304   1.253   0.316
  684   1HH2  ARG  83          1HH2      ARG  83  22.656   0.718  -1.905
  685   2HH2  ARG  83          2HH2      ARG  83  24.378   0.719  -1.709
  686    H    GLY  84           H        GLY  84  17.435   1.402   5.772
  687   1HA   GLY  84           HA3      GLY  84  17.590   3.631   7.640
  688   2HA   GLY  84           HA2      GLY  84  18.468   2.181   8.104
  689    H    HIS  85           H        HIS  85  16.045   3.600   9.216
  690    HA   HIS  85           HA       HIS  85  14.508   1.184   9.688
  691   1HB   HIS  85           HB2      HIS  85  14.216   3.941  10.894
  692   2HB   HIS  85           HB3      HIS  85  13.379   2.489  11.430
  693    HD1  HIS  85           HD1      HIS  85  16.513   4.357  11.825
  694    HD2  HIS  85           HD2      HIS  85  15.113   0.535  12.658
  695    HE1  HIS  85           HE1      HIS  85  18.169   3.372  13.441
  696    HE2  HIS  85           HE2      HIS  85  17.343   1.031  13.869
  697    H    HIS  86           H        HIS  86  13.372   0.849   7.802
  698    HA   HIS  86           HA       HIS  86  11.402   2.913   7.070
  699   1HB   HIS  86           HB2      HIS  86  12.475   0.628   5.398
  700   2HB   HIS  86           HB3      HIS  86  11.289   1.818   4.870
  701    HD1  HIS  86           HD1      HIS  86  13.903   3.387   6.844
  702    HD2  HIS  86           HD2      HIS  86  13.359   2.326   2.866
  703    HE1  HIS  86           HE1      HIS  86  15.615   4.702   5.560
  704    HE2  HIS  86           HE2      HIS  86  15.189   4.129   3.145
  705    H    THR  87           H        THR  87   9.241   2.201   6.541
  706    HA   THR  87           HA       THR  87   8.474  -0.509   7.156
  707    HB   THR  87           HB       THR  87   7.488   1.716   8.947
  708    HG1  THR  87           HG1      THR  87   9.266  -0.464   9.385
  709   1HG2  THR  87          2HG2      THR  87   5.782   0.020   8.444
  710   2HG2  THR  87          1HG2      THR  87   6.891  -1.245   8.973
  711   3HG2  THR  87          3HG2      THR  87   6.298  -0.054  10.131
  712    H    LEU  88           H        LEU  88   6.433  -1.044   6.450
  713    HA   LEU  88           HA       LEU  88   5.165   0.919   4.694
  714   1HB   LEU  88           HB2      LEU  88   5.677  -1.155   3.625
  715   2HB   LEU  88           HB3      LEU  88   4.948  -2.073   4.922
  716    HG   LEU  88           HG       LEU  88   2.731  -1.089   4.266
  717   1HD1  LEU  88          3HD1      LEU  88   3.642   0.867   3.073
  718   2HD1  LEU  88          2HD1      LEU  88   4.238  -0.211   1.812
  719   3HD1  LEU  88          1HD1      LEU  88   2.505  -0.064   2.097
  720   1HD2  LEU  88          2HD2      LEU  88   4.243  -2.755   2.267
  721   2HD2  LEU  88          1HD2      LEU  88   3.271  -3.331   3.620
  722   3HD2  LEU  88          3HD2      LEU  88   2.496  -2.529   2.254
  723    H    GLU  89           H        GLU  89   4.003   2.150   6.141
  724    HA   GLU  89           HA       GLU  89   2.347   1.026   8.155
  725   1HB   GLU  89           HB2      GLU  89   2.470   3.789   6.958
  726   2HB   GLU  89           HB3      GLU  89   1.462   3.353   8.330
  727   1HG   GLU  89           HG2      GLU  89   3.389   2.773   9.623
  728   2HG   GLU  89           HG3      GLU  89   4.451   3.079   8.250
  729    H    LEU  90           H        LEU  90   0.890  -0.406   7.284
  730    HA   LEU  90           HA       LEU  90  -1.108   0.749   5.454
  731   1HB   LEU  90           HB2      LEU  90  -0.233  -2.101   5.864
  732   2HB   LEU  90           HB3      LEU  90  -1.734  -1.698   5.061
  733    HG   LEU  90           HG       LEU  90   1.037  -0.938   4.142
  734   1HD1  LEU  90          3HD1      LEU  90  -0.999  -2.867   3.043
  735   2HD1  LEU  90          2HD1      LEU  90   0.509  -2.419   2.248
  736   3HD1  LEU  90          1HD1      LEU  90   0.547  -3.278   3.786
  737   1HD2  LEU  90          3HD2      LEU  90  -1.658  -0.338   2.931
  738   2HD2  LEU  90          2HD2      LEU  90  -0.508   0.832   3.580
  739   3HD2  LEU  90          1HD2      LEU  90  -0.107  -0.086   2.128
  740    H    VAL  91           H        VAL  91  -3.093   1.058   6.189
  741    HA   VAL  91           HA       VAL  91  -3.915  -0.347   8.645
  742    HB   VAL  91           HB       VAL  91  -3.270   1.970   9.162
  743   1HG1  VAL  91          2HG1      VAL  91  -5.400   2.680   7.149
  744   2HG1  VAL  91          1HG1      VAL  91  -4.677   3.824   8.283
  745   3HG1  VAL  91          3HG1      VAL  91  -3.674   3.043   7.061
  746   1HG2  VAL  91          1HG2      VAL  91  -6.238   1.462   9.354
  747   2HG2  VAL  91          3HG2      VAL  91  -5.007   0.931  10.500
  748   3HG2  VAL  91          2HG2      VAL  91  -5.339   2.651  10.298
  749    H    TYR  92           H        TYR  92  -6.216  -0.500   8.957
  750    HA   TYR  92           HA       TYR  92  -7.688  -0.732   6.435
  751   1HB   TYR  92           HB2      TYR  92  -7.415  -2.634   8.193
  752   2HB   TYR  92           HB3      TYR  92  -8.638  -1.753   9.100
  753    HD1  TYR  92           HD1      TYR  92 -10.563  -3.037   9.012
  754    HD2  TYR  92           HD2      TYR  92  -8.354  -2.395   5.433
  755    HE1  TYR  92           HE1      TYR  92 -12.328  -4.165   7.726
  756    HE2  TYR  92           HE2      TYR  92 -10.114  -3.520   4.138
  757    HH   TYR  92           HH       TYR  92 -13.175  -4.230   5.423
  758    H    THR  93           H        THR  93  -8.122   1.537   6.235
  759    HA   THR  93           HA       THR  93 -10.017   2.608   8.233
  760    HB   THR  93           HB       THR  93  -7.936   3.869   8.177
  761    HG1  THR  93           HG1      THR  93  -9.672   5.590   6.828
  762   1HG2  THR  93          3HG2      THR  93  -8.466   3.804   5.256
  763   2HG2  THR  93          2HG2      THR  93  -7.741   5.270   5.918
  764   3HG2  THR  93          1HG2      THR  93  -6.936   3.711   6.129
  765    H    ARG  94           H        ARG  94 -11.791   3.835   7.526
  766    HA   ARG  94           HA       ARG  94 -12.691   3.207   4.827
  767   1HB   ARG  94           HB2      ARG  94 -14.016   4.101   7.343
  768   2HB   ARG  94           HB3      ARG  94 -14.787   4.513   5.819
  769   1HG   ARG  94           HG2      ARG  94 -14.800   2.136   5.202
  770   2HG   ARG  94           HG3      ARG  94 -14.098   1.747   6.771
  771   1HD   ARG  94           HD2      ARG  94 -16.511   1.415   6.781
  772   2HD   ARG  94           HD3      ARG  94 -16.039   2.698   7.892
  773    HE   ARG  94           HE       ARG  94 -16.651   3.933   5.499
  774   1HH1  ARG  94          1HH1      ARG  94 -18.301   1.956   7.847
  775   2HH1  ARG  94          2HH1      ARG  94 -19.853   2.662   7.542
  776   1HH2  ARG  94          1HH2      ARG  94 -18.691   4.868   5.090
  777   2HH2  ARG  94          2HH2      ARG  94 -20.075   4.317   5.975
  778    HA   PRO  95           HA       PRO  95 -10.860   7.125   3.418
  779   1HB   PRO  95           HB2      PRO  95 -12.854   6.451   1.297
  780   2HB   PRO  95           HB3      PRO  95 -11.193   7.023   1.133
  781   1HG   PRO  95           HG2      PRO  95 -11.861   4.432   0.807
  782   2HG   PRO  95           HG3      PRO  95 -10.300   4.933   1.472
  783   1HD   PRO  95           HD2      PRO  95 -12.563   3.640   2.813
  784   2HD   PRO  95           HD3      PRO  95 -10.872   3.764   3.322
  785    H    PHE  96           H        PHE  96 -14.292   6.331   3.600
  786    HA   PHE  96           HA       PHE  96 -15.156   9.049   3.302
  787   1HB   PHE  96           HB2      PHE  96 -16.789   7.578   2.579
  788   2HB   PHE  96           HB3      PHE  96 -16.493   6.439   3.888
  789    HD1  PHE  96           HD1      PHE  96 -18.148   9.600   2.978
  790    HD2  PHE  96           HD2      PHE  96 -17.614   6.616   5.959
  791    HE1  PHE  96           HE1      PHE  96 -20.058  10.515   4.234
  792    HE2  PHE  96           HE2      PHE  96 -19.509   7.522   7.225
  793    HZ   PHE  96           HZ       PHE  96 -20.743   9.476   6.361
  794    H    GLU  97           H        GLU  97 -15.348   6.773   6.063
  795    HA   GLU  97           HA       GLU  97 -16.045   8.800   7.921
  796   1HB   GLU  97           HB2      GLU  97 -14.942   6.022   8.352
  797   2HB   GLU  97           HB3      GLU  97 -15.508   7.065   9.647
  798   1HG   GLU  97           HG2      GLU  97 -17.726   7.128   8.444
  799   2HG   GLU  97           HG3      GLU  97 -17.102   5.821   7.437
  800    H    GLY  98           H        GLY  98 -13.051   6.865   7.777
  801   1HA   GLY  98           HA3      GLY  98 -11.660   9.023   9.197
  802   2HA   GLY  98           HA2      GLY  98 -11.021   8.511   7.641
  803    H    ILE  99           H        ILE  99  -9.244   8.276   9.447
  804    HA   ILE  99           HA       ILE  99  -9.075   5.403   9.895
  805    HB   ILE  99           HB       ILE  99  -6.851   7.323  10.447
  806   1HG1  ILE  99          2HG1      ILE  99  -7.249   6.120   7.725
  807   2HG1  ILE  99          3HG1      ILE  99  -8.005   7.660   8.126
  808   1HG2  ILE  99          2HG2      ILE  99  -7.148   4.424   9.758
  809   2HG2  ILE  99          1HG2      ILE  99  -5.620   5.260   9.465
  810   3HG2  ILE  99          3HG2      ILE  99  -6.278   5.170  11.099
  811   1HD1  ILE  99          2HD1      ILE  99  -5.799   8.583   8.651
  812   2HD1  ILE  99          1HD1      ILE  99  -5.059   7.043   8.210
  813   3HD1  ILE  99          3HD1      ILE  99  -5.897   8.001   6.988
  814    H    LYS 100           H        LYS 100  -8.547   4.481  11.874
  815    HA   LYS 100           HA       LYS 100  -8.518   6.159  14.252
  816   1HB   LYS 100           HB2      LYS 100 -10.620   4.071  13.700
  817   2HB   LYS 100           HB3      LYS 100 -10.313   4.732  15.289
  818   1HG   LYS 100           HG2      LYS 100 -11.031   6.886  14.646
  819   2HG   LYS 100           HG3      LYS 100 -11.000   6.464  12.934
  820   1HD   LYS 100           HD2      LYS 100 -12.799   5.003  14.834
  821   2HD   LYS 100           HD3      LYS 100 -13.277   6.565  14.163
  822   1HE   LYS 100           HE2      LYS 100 -12.567   4.080  12.608
  823   2HE   LYS 100           HE3      LYS 100 -14.178   4.773  12.806
  824   1HZ   LYS 100           HZ1      LYS 100 -13.432   6.745  11.625
  825   2HZ   LYS 100           HZ3      LYS 100 -11.892   6.073  11.427
  826   3HZ   LYS 100           HZ2      LYS 100 -13.228   5.362  10.672
  827    HA   PRO 101           HA       PRO 101  -5.806   3.108  15.887
  828   1HB   PRO 101           HB2      PRO 101  -6.592   2.922  18.488
  829   2HB   PRO 101           HB3      PRO 101  -5.703   4.304  17.843
  830   1HG   PRO 101           HG2      PRO 101  -8.638   4.008  18.347
  831   2HG   PRO 101           HG3      PRO 101  -7.580   5.391  18.678
  832   1HD   PRO 101           HD2      PRO 101  -9.208   5.295  16.523
  833   2HD   PRO 101           HD3      PRO 101  -7.636   6.120  16.494
  834    H    GLU 102           H        GLU 102  -9.211   2.621  16.704
  835    HA   GLU 102           HA       GLU 102  -9.048  -0.078  17.434
  836   1HB   GLU 102           HB2      GLU 102 -11.491  -0.134  16.915
  837   2HB   GLU 102           HB3      GLU 102 -11.006   1.163  18.000
  838   1HG   GLU 102           HG2      GLU 102 -11.013   2.723  16.133
  839   2HG   GLU 102           HG3      GLU 102 -11.518   1.424  15.056
  840    H    ASN 103           H        ASN 103  -9.179   1.491  14.337
  841    HA   ASN 103           HA       ASN 103 -10.001  -0.631  12.719
  842   1HB   ASN 103           HB2      ASN 103  -8.045   1.585  12.082
  843   2HB   ASN 103           HB3      ASN 103  -8.823   0.548  10.892
  844   1HD2  ASN 103          1HD2      ASN 103 -11.329   0.521  12.473
  845   2HD2  ASN 103          2HD2      ASN 103 -12.072   2.050  12.167
  846    H    GLU 104           H        GLU 104  -8.783  -2.074  11.371
  847    HA   GLU 104           HA       GLU 104  -6.824  -3.521  12.721
  848   1HB   GLU 104           HB2      GLU 104  -8.131  -3.584  10.110
  849   2HB   GLU 104           HB3      GLU 104  -6.498  -4.221  10.095
  850   1HG   GLU 104           HG2      GLU 104  -7.840  -6.071  10.524
  851   2HG   GLU 104           HG3      GLU 104  -7.208  -5.616  12.103
  852    H    ARG 105           H        ARG 105  -4.639  -4.023  11.860
  853    HA   ARG 105           HA       ARG 105  -3.303  -1.657  10.727
  854   1HB   ARG 105           HB2      ARG 105  -3.017  -1.679  13.181
  855   2HB   ARG 105           HB3      ARG 105  -2.348  -3.295  13.085
  856   1HG   ARG 105           HG2      ARG 105  -0.426  -2.065  13.242
  857   2HG   ARG 105           HG3      ARG 105  -0.617  -2.146  11.486
  858   1HD   ARG 105           HD2      ARG 105  -0.113   0.123  12.153
  859   2HD   ARG 105           HD3      ARG 105  -1.754   0.025  11.510
  860    HE   ARG 105           HE       ARG 105  -1.950  -0.324  14.245
  861   1HH1  ARG 105          1HH1      ARG 105  -0.887   2.163  12.045
  862   2HH1  ARG 105          2HH1      ARG 105  -1.303   3.464  13.111
  863   1HH2  ARG 105          1HH2      ARG 105  -2.501   1.386  15.654
  864   2HH2  ARG 105          2HH2      ARG 105  -2.219   3.022  15.161
  865    H    TYR 106           H        TYR 106  -1.112  -2.154   9.918
  866    HA   TYR 106           HA       TYR 106  -0.118  -4.761   9.612
  867   1HB   TYR 106           HB2      TYR 106  -2.058  -4.972   8.074
  868   2HB   TYR 106           HB3      TYR 106  -1.409  -3.644   7.112
  869    HD1  TYR 106           HD1      TYR 106   0.326  -4.024   5.528
  870    HD2  TYR 106           HD2      TYR 106  -0.803  -7.115   8.223
  871    HE1  TYR 106           HE1      TYR 106   1.658  -5.632   4.232
  872    HE2  TYR 106           HE2      TYR 106   0.526  -8.733   6.936
  873    HH   TYR 106           HH       TYR 106   2.771  -7.797   4.569
  874    H    THR 107           H        THR 107   1.502  -3.307  10.476
  875    HA   THR 107           HA       THR 107   2.742  -1.501   8.539
  876    HB   THR 107           HB       THR 107   4.074  -1.655  11.112
  877    HG1  THR 107           HG1      THR 107   1.268  -1.232  11.037
  878   1HG2  THR 107          2HG2      THR 107   4.134   0.187   9.367
  879   2HG2  THR 107          1HG2      THR 107   2.527   0.641   9.930
  880   3HG2  THR 107          3HG2      THR 107   3.899   0.706  11.036
  881    H    LEU 108           H        LEU 108   3.828  -2.877   7.145
  882    HA   LEU 108           HA       LEU 108   5.462  -5.024   8.081
  883   1HB   LEU 108           HB2      LEU 108   4.608  -5.291   5.910
  884   2HB   LEU 108           HB3      LEU 108   5.101  -3.687   5.421
  885    HG   LEU 108           HG       LEU 108   7.439  -4.382   5.389
  886   1HD1  LEU 108          2HD1      LEU 108   7.360  -6.021   7.190
  887   2HD1  LEU 108          1HD1      LEU 108   6.399  -7.098   6.175
  888   3HD1  LEU 108          3HD1      LEU 108   8.061  -6.713   5.727
  889   1HD2  LEU 108          3HD2      LEU 108   6.090  -4.657   3.370
  890   2HD2  LEU 108          2HD2      LEU 108   7.338  -5.898   3.495
  891   3HD2  LEU 108          1HD2      LEU 108   5.661  -6.289   3.881
  892    H    HIS 109           H        HIS 109   6.951  -4.263   9.532
  893    HA   HIS 109           HA       HIS 109   8.628  -2.013   8.964
  894   1HB   HIS 109           HB2      HIS 109   8.522  -4.049  11.146
  895   2HB   HIS 109           HB3      HIS 109   9.902  -2.970  11.004
  896    HD1  HIS 109           HD1      HIS 109   9.602  -0.593  11.814
  897    HD2  HIS 109           HD2      HIS 109   6.047  -2.745  11.733
  898    HE1  HIS 109           HE1      HIS 109   7.913   0.856  12.983
  899    HE2  HIS 109           HE2      HIS 109   5.790  -0.502  12.997
  900    H    LEU 110           H        LEU 110  10.806  -1.998   8.494
  901    HA   LEU 110           HA       LEU 110  12.087  -4.479   7.675
  902   1HB   LEU 110           HB2      LEU 110  11.647  -2.142   5.819
  903   2HB   LEU 110           HB3      LEU 110  12.690  -3.503   5.469
  904    HG   LEU 110           HG       LEU 110   9.694  -3.641   5.860
  905   1HD1  LEU 110          3HD1      LEU 110  11.371  -3.832   3.362
  906   2HD1  LEU 110          2HD1      LEU 110   9.629  -4.091   3.456
  907   3HD1  LEU 110          1HD1      LEU 110  10.303  -2.498   3.800
  908   1HD2  LEU 110          1HD2      LEU 110  11.018  -5.677   6.530
  909   2HD2  LEU 110          3HD2      LEU 110   9.822  -5.927   5.260
  910   3HD2  LEU 110          2HD2      LEU 110  11.530  -5.797   4.848
  911    H    ASN 111           H        ASN 111  14.074  -4.444   8.510
  912    HA   ASN 111           HA       ASN 111  15.345  -1.924   9.184
  913   1HB   ASN 111           HB2      ASN 111  15.444  -3.856  10.754
  914   2HB   ASN 111           HB3      ASN 111  16.358  -4.758   9.550
  915   1HD2  ASN 111          1HD2      ASN 111  18.497  -4.257   9.183
  916   2HD2  ASN 111          2HD2      ASN 111  19.406  -3.219  10.221
  917    H    VAL 112           H        VAL 112  15.182  -1.573   6.755
  918    HA   VAL 112           HA       VAL 112  16.567  -2.836   4.791
  919    HB   VAL 112           HB       VAL 112  16.717   0.153   4.911
  920   1HG1  VAL 112          2HG1      VAL 112  17.590  -1.120   2.971
  921   2HG1  VAL 112          1HG1      VAL 112  15.962  -1.745   2.701
  922   3HG1  VAL 112          3HG1      VAL 112  16.278  -0.016   2.552
  923   1HG2  VAL 112          3HG2      VAL 112  14.220  -1.503   4.635
  924   2HG2  VAL 112          2HG2      VAL 112  14.534  -0.180   5.759
  925   3HG2  VAL 112          1HG2      VAL 112  14.343   0.153   4.038
  926    H    LYS 113           H        LYS 113  18.606  -3.366   4.455
  927    HA   LYS 113           HA       LYS 113  20.697  -2.529   6.189
  928   1HB   LYS 113           HB2      LYS 113  20.841  -4.042   3.575
  929   2HB   LYS 113           HB3      LYS 113  22.141  -3.904   4.752
  930   1HG   LYS 113           HG2      LYS 113  19.490  -5.273   5.159
  931   2HG   LYS 113           HG3      LYS 113  21.058  -6.050   4.953
  932   1HD   LYS 113           HD2      LYS 113  20.287  -4.236   7.238
  933   2HD   LYS 113           HD3      LYS 113  20.362  -5.997   7.307
  934   1HE   LYS 113           HE2      LYS 113  22.763  -5.885   6.748
  935   2HE   LYS 113           HE3      LYS 113  22.665  -4.125   6.779
  936   1HZ   LYS 113           HZ3      LYS 113  22.021  -4.237   9.103
  937   2HZ   LYS 113           HZ2      LYS 113  22.115  -5.925   9.075
  938   3HZ   LYS 113           HZ1      LYS 113  23.513  -4.998   8.861

  No H/Q in entry =         938
  Start of MODEL   26
    1    H1   GLY  -2           HT1      GLY  -2 -10.664 -24.467  23.696
    2    H2   GLY  -2           HT3      GLY  -2 -11.926 -24.225  22.595
    3    H3   GLY  -2           HT2      GLY  -2 -10.417 -24.755  22.048
    4   1HA   GLY  -2           HA2      GLY  -2 -10.713 -22.417  21.548
    5   2HA   GLY  -2           HA3      GLY  -2  -9.400 -22.669  22.688
    6    H    SER  -1           H        SER  -1 -10.310 -22.749  25.078
    7    HA   SER  -1           HA       SER  -1 -12.441 -20.822  25.509
    8   1HB   SER  -1           HB2      SER  -1 -12.359 -22.814  26.932
    9   2HB   SER  -1           HB3      SER  -1 -10.744 -22.370  27.484
   10    HG   SER  -1           HG       SER  -1 -12.921 -20.605  27.788
   11    H    HIS   0           H        HIS   0  -8.970 -20.994  25.610
   12    HA   HIS   0           HA       HIS   0  -8.826 -18.307  26.787
   13   1HB   HIS   0           HB2      HIS   0  -6.643 -20.355  26.339
   14   2HB   HIS   0           HB3      HIS   0  -6.421 -18.781  27.096
   15    HD1  HIS   0           HD1      HIS   0  -6.955 -18.589  29.551
   16    HD2  HIS   0           HD2      HIS   0  -8.180 -22.204  27.912
   17    HE1  HIS   0           HE1      HIS   0  -7.646 -20.011  31.505
   18    HE2  HIS   0           HE2      HIS   0  -8.298 -22.226  30.496
   19    H    MET   1           H        MET   1  -8.618 -16.645  25.453
   20    HA   MET   1           HA       MET   1  -7.873 -17.073  22.685
   21   1HB   MET   1           HB2      MET   1  -8.749 -14.597  24.180
   22   2HB   MET   1           HB3      MET   1  -8.378 -14.629  22.462
   23   1HG   MET   1           HG2      MET   1 -10.735 -14.752  22.700
   24   2HG   MET   1           HG3      MET   1 -10.165 -16.335  22.173
   25   1HE   MET   1           HE3      MET   1 -12.497 -17.405  22.858
   26   2HE   MET   1           HE2      MET   1 -13.225 -17.222  24.453
   27   3HE   MET   1           HE1      MET   1 -13.073 -15.825  23.389
   28    H    ILE   2           H        ILE   2  -6.891 -14.542  24.983
   29    HA   ILE   2           HA       ILE   2  -4.861 -13.682  25.546
   30    HB   ILE   2           HB       ILE   2  -3.633 -15.972  24.006
   31   1HG1  ILE   2          2HG1      ILE   2  -4.175 -15.733  26.975
   32   2HG1  ILE   2          3HG1      ILE   2  -5.140 -16.694  25.858
   33   1HG2  ILE   2          3HG2      ILE   2  -2.099 -14.114  24.369
   34   2HG2  ILE   2          2HG2      ILE   2  -2.468 -14.133  26.094
   35   3HG2  ILE   2          1HG2      ILE   2  -1.644 -15.505  25.353
   36   1HD1  ILE   2          2HD1      ILE   2  -3.184 -18.074  25.366
   37   2HD1  ILE   2          1HD1      ILE   2  -2.234 -17.119  26.504
   38   3HD1  ILE   2          3HD1      ILE   2  -3.588 -18.087  27.083
   39    H    ALA   3           H        ALA   3  -5.482 -14.545  22.218
   40    HA   ALA   3           HA       ALA   3  -3.982 -12.153  21.395
   41   1HB   ALA   3           HB1      ALA   3  -3.431 -13.260  19.281
   42   2HB   ALA   3           HB2      ALA   3  -4.210 -14.734  19.856
   43   3HB   ALA   3           HB3      ALA   3  -2.771 -14.123  20.669
   44    HA   PRO   4           HA       PRO   4  -7.778 -12.385  18.485
   45   1HB   PRO   4           HB2      PRO   4  -9.610 -14.334  18.772
   46   2HB   PRO   4           HB3      PRO   4  -8.144 -14.563  17.813
   47   1HG   PRO   4           HG2      PRO   4  -8.739 -15.450  20.609
   48   2HG   PRO   4           HG3      PRO   4  -7.935 -16.338  19.301
   49   1HD   PRO   4           HD2      PRO   4  -6.593 -15.084  21.324
   50   2HD   PRO   4           HD3      PRO   4  -5.909 -15.345  19.709
   51    H    LEU   5           H        LEU   5  -8.463 -10.568  19.568
   52    HA   LEU   5           HA       LEU   5 -10.964 -10.681  20.883
   53   1HB   LEU   5           HB2      LEU   5  -9.327 -11.449  22.688
   54   2HB   LEU   5           HB3      LEU   5  -8.705  -9.811  22.677
   55    HG   LEU   5           HG       LEU   5 -11.618 -10.374  23.177
   56   1HD1  LEU   5          2HD1      LEU   5  -9.404 -10.258  25.220
   57   2HD1  LEU   5          1HD1      LEU   5 -11.132 -10.296  25.573
   58   3HD1  LEU   5          3HD1      LEU   5 -10.360 -11.679  24.799
   59   1HD2  LEU   5          3HD2      LEU   5  -9.783  -8.080  23.855
   60   2HD2  LEU   5          2HD2      LEU   5 -11.084  -8.081  22.664
   61   3HD2  LEU   5          1HD2      LEU   5 -11.461  -8.218  24.381
   62    H    SER   6           H        SER   6  -8.044  -8.646  21.128
   63    HA   SER   6           HA       SER   6  -9.440  -6.518  19.689
   64   1HB   SER   6           HB2      SER   6  -8.764  -4.837  21.366
   65   2HB   SER   6           HB3      SER   6  -9.851  -6.042  22.058
   66    HG   SER   6           HG       SER   6  -7.927  -5.502  23.326
   67    H    VAL   7           H        VAL   7  -6.584  -8.171  20.596
   68    HA   VAL   7           HA       VAL   7  -4.890  -6.244  19.166
   69    HB   VAL   7           HB       VAL   7  -2.977  -7.417  20.137
   70   1HG1  VAL   7          1HG1      VAL   7  -3.968  -5.565  21.374
   71   2HG1  VAL   7          3HG1      VAL   7  -5.064  -6.682  22.187
   72   3HG1  VAL   7          2HG1      VAL   7  -3.327  -6.784  22.475
   73   1HG2  VAL   7          2HG2      VAL   7  -5.043  -9.158  21.476
   74   2HG2  VAL   7          1HG2      VAL   7  -3.888  -9.662  20.241
   75   3HG2  VAL   7          3HG2      VAL   7  -3.316  -9.164  21.834
   76    H    LYS   8           H        LYS   8  -3.438  -6.964  17.545
   77    HA   LYS   8           HA       LYS   8  -3.711  -9.641  16.493
   78   1HB   LYS   8           HB2      LYS   8  -4.537  -7.195  14.919
   79   2HB   LYS   8           HB3      LYS   8  -4.224  -8.764  14.199
   80   1HG   LYS   8           HG2      LYS   8  -6.327  -8.241  16.286
   81   2HG   LYS   8           HG3      LYS   8  -6.624  -8.289  14.547
   82   1HD   LYS   8           HD2      LYS   8  -5.846 -10.604  14.473
   83   2HD   LYS   8           HD3      LYS   8  -5.531 -10.558  16.208
   84   1HE   LYS   8           HE2      LYS   8  -8.219 -10.211  14.885
   85   2HE   LYS   8           HE3      LYS   8  -7.655 -11.661  15.716
   86   1HZ   LYS   8           HZ1      LYS   8  -7.505 -10.383  17.763
   87   2HZ   LYS   8           HZ3      LYS   8  -8.059  -8.997  16.964
   88   3HZ   LYS   8           HZ2      LYS   8  -9.077 -10.336  17.139
   89    H    ASP   9           H        ASP   9  -1.892 -10.276  15.486
   90    HA   ASP   9           HA       ASP   9   0.382  -8.515  15.625
   91   1HB   ASP   9           HB2      ASP   9   0.466 -10.965  16.215
   92   2HB   ASP   9           HB3      ASP   9   0.290 -11.310  14.497
   93    H    ASN  10           H        ASN  10   0.491  -7.008  14.096
   94    HA   ASN  10           HA       ASN  10   0.149  -7.819  11.293
   95   1HB   ASN  10           HB2      ASN  10   0.044  -5.040  11.367
   96   2HB   ASN  10           HB3      ASN  10  -1.318  -6.138  11.177
   97   1HD2  ASN  10          1HD2      ASN  10   0.418  -4.055  13.316
   98   2HD2  ASN  10          2HD2      ASN  10  -0.746  -4.041  14.593
   99    H    ASP  11           H        ASP  11   1.529  -4.908  12.621
  100    HA   ASP  11           HA       ASP  11   3.519  -4.333  11.004
  101   1HB   ASP  11           HB2      ASP  11   4.854  -3.848  13.296
  102   2HB   ASP  11           HB3      ASP  11   3.530  -2.845  12.713
  103    H    LYS  12           H        LYS  12   4.819  -5.654   9.974
  104    HA   LYS  12           HA       LYS  12   6.056  -7.915  11.298
  105   1HB   LYS  12           HB2      LYS  12   5.223  -7.458   8.713
  106   2HB   LYS  12           HB3      LYS  12   6.970  -7.306   8.586
  107   1HG   LYS  12           HG2      LYS  12   7.206  -9.516   9.657
  108   2HG   LYS  12           HG3      LYS  12   5.448  -9.662   9.672
  109   1HD   LYS  12           HD2      LYS  12   6.245 -10.858   7.770
  110   2HD   LYS  12           HD3      LYS  12   5.494  -9.373   7.182
  111   1HE   LYS  12           HE2      LYS  12   7.711  -8.335   7.010
  112   2HE   LYS  12           HE3      LYS  12   8.450  -9.835   7.566
  113   1HZ   LYS  12           HZ3      LYS  12   7.566 -10.952   5.614
  114   2HZ   LYS  12           HZ2      LYS  12   6.859  -9.511   5.079
  115   3HZ   LYS  12           HZ1      LYS  12   8.543  -9.646   5.164
  116    H    TRP  13           H        TRP  13   7.525  -7.085  12.737
  117    HA   TRP  13           HA       TRP  13   9.434  -5.083  12.037
  118   1HB   TRP  13           HB2      TRP  13   9.689  -6.917  14.398
  119   2HB   TRP  13           HB3      TRP  13  10.126  -5.221  14.252
  120    HD1  TRP  13           HD1      TRP  13   7.037  -7.463  14.695
  121    HE1  TRP  13           HE1      TRP  13   5.111  -6.046  15.645
  122    HE3  TRP  13           HE3      TRP  13   9.275  -2.865  14.580
  123    HZ2  TRP  13           HZ2      TRP  13   4.591  -3.333  16.254
  124    HZ3  TRP  13           HZ3      TRP  13   8.001  -0.917  15.375
  125    HH2  TRP  13           HH2      TRP  13   5.715  -1.148  16.201
  126    H    VAL  14           H        VAL  14  10.778  -5.666  10.387
  127    HA   VAL  14           HA       VAL  14  12.686  -7.809  10.972
  128    HB   VAL  14           HB       VAL  14  12.451  -8.837   8.739
  129   1HG1  VAL  14          1HG1      VAL  14  11.390  -9.879  10.668
  130   2HG1  VAL  14          3HG1      VAL  14   9.939  -8.913  10.405
  131   3HG1  VAL  14          2HG1      VAL  14  10.423 -10.119   9.213
  132   1HG2  VAL  14          3HG2      VAL  14   9.992  -7.104   8.543
  133   2HG2  VAL  14          2HG2      VAL  14  11.434  -7.010   7.534
  134   3HG2  VAL  14          1HG2      VAL  14  10.388  -8.427   7.447
  135    H    ASP  15           H        ASP  15  14.055  -8.026   8.740
  136    HA   ASP  15           HA       ASP  15  15.043  -5.305   8.197
  137   1HB   ASP  15           HB2      ASP  15  16.376  -7.940   8.628
  138   2HB   ASP  15           HB3      ASP  15  17.157  -6.778   7.557
  139    H    THR  16           H        THR  16  16.471  -5.439   6.015
  140    HA   THR  16           HA       THR  16  15.661  -7.178   3.962
  141    HB   THR  16           HB       THR  16  13.512  -5.825   4.435
  142    HG1  THR  16           HG1      THR  16  13.466  -5.544   1.897
  143   1HG2  THR  16          1HG2      THR  16  14.639  -3.615   4.459
  144   2HG2  THR  16          3HG2      THR  16  14.974  -3.810   2.738
  145   3HG2  THR  16          2HG2      THR  16  13.307  -3.707   3.306
  146    H    HIS  17           H        HIS  17  15.838  -5.784   1.701
  147    HA   HIS  17           HA       HIS  17  18.380  -4.310   1.912
  148   1HB   HIS  17           HB2      HIS  17  17.456  -6.387  -0.029
  149   2HB   HIS  17           HB3      HIS  17  18.583  -5.156  -0.576
  150    HD1  HIS  17           HD1      HIS  17  21.002  -5.461   0.045
  151    HD2  HIS  17           HD2      HIS  17  18.482  -8.066   2.078
  152    HE1  HIS  17           HE1      HIS  17  22.521  -7.079   1.229
  153    HE2  HIS  17           HE2      HIS  17  20.971  -8.698   2.380
  154    H    VAL  18           H        VAL  18  18.593  -3.301  -0.610
  155    HA   VAL  18           HA       VAL  18  16.598  -1.207  -0.522
  156    HB   VAL  18           HB       VAL  18  18.945  -0.618  -0.866
  157   1HG1  VAL  18          3HG1      VAL  18  19.667  -2.585  -2.100
  158   2HG1  VAL  18          2HG1      VAL  18  18.682  -2.098  -3.480
  159   3HG1  VAL  18          1HG1      VAL  18  20.061  -1.114  -2.990
  160   1HG2  VAL  18          2HG2      VAL  18  17.220   0.875  -1.726
  161   2HG2  VAL  18          1HG2      VAL  18  18.647   0.900  -2.764
  162   3HG2  VAL  18          3HG2      VAL  18  17.213   0.000  -3.257
  163    H    GLY  19           H        GLY  19  15.124  -0.679  -2.035
  164   1HA   GLY  19           HA3      GLY  19  14.866  -1.577  -4.641
  165   2HA   GLY  19           HA2      GLY  19  13.543  -1.016  -3.641
  166    H    LYS  20           H        LYS  20  14.278  -3.372  -1.761
  167    HA   LYS  20           HA       LYS  20  13.715  -5.735  -3.198
  168   1HB   LYS  20           HB2      LYS  20  14.481  -5.173  -0.633
  169   2HB   LYS  20           HB3      LYS  20  12.818  -5.668  -0.397
  170   1HG   LYS  20           HG2      LYS  20  13.963  -7.648  -0.171
  171   2HG   LYS  20           HG3      LYS  20  13.462  -7.694  -1.866
  172   1HD   LYS  20           HD2      LYS  20  15.595  -7.124  -2.629
  173   2HD   LYS  20           HD3      LYS  20  16.078  -6.522  -1.047
  174   1HE   LYS  20           HE2      LYS  20  15.558  -9.407  -1.758
  175   2HE   LYS  20           HE3      LYS  20  17.148  -8.669  -1.563
  176   1HZ   LYS  20           HZ1      LYS  20  15.089  -8.923   0.563
  177   2HZ   LYS  20           HZ3      LYS  20  16.483  -9.872   0.420
  178   3HZ   LYS  20           HZ2      LYS  20  16.615  -8.217   0.749
  179    H    THR  21           H        THR  21  11.989  -5.032  -4.558
  180    HA   THR  21           HA       THR  21   9.563  -3.978  -3.821
  181    HB   THR  21           HB       THR  21   9.768  -6.120  -5.928
  182    HG1  THR  21           HG1      THR  21  10.211  -3.920  -7.151
  183   1HG2  THR  21          3HG2      THR  21   7.546  -5.175  -5.427
  184   2HG2  THR  21          2HG2      THR  21   8.168  -3.561  -5.766
  185   3HG2  THR  21          1HG2      THR  21   8.089  -4.763  -7.055
  186    H    THR  22           H        THR  22   8.624  -4.714  -1.989
  187    HA   THR  22           HA       THR  22   8.094  -7.572  -1.699
  188    HB   THR  22           HB       THR  22   7.596  -5.288   0.226
  189    HG1  THR  22           HG1      THR  22   9.714  -5.573   0.383
  190   1HG2  THR  22          1HG2      THR  22   7.364  -8.274   0.636
  191   2HG2  THR  22          3HG2      THR  22   7.216  -7.049   1.898
  192   3HG2  THR  22          2HG2      THR  22   6.027  -7.124   0.597
  193    H    GLU  23           H        GLU  23   6.412  -8.194  -2.871
  194    HA   GLU  23           HA       GLU  23   4.072  -6.539  -3.168
  195   1HB   GLU  23           HB2      GLU  23   5.021  -7.888  -5.034
  196   2HB   GLU  23           HB3      GLU  23   4.594  -9.343  -4.146
  197   1HG   GLU  23           HG2      GLU  23   2.278  -8.879  -4.321
  198   2HG   GLU  23           HG3      GLU  23   2.595  -7.250  -4.923
  199    H    ILE  24           H        ILE  24   2.271  -6.705  -2.020
  200    HA   ILE  24           HA       ILE  24   1.836  -9.135  -0.430
  201    HB   ILE  24           HB       ILE  24   1.365  -6.327   0.543
  202   1HG1  ILE  24          2HG1      ILE  24   3.480  -8.343   1.316
  203   2HG1  ILE  24          3HG1      ILE  24   3.754  -6.844   0.437
  204   1HG2  ILE  24          3HG2      ILE  24  -0.237  -7.971   1.402
  205   2HG2  ILE  24          2HG2      ILE  24   1.100  -8.971   1.969
  206   3HG2  ILE  24          1HG2      ILE  24   0.830  -7.379   2.676
  207   1HD1  ILE  24          2HD1      ILE  24   3.034  -5.570   2.393
  208   2HD1  ILE  24          1HD1      ILE  24   2.788  -7.077   3.276
  209   3HD1  ILE  24          3HD1      ILE  24   4.407  -6.616   2.753
  210    H    HIS  25           H        HIS  25   0.141  -9.996  -1.462
  211    HA   HIS  25           HA       HIS  25  -2.060  -8.365  -2.382
  212   1HB   HIS  25           HB2      HIS  25  -2.034 -11.372  -2.267
  213   2HB   HIS  25           HB3      HIS  25  -2.922 -10.328  -3.362
  214    HD1  HIS  25           HD1      HIS  25  -0.070 -12.446  -3.307
  215    HD2  HIS  25           HD2      HIS  25  -0.989  -8.826  -5.127
  216    HE1  HIS  25           HE1      HIS  25   1.566 -12.213  -5.203
  217    HE2  HIS  25           HE2      HIS  25   0.916 -10.069  -6.356
  218    H    LEU  26           H        LEU  26  -3.091  -7.510  -0.646
  219    HA   LEU  26           HA       LEU  26  -3.784  -9.183   1.632
  220   1HB   LEU  26           HB2      LEU  26  -4.394  -6.281   1.113
  221   2HB   LEU  26           HB3      LEU  26  -4.617  -7.120   2.632
  222    HG   LEU  26           HG       LEU  26  -1.896  -6.872   1.378
  223   1HD1  LEU  26          2HD1      LEU  26  -3.217  -4.914   3.251
  224   2HD1  LEU  26          1HD1      LEU  26  -1.523  -4.892   2.762
  225   3HD1  LEU  26          3HD1      LEU  26  -2.789  -4.614   1.567
  226   1HD2  LEU  26          2HD2      LEU  26  -2.329  -8.494   3.242
  227   2HD2  LEU  26          1HD2      LEU  26  -1.101  -7.275   3.588
  228   3HD2  LEU  26          3HD2      LEU  26  -2.722  -7.111   4.266
  229    H    LYS  27           H        LYS  27  -5.895  -9.641   2.255
  230    HA   LYS  27           HA       LYS  27  -7.832  -9.481   0.066
  231   1HB   LYS  27           HB2      LYS  27  -8.159 -11.073   2.597
  232   2HB   LYS  27           HB3      LYS  27  -8.991 -11.286   1.066
  233   1HG   LYS  27           HG2      LYS  27  -6.811 -11.929   0.042
  234   2HG   LYS  27           HG3      LYS  27  -6.103 -11.883   1.659
  235   1HD   LYS  27           HD2      LYS  27  -7.685 -13.592   2.407
  236   2HD   LYS  27           HD3      LYS  27  -8.399 -13.638   0.794
  237   1HE   LYS  27           HE2      LYS  27  -5.547 -14.329   1.487
  238   2HE   LYS  27           HE3      LYS  27  -6.831 -15.483   1.132
  239   1HZ   LYS  27           HZ2      LYS  27  -5.771 -13.447  -0.754
  240   2HZ   LYS  27           HZ1      LYS  27  -5.427 -15.103  -0.793
  241   3HZ   LYS  27           HZ3      LYS  27  -7.001 -14.558  -1.093
  242    H    GLY  28           H        GLY  28 -10.111  -9.081   0.654
  243   1HA   GLY  28           HA3      GLY  28 -10.312  -6.609   2.045
  244   2HA   GLY  28           HA2      GLY  28 -10.981  -7.915   3.005
  245    H    ASN  29           H        ASN  29 -12.074  -5.500   1.444
  246    HA   ASN  29           HA       ASN  29 -13.694  -6.451  -0.651
  247   1HB   ASN  29           HB2      ASN  29 -14.742  -7.734   1.213
  248   2HB   ASN  29           HB3      ASN  29 -15.134  -6.208   1.999
  249   1HD2  ASN  29          1HD2      ASN  29 -17.330  -6.567   1.922
  250   2HD2  ASN  29          2HD2      ASN  29 -18.234  -6.500   0.451
  251    HA   PRO  30           HA       PRO  30 -13.378  -1.901  -0.565
  252   1HB   PRO  30           HB2      PRO  30 -14.237  -1.629  -3.169
  253   2HB   PRO  30           HB3      PRO  30 -12.555  -1.882  -2.690
  254   1HG   PRO  30           HG2      PRO  30 -14.570  -3.867  -3.665
  255   2HG   PRO  30           HG3      PRO  30 -12.850  -3.725  -4.069
  256   1HD   PRO  30           HD2      PRO  30 -13.729  -5.563  -2.331
  257   2HD   PRO  30           HD3      PRO  30 -12.175  -4.738  -2.094
  258    H    THR  31           H        THR  31 -16.026  -3.987  -0.826
  259    HA   THR  31           HA       THR  31 -17.932  -1.757  -0.975
  260    HB   THR  31           HB       THR  31 -19.650  -3.469  -1.402
  261    HG1  THR  31           HG1      THR  31 -19.119  -5.422  -0.780
  262   1HG2  THR  31          1HG2      THR  31 -18.515  -2.416  -3.294
  263   2HG2  THR  31          3HG2      THR  31 -17.260  -3.655  -3.238
  264   3HG2  THR  31          2HG2      THR  31 -18.916  -4.095  -3.658
  265    H    THR  32           H        THR  32 -16.294  -2.959   1.397
  266    HA   THR  32           HA       THR  32 -18.530  -3.614   3.174
  267    HB   THR  32           HB       THR  32 -16.420  -5.036   3.141
  268    HG1  THR  32           HG1      THR  32 -17.766  -3.990   5.327
  269   1HG2  THR  32          1HG2      THR  32 -14.859  -3.066   3.094
  270   2HG2  THR  32          3HG2      THR  32 -15.287  -2.769   4.778
  271   3HG2  THR  32          2HG2      THR  32 -14.487  -4.273   4.325
  272    H    GLY  33           H        GLY  33 -16.094  -1.174   2.588
  273   1HA   GLY  33           HA3      GLY  33 -17.067   0.331   4.931
  274   2HA   GLY  33           HA2      GLY  33 -17.009   1.083   3.344
  275    H    TYR  34           H        TYR  34 -14.645  -1.072   4.888
  276    HA   TYR  34           HA       TYR  34 -12.818   1.143   5.302
  277   1HB   TYR  34           HB2      TYR  34 -12.618  -1.803   5.925
  278   2HB   TYR  34           HB3      TYR  34 -11.311  -0.663   6.226
  279    HD1  TYR  34           HD1      TYR  34 -14.818  -1.469   7.117
  280    HD2  TYR  34           HD2      TYR  34 -11.292   0.674   8.182
  281    HE1  TYR  34           HE1      TYR  34 -15.806  -0.936   9.304
  282    HE2  TYR  34           HE2      TYR  34 -12.276   1.210  10.370
  283    HH   TYR  34           HH       TYR  34 -14.504   1.396  11.394
  284    H    MET  35           H        MET  35 -10.394   0.383   4.809
  285    HA   MET  35           HA       MET  35 -10.093  -0.788   2.187
  286   1HB   MET  35           HB2      MET  35 -10.340   1.333   1.319
  287   2HB   MET  35           HB3      MET  35  -9.815   2.111   2.807
  288   1HG   MET  35           HG2      MET  35  -7.501   1.422   2.312
  289   2HG   MET  35           HG3      MET  35  -8.063   0.755   0.794
  290   1HE   MET  35           HE1      MET  35 -10.237   2.784  -0.114
  291   2HE   MET  35           HE3      MET  35  -9.359   4.000  -1.041
  292   3HE   MET  35           HE2      MET  35  -8.999   2.289  -1.268
  293    H    TRP  36           H        TRP  36  -7.931  -1.354   1.755
  294    HA   TRP  36           HA       TRP  36  -6.185  -1.292   4.120
  295   1HB   TRP  36           HB2      TRP  36  -6.806  -3.350   2.140
  296   2HB   TRP  36           HB3      TRP  36  -5.084  -3.117   2.386
  297    HD1  TRP  36           HD1      TRP  36  -7.743  -5.192   3.624
  298    HE1  TRP  36           HE1      TRP  36  -7.247  -6.100   5.982
  299    HE3  TRP  36           HE3      TRP  36  -3.916  -2.062   4.903
  300    HZ2  TRP  36           HZ2      TRP  36  -5.465  -5.558   8.104
  301    HZ3  TRP  36           HZ3      TRP  36  -2.866  -2.321   7.109
  302    HH2  TRP  36           HH2      TRP  36  -3.629  -4.031   8.677
  303    H    THR  37           H        THR  37  -5.319   0.754   3.682
  304    HA   THR  37           HA       THR  37  -3.478   0.784   1.382
  305    HB   THR  37           HB       THR  37  -5.456   2.203   0.895
  306    HG1  THR  37           HG1      THR  37  -3.530   2.835  -0.062
  307   1HG2  THR  37          3HG2      THR  37  -5.984   2.902   3.177
  308   2HG2  THR  37          2HG2      THR  37  -4.480   3.818   3.258
  309   3HG2  THR  37          1HG2      THR  37  -5.749   4.303   2.133
  310    H    ARG  38           H        ARG  38  -2.144   3.139   1.844
  311    HA   ARG  38           HA       ARG  38  -0.533   2.427   4.110
  312   1HB   ARG  38           HB2      ARG  38  -0.281   4.120   1.772
  313   2HB   ARG  38           HB3      ARG  38   0.278   4.946   3.217
  314   1HG   ARG  38           HG2      ARG  38   2.148   3.756   3.286
  315   2HG   ARG  38           HG3      ARG  38   1.273   2.239   3.092
  316   1HD   ARG  38           HD2      ARG  38   2.143   4.105   0.890
  317   2HD   ARG  38           HD3      ARG  38   2.815   2.537   1.251
  318    HE   ARG  38           HE       ARG  38   0.440   3.071  -0.231
  319   1HH1  ARG  38          1HH1      ARG  38   2.101   0.733   1.733
  320   2HH1  ARG  38          2HH1      ARG  38   1.151  -0.605   1.180
  321   1HH2  ARG  38          1HH2      ARG  38  -0.834   1.296  -0.954
  322   2HH2  ARG  38          2HH2      ARG  38  -0.503  -0.286  -0.341
  323    H    VAL  39           H        VAL  39  -0.379   3.411   6.069
  324    HA   VAL  39           HA       VAL  39  -2.563   4.745   7.155
  325    HB   VAL  39           HB       VAL  39   0.282   4.832   8.174
  326   1HG1  VAL  39          1HG1      VAL  39  -2.346   5.247   9.593
  327   2HG1  VAL  39          3HG1      VAL  39  -0.764   5.178  10.369
  328   3HG1  VAL  39          2HG1      VAL  39  -1.138   6.483   9.244
  329   1HG2  VAL  39          1HG2      VAL  39  -0.763   2.538   7.725
  330   2HG2  VAL  39          3HG2      VAL  39  -0.091   2.838   9.329
  331   3HG2  VAL  39          2HG2      VAL  39  -1.837   2.910   9.074
  332    H    GLY  40           H        GLY  40  -3.127   6.842   7.419
  333   1HA   GLY  40           HA3      GLY  40  -1.303   9.019   7.170
  334   2HA   GLY  40           HA2      GLY  40  -3.052   9.139   7.285
  335    H    PHE  41           H        PHE  41  -2.000   7.094   4.790
  336    HA   PHE  41           HA       PHE  41  -2.131   9.263   2.813
  337   1HB   PHE  41           HB2      PHE  41  -1.090   6.440   2.494
  338   2HB   PHE  41           HB3      PHE  41  -1.023   7.708   1.276
  339    HD1  PHE  41           HD1      PHE  41  -0.396   9.804   3.646
  340    HD2  PHE  41           HD2      PHE  41   1.353   6.189   2.232
  341    HE1  PHE  41           HE1      PHE  41   1.790  10.522   4.519
  342    HE2  PHE  41           HE2      PHE  41   3.539   6.901   3.107
  343    HZ   PHE  41           HZ       PHE  41   3.760   9.069   4.253
  344    H    VAL  42           H        VAL  42  -4.346   7.839   4.228
  345    HA   VAL  42           HA       VAL  42  -5.678   6.227   2.270
  346    HB   VAL  42           HB       VAL  42  -6.933   7.543   4.676
  347   1HG1  VAL  42          3HG1      VAL  42  -8.397   6.469   2.967
  348   2HG1  VAL  42          2HG1      VAL  42  -7.586   4.941   3.313
  349   3HG1  VAL  42          1HG1      VAL  42  -8.508   5.755   4.576
  350   1HG2  VAL  42          3HG2      VAL  42  -4.767   6.266   5.130
  351   2HG2  VAL  42          2HG2      VAL  42  -6.195   5.806   6.055
  352   3HG2  VAL  42          1HG2      VAL  42  -5.675   4.822   4.688
  353    H    GLY  43           H        GLY  43  -6.333   7.157   0.428
  354   1HA   GLY  43           HA3      GLY  43  -8.075   9.514   0.640
  355   2HA   GLY  43           HA2      GLY  43  -8.059   8.369  -0.693
  356    H    LYS  44           H        LYS  44  -4.979   9.321   0.426
  357    HA   LYS  44           HA       LYS  44  -4.623  11.707  -1.024
  358   1HB   LYS  44           HB2      LYS  44  -2.665   9.644  -0.020
  359   2HB   LYS  44           HB3      LYS  44  -2.172  11.147  -0.774
  360   1HG   LYS  44           HG2      LYS  44  -3.497  12.344   1.004
  361   2HG   LYS  44           HG3      LYS  44  -3.659  10.783   1.810
  362   1HD   LYS  44           HD2      LYS  44  -1.806  11.950   2.788
  363   2HD   LYS  44           HD3      LYS  44  -1.176  10.605   1.833
  364   1HE   LYS  44           HE2      LYS  44  -0.677  12.139  -0.003
  365   2HE   LYS  44           HE3      LYS  44  -1.318  13.483   0.942
  366   1HZ   LYS  44           HZ2      LYS  44   0.416  13.102   2.585
  367   2HZ   LYS  44           HZ1      LYS  44   1.032  11.820   1.671
  368   3HZ   LYS  44           HZ3      LYS  44   1.088  13.397   1.061
  369    H    ASP  45           H        ASP  45  -2.831  11.819  -2.763
  370    HA   ASP  45           HA       ASP  45  -3.759  10.348  -5.028
  371   1HB   ASP  45           HB2      ASP  45  -1.579  12.386  -4.605
  372   2HB   ASP  45           HB3      ASP  45  -1.856  11.617  -6.160
  373    H    VAL  46           H        VAL  46  -0.475  10.754  -3.738
  374    HA   VAL  46           HA       VAL  46   0.156   8.026  -4.652
  375    HB   VAL  46           HB       VAL  46   1.517   9.944  -5.560
  376   1HG1  VAL  46          1HG1      VAL  46   1.629  11.286  -3.531
  377   2HG1  VAL  46          3HG1      VAL  46   2.576  10.026  -2.742
  378   3HG1  VAL  46          2HG1      VAL  46   3.245  10.897  -4.121
  379   1HG2  VAL  46          1HG2      VAL  46   2.961   7.809  -3.991
  380   2HG2  VAL  46          3HG2      VAL  46   2.334   7.660  -5.633
  381   3HG2  VAL  46          2HG2      VAL  46   3.663   8.768  -5.294
  382    H    LEU  47           H        LEU  47   0.656   6.521  -3.295
  383    HA   LEU  47           HA       LEU  47   0.363   6.914  -0.482
  384   1HB   LEU  47           HB2      LEU  47   1.463   4.484  -1.879
  385   2HB   LEU  47           HB3      LEU  47   0.639   4.550  -0.336
  386    HG   LEU  47           HG       LEU  47  -0.611   5.039  -3.048
  387   1HD1  LEU  47          3HD1      LEU  47  -0.089   2.699  -2.644
  388   2HD1  LEU  47          2HD1      LEU  47  -0.958   2.765  -1.111
  389   3HD1  LEU  47          1HD1      LEU  47  -1.831   2.979  -2.627
  390   1HD2  LEU  47          3HD2      LEU  47  -1.832   5.056  -0.289
  391   2HD2  LEU  47          2HD2      LEU  47  -1.692   6.424  -1.393
  392   3HD2  LEU  47          1HD2      LEU  47  -2.746   5.070  -1.797
  393    H    SER  48           H        SER  48   2.982   5.466  -2.341
  394    HA   SER  48           HA       SER  48   5.026   5.615  -0.526
  395   1HB   SER  48           HB2      SER  48   6.505   5.322  -2.351
  396   2HB   SER  48           HB3      SER  48   4.995   4.582  -2.869
  397    HG   SER  48           HG       SER  48   5.913   5.947  -4.475
  398    H    ASP  49           H        ASP  49   7.067   7.068  -0.859
  399    HA   ASP  49           HA       ASP  49   6.430   9.823  -1.512
  400   1HB   ASP  49           HB2      ASP  49   7.106   8.932   1.285
  401   2HB   ASP  49           HB3      ASP  49   7.361  10.588   0.738
  402    H    GLU  50           H        GLU  50   8.976   9.066   0.718
  403    HA   GLU  50           HA       GLU  50  10.948   9.244  -1.456
  404   1HB   GLU  50           HB2      GLU  50  12.317  10.682  -0.065
  405   2HB   GLU  50           HB3      GLU  50  10.714  11.384  -0.251
  406   1HG   GLU  50           HG2      GLU  50  10.090  10.527   1.957
  407   2HG   GLU  50           HG3      GLU  50  11.720   9.882   2.152
  408    H    ILE  51           H        ILE  51  10.110   8.034   1.718
  409    HA   ILE  51           HA       ILE  51  12.573   6.668   2.192
  410    HB   ILE  51           HB       ILE  51   9.901   6.020   3.424
  411   1HG1  ILE  51          2HG1      ILE  51  10.370   8.457   3.535
  412   2HG1  ILE  51          3HG1      ILE  51  10.341   7.686   5.113
  413   1HG2  ILE  51          2HG2      ILE  51  12.730   5.708   4.415
  414   2HG2  ILE  51          1HG2      ILE  51  11.278   5.347   5.349
  415   3HG2  ILE  51          3HG2      ILE  51  11.646   4.416   3.898
  416   1HD1  ILE  51          3HD1      ILE  51  12.835   8.363   3.573
  417   2HD1  ILE  51          2HD1      ILE  51  12.149   9.331   4.880
  418   3HD1  ILE  51          1HD1      ILE  51  12.752   7.705   5.207
  419    H    LEU  52           H        LEU  52   9.347   5.219   1.895
  420    HA   LEU  52           HA       LEU  52  10.583   2.966   0.459
  421   1HB   LEU  52           HB2      LEU  52   8.014   3.117   2.036
  422   2HB   LEU  52           HB3      LEU  52   8.522   1.717   1.117
  423    HG   LEU  52           HG       LEU  52   9.920   2.866   3.529
  424   1HD1  LEU  52          1HD1      LEU  52   7.859   1.681   4.063
  425   2HD1  LEU  52          3HD1      LEU  52   8.408   0.289   3.130
  426   3HD1  LEU  52          2HD1      LEU  52   9.270   0.764   4.593
  427   1HD2  LEU  52          3HD2      LEU  52  10.620   0.468   1.844
  428   2HD2  LEU  52          2HD2      LEU  52  11.542   1.967   1.957
  429   3HD2  LEU  52          1HD2      LEU  52  11.392   0.916   3.365
  430    H    GLU  53           H        GLU  53  10.268   2.944  -1.678
  431    HA   GLU  53           HA       GLU  53   8.278   4.494  -2.983
  432   1HB   GLU  53           HB2      GLU  53  10.466   2.713  -3.742
  433   2HB   GLU  53           HB3      GLU  53   9.078   2.571  -4.811
  434   1HG   GLU  53           HG2      GLU  53   9.913   5.307  -4.159
  435   2HG   GLU  53           HG3      GLU  53  11.054   4.358  -5.111
  436    H    VAL  54           H        VAL  54   6.469   3.633  -1.650
  437    HA   VAL  54           HA       VAL  54   5.639   0.930  -2.063
  438    HB   VAL  54           HB       VAL  54   3.657   2.918  -1.108
  439   1HG1  VAL  54          2HG1      VAL  54   4.492   0.112  -0.449
  440   2HG1  VAL  54          1HG1      VAL  54   3.367   1.017   0.560
  441   3HG1  VAL  54          3HG1      VAL  54   2.965   0.682  -1.124
  442   1HG2  VAL  54          2HG2      VAL  54   6.089   2.128   0.495
  443   2HG2  VAL  54          1HG2      VAL  54   5.647   3.754  -0.024
  444   3HG2  VAL  54          3HG2      VAL  54   4.646   2.904   1.151
  445    H    VAL  55           H        VAL  55   5.377   0.622  -4.240
  446    HA   VAL  55           HA       VAL  55   3.388   2.215  -5.644
  447    HB   VAL  55           HB       VAL  55   4.931  -0.153  -6.683
  448   1HG1  VAL  55          3HG1      VAL  55   2.862   0.556  -7.886
  449   2HG1  VAL  55          2HG1      VAL  55   3.626   2.118  -8.175
  450   3HG1  VAL  55          1HG1      VAL  55   4.331   0.654  -8.861
  451   1HG2  VAL  55          2HG2      VAL  55   6.504   1.561  -5.935
  452   2HG2  VAL  55          1HG2      VAL  55   6.480   1.468  -7.696
  453   3HG2  VAL  55          3HG2      VAL  55   5.638   2.779  -6.871
  454    H    CYS  56           H        CYS  56   1.536   1.587  -4.553
  455    HA   CYS  56           HA       CYS  56   0.806  -1.251  -4.779
  456   1HB   CYS  56           HB2      CYS  56   0.759  -0.666  -2.495
  457   2HB   CYS  56           HB3      CYS  56  -0.033   0.870  -2.822
  458    HG   CYS  56           HG       CYS  56  -1.749  -0.986  -1.482
  459    H    LYS  57           H        LYS  57  -1.120  -1.865  -5.605
  460    HA   LYS  57           HA       LYS  57  -2.744   0.226  -6.881
  461   1HB   LYS  57           HB2      LYS  57  -2.389  -2.554  -7.973
  462   2HB   LYS  57           HB3      LYS  57  -3.088  -1.160  -8.778
  463   1HG   LYS  57           HG2      LYS  57  -0.898  -0.088  -8.847
  464   2HG   LYS  57           HG3      LYS  57  -0.190  -1.482  -8.028
  465   1HD   LYS  57           HD2      LYS  57  -0.858  -2.914  -9.903
  466   2HD   LYS  57           HD3      LYS  57  -1.546  -1.511 -10.724
  467   1HE   LYS  57           HE2      LYS  57   1.351  -1.873  -9.968
  468   2HE   LYS  57           HE3      LYS  57   0.676  -2.053 -11.587
  469   1HZ   LYS  57           HZ1      LYS  57   0.679   0.449  -9.986
  470   2HZ   LYS  57           HZ3      LYS  57   1.699   0.112 -11.294
  471   3HZ   LYS  57           HZ2      LYS  57   0.034   0.275 -11.539
  472    H    TYR  58           H        TYR  58  -4.653   0.321  -5.959
  473    HA   TYR  58           HA       TYR  58  -5.695  -1.931  -4.468
  474   1HB   TYR  58           HB2      TYR  58  -5.859   0.418  -3.595
  475   2HB   TYR  58           HB3      TYR  58  -6.959   0.787  -4.919
  476    HD1  TYR  58           HD1      TYR  58  -7.241   0.804  -1.745
  477    HD2  TYR  58           HD2      TYR  58  -8.581  -1.796  -4.853
  478    HE1  TYR  58           HE1      TYR  58  -9.153   0.105  -0.361
  479    HE2  TYR  58           HE2      TYR  58 -10.469  -2.515  -3.479
  480    HH   TYR  58           HH       TYR  58 -11.087  -2.587  -1.094
  481    H    THR  59           H        THR  59  -6.542  -3.491  -5.676
  482    HA   THR  59           HA       THR  59  -8.230  -2.764  -7.965
  483    HB   THR  59           HB       THR  59  -7.294  -5.555  -7.300
  484    HG1  THR  59           HG1      THR  59  -5.903  -4.142  -9.237
  485   1HG2  THR  59          2HG2      THR  59  -8.096  -4.201  -9.882
  486   2HG2  THR  59          1HG2      THR  59  -7.575  -5.878  -9.722
  487   3HG2  THR  59          3HG2      THR  59  -9.074  -5.345  -8.963
  488    HA   PRO  60           HA       PRO  60 -11.641  -3.941  -5.349
  489   1HB   PRO  60           HB2      PRO  60 -13.500  -3.208  -7.361
  490   2HB   PRO  60           HB3      PRO  60 -12.945  -2.227  -6.006
  491   1HG   PRO  60           HG2      PRO  60 -12.427  -1.722  -8.696
  492   2HG   PRO  60           HG3      PRO  60 -11.571  -1.008  -7.320
  493   1HD   PRO  60           HD2      PRO  60 -10.767  -3.270  -9.077
  494   2HD   PRO  60           HD3      PRO  60  -9.773  -2.022  -8.298
  495    H    THR  61           H        THR  61 -13.568  -5.286  -5.435
  496    HA   THR  61           HA       THR  61 -13.110  -7.838  -6.387
  497    HB   THR  61           HB       THR  61 -14.694  -7.512  -4.629
  498    HG1  THR  61           HG1      THR  61 -16.565  -8.294  -6.488
  499   1HG2  THR  61          3HG2      THR  61 -16.321  -5.956  -6.639
  500   2HG2  THR  61          2HG2      THR  61 -16.897  -6.442  -5.044
  501   3HG2  THR  61          1HG2      THR  61 -15.543  -5.321  -5.190
  502    HA   PRO  62           HA       PRO  62 -14.124  -7.866 -10.673
  503   1HB   PRO  62           HB2      PRO  62 -15.272 -10.551 -10.291
  504   2HB   PRO  62           HB3      PRO  62 -13.873 -10.056 -11.247
  505   1HG   PRO  62           HG2      PRO  62 -13.582 -11.440  -8.974
  506   2HG   PRO  62           HG3      PRO  62 -12.431 -10.174  -9.439
  507   1HD   PRO  62           HD2      PRO  62 -14.695 -10.041  -7.478
  508   2HD   PRO  62           HD3      PRO  62 -13.038  -9.421  -7.321
  509    H    SER  63           H        SER  63 -15.997  -8.626 -12.171
  510    HA   SER  63           HA       SER  63 -18.303  -7.169 -11.452
  511   1HB   SER  63           HB2      SER  63 -17.908  -9.174 -13.685
  512   2HB   SER  63           HB3      SER  63 -19.263  -8.054 -13.554
  513    HG   SER  63           HG       SER  63 -18.008  -6.440 -14.136
  514    H    SER  64           H        SER  64 -20.555  -8.293 -11.862
  515    HA   SER  64           HA       SER  64 -20.940 -10.078  -9.678
  516   1HB   SER  64           HB2      SER  64 -22.647  -8.434 -10.300
  517   2HB   SER  64           HB3      SER  64 -22.862  -9.230 -11.859
  518    HG   SER  64           HG       SER  64 -23.212 -11.150 -10.238
  519    H    THR  65           H        THR  65 -20.735 -10.462 -13.162
  520    HA   THR  65           HA       THR  65 -21.524 -13.243 -13.064
  521    HB   THR  65           HB       THR  65 -21.022 -13.248 -15.488
  522    HG1  THR  65           HG1      THR  65 -20.477 -11.188 -16.432
  523   1HG2  THR  65          3HG2      THR  65 -23.248 -12.592 -14.718
  524   2HG2  THR  65          2HG2      THR  65 -22.714 -10.917 -14.572
  525   3HG2  THR  65          1HG2      THR  65 -22.791 -11.684 -16.159
  526    HA   PRO  66           HA       PRO  66 -17.466 -14.946 -12.634
  527   1HB   PRO  66           HB2      PRO  66 -17.735 -17.330 -13.823
  528   2HB   PRO  66           HB3      PRO  66 -18.624 -16.943 -12.342
  529   1HG   PRO  66           HG2      PRO  66 -19.555 -16.797 -15.199
  530   2HG   PRO  66           HG3      PRO  66 -20.363 -17.555 -13.811
  531   1HD   PRO  66           HD2      PRO  66 -21.012 -15.083 -14.692
  532   2HD   PRO  66           HD3      PRO  66 -21.081 -15.519 -12.971
  533    H    MET  67           H        MET  67 -18.337 -13.498 -15.270
  534    HA   MET  67           HA       MET  67 -16.366 -14.621 -17.104
  535   1HB   MET  67           HB2      MET  67 -18.352 -12.381 -17.498
  536   2HB   MET  67           HB3      MET  67 -17.293 -13.028 -18.743
  537   1HG   MET  67           HG2      MET  67 -18.391 -15.197 -18.560
  538   2HG   MET  67           HG3      MET  67 -19.446 -14.559 -17.300
  539   1HE   MET  67           HE3      MET  67 -18.205 -12.739 -20.568
  540   2HE   MET  67           HE2      MET  67 -18.456 -14.404 -21.091
  541   3HE   MET  67           HE1      MET  67 -19.514 -13.125 -21.686
  542    H    VAL  68           H        VAL  68 -17.212 -11.246 -16.587
  543    HA   VAL  68           HA       VAL  68 -14.597 -10.300 -17.025
  544    HB   VAL  68           HB       VAL  68 -16.899  -8.924 -15.629
  545   1HG1  VAL  68          2HG1      VAL  68 -14.353  -7.796 -16.789
  546   2HG1  VAL  68          1HG1      VAL  68 -15.719  -6.839 -16.217
  547   3HG1  VAL  68          3HG1      VAL  68 -14.807  -7.836 -15.084
  548   1HG2  VAL  68          2HG2      VAL  68 -17.446  -9.617 -17.902
  549   2HG2  VAL  68          1HG2      VAL  68 -17.295  -7.863 -17.798
  550   3HG2  VAL  68          3HG2      VAL  68 -15.993  -8.819 -18.504
  551    H    GLY  69           H        GLY  69 -12.881 -10.394 -15.742
  552   1HA   GLY  69           HA3      GLY  69 -11.972 -11.353 -13.681
  553   2HA   GLY  69           HA2      GLY  69 -13.325 -10.625 -12.830
  554    H    VAL  70           H        VAL  70 -12.320  -9.264 -11.450
  555    HA   VAL  70           HA       VAL  70 -10.520  -7.255 -12.625
  556    HB   VAL  70           HB       VAL  70 -12.430  -6.814 -10.334
  557   1HG1  VAL  70          1HG1      VAL  70 -10.608  -4.926 -11.823
  558   2HG1  VAL  70          3HG1      VAL  70 -11.828  -4.434 -10.649
  559   3HG1  VAL  70          2HG1      VAL  70 -10.464  -5.428 -10.139
  560   1HG2  VAL  70          1HG2      VAL  70 -12.592  -5.883 -13.201
  561   2HG2  VAL  70          3HG2      VAL  70 -13.636  -7.079 -12.432
  562   3HG2  VAL  70          2HG2      VAL  70 -13.681  -5.398 -11.901
  563    H    GLY  71           H        GLY  71 -11.239  -7.360  -9.249
  564   1HA   GLY  71           HA3      GLY  71  -8.787  -7.167  -8.218
  565   2HA   GLY  71           HA2      GLY  71  -8.861  -8.879  -8.588
  566    H    GLY  72           H        GLY  72  -9.731  -6.398  -6.397
  567   1HA   GLY  72           HA3      GLY  72 -11.409  -8.276  -4.866
  568   2HA   GLY  72           HA2      GLY  72 -11.440  -6.528  -4.694
  569    H    ILE  73           H        ILE  73  -8.391  -6.624  -4.878
  570    HA   ILE  73           HA       ILE  73  -7.979  -7.153  -2.034
  571    HB   ILE  73           HB       ILE  73  -5.746  -8.108  -2.524
  572   1HG1  ILE  73          2HG1      ILE  73  -6.661  -8.719  -5.299
  573   2HG1  ILE  73          3HG1      ILE  73  -5.846  -7.193  -4.959
  574   1HG2  ILE  73          1HG2      ILE  73  -7.689  -9.498  -1.944
  575   2HG2  ILE  73          3HG2      ILE  73  -7.980  -9.747  -3.667
  576   3HG2  ILE  73          2HG2      ILE  73  -6.486 -10.332  -2.928
  577   1HD1  ILE  73          2HD1      ILE  73  -3.953  -8.452  -4.015
  578   2HD1  ILE  73          1HD1      ILE  73  -4.760  -9.955  -4.467
  579   3HD1  ILE  73          3HD1      ILE  73  -4.245  -8.820  -5.717
  580    H    TYR  74           H        TYR  74  -5.307  -6.624  -1.900
  581    HA   TYR  74           HA       TYR  74  -4.946  -3.951  -3.047
  582   1HB   TYR  74           HB2      TYR  74  -4.110  -4.454  -0.219
  583   2HB   TYR  74           HB3      TYR  74  -4.576  -2.942  -0.996
  584    HD1  TYR  74           HD1      TYR  74  -5.937  -6.133   0.340
  585    HD2  TYR  74           HD2      TYR  74  -6.782  -2.130  -0.818
  586    HE1  TYR  74           HE1      TYR  74  -8.177  -6.333   1.317
  587    HE2  TYR  74           HE2      TYR  74  -9.031  -2.327   0.165
  588    HH   TYR  74           HH       TYR  74 -10.644  -4.085   0.737
  589    H    VAL  75           H        VAL  75  -3.275  -4.508  -4.410
  590    HA   VAL  75           HA       VAL  75  -1.113  -6.167  -3.380
  591    HB   VAL  75           HB       VAL  75  -1.839  -6.737  -5.600
  592   1HG1  VAL  75          1HG1      VAL  75  -1.203  -3.891  -6.347
  593   2HG1  VAL  75          3HG1      VAL  75  -1.596  -5.175  -7.487
  594   3HG1  VAL  75          2HG1      VAL  75  -2.799  -4.643  -6.313
  595   1HG2  VAL  75          3HG2      VAL  75   0.533  -6.997  -5.125
  596   2HG2  VAL  75          2HG2      VAL  75   0.276  -6.582  -6.820
  597   3HG2  VAL  75          1HG2      VAL  75   0.838  -5.353  -5.687
  598    H    VAL  76           H        VAL  76   0.400  -5.218  -2.261
  599    HA   VAL  76           HA       VAL  76   1.155  -2.446  -2.896
  600    HB   VAL  76           HB       VAL  76   1.692  -4.009  -0.373
  601   1HG1  VAL  76          1HG1      VAL  76   2.049  -1.090  -1.027
  602   2HG1  VAL  76          3HG1      VAL  76   2.252  -1.810   0.571
  603   3HG1  VAL  76          2HG1      VAL  76   3.330  -2.271  -0.748
  604   1HG2  VAL  76          3HG2      VAL  76  -0.716  -3.571  -0.779
  605   2HG2  VAL  76          2HG2      VAL  76  -0.083  -2.759   0.654
  606   3HG2  VAL  76          1HG2      VAL  76  -0.355  -1.846  -0.830
  607    H    LEU  77           H        LEU  77   3.059  -2.056  -3.848
  608    HA   LEU  77           HA       LEU  77   5.201  -4.063  -3.603
  609   1HB   LEU  77           HB2      LEU  77   4.656  -2.023  -5.755
  610   2HB   LEU  77           HB3      LEU  77   6.154  -2.926  -5.651
  611    HG   LEU  77           HG       LEU  77   3.387  -4.085  -6.073
  612   1HD1  LEU  77          2HD1      LEU  77   4.249  -2.919  -8.033
  613   2HD1  LEU  77          1HD1      LEU  77   5.745  -3.849  -7.938
  614   3HD1  LEU  77          3HD1      LEU  77   4.221  -4.663  -8.295
  615   1HD2  LEU  77          3HD2      LEU  77   5.160  -5.427  -4.743
  616   2HD2  LEU  77          2HD2      LEU  77   4.303  -6.208  -6.074
  617   3HD2  LEU  77          1HD2      LEU  77   5.945  -5.611  -6.312
  618    H    VAL  78           H        VAL  78   6.180  -3.325  -1.741
  619    HA   VAL  78           HA       VAL  78   6.879  -0.490  -1.606
  620    HB   VAL  78           HB       VAL  78   7.870  -2.191   0.564
  621   1HG1  VAL  78          1HG1      VAL  78   7.827   0.297   0.546
  622   2HG1  VAL  78          3HG1      VAL  78   6.062   0.237   0.559
  623   3HG1  VAL  78          2HG1      VAL  78   6.982  -0.403   1.923
  624   1HG2  VAL  78          1HG2      VAL  78   5.830  -3.427   0.053
  625   2HG2  VAL  78          3HG2      VAL  78   5.675  -2.559   1.580
  626   3HG2  VAL  78          2HG2      VAL  78   4.897  -1.932   0.127
  627    H    LYS  79           H        LYS  79   8.636   0.121  -2.614
  628    HA   LYS  79           HA       LYS  79  10.958  -1.677  -2.686
  629   1HB   LYS  79           HB2      LYS  79   9.886   0.377  -4.554
  630   2HB   LYS  79           HB3      LYS  79  11.626   0.130  -4.515
  631   1HG   LYS  79           HG2      LYS  79  11.247  -2.279  -4.945
  632   2HG   LYS  79           HG3      LYS  79   9.511  -1.943  -5.115
  633   1HD   LYS  79           HD2      LYS  79  11.582  -0.506  -6.760
  634   2HD   LYS  79           HD3      LYS  79  10.929  -2.069  -7.252
  635   1HE   LYS  79           HE2      LYS  79   9.663  -0.376  -8.356
  636   2HE   LYS  79           HE3      LYS  79   8.643  -1.079  -7.104
  637   1HZ   LYS  79           HZ2      LYS  79  10.175   1.435  -6.747
  638   2HZ   LYS  79           HZ1      LYS  79   8.559   1.383  -7.243
  639   3HZ   LYS  79           HZ3      LYS  79   8.994   0.799  -5.717
  640    HA   PRO  80           HA       PRO  80  12.484   1.145   0.550
  641   1HB   PRO  80           HB2      PRO  80  14.863  -0.550  -0.060
  642   2HB   PRO  80           HB3      PRO  80  14.197  -0.067   1.504
  643   1HG   PRO  80           HG2      PRO  80  13.794  -2.522   0.551
  644   2HG   PRO  80           HG3      PRO  80  12.519  -1.662   1.429
  645   1HD   PRO  80           HD2      PRO  80  12.774  -2.205  -1.484
  646   2HD   PRO  80           HD3      PRO  80  11.318  -2.056  -0.483
  647    H    ARG  81           H        ARG  81  12.612   3.073  -0.582
  648    HA   ARG  81           HA       ARG  81  14.411   3.538  -2.721
  649   1HB   ARG  81           HB2      ARG  81  12.388   4.983  -1.312
  650   2HB   ARG  81           HB3      ARG  81  13.828   5.986  -1.412
  651   1HG   ARG  81           HG2      ARG  81  13.862   5.738  -3.820
  652   2HG   ARG  81           HG3      ARG  81  12.477   4.646  -3.743
  653   1HD   ARG  81           HD2      ARG  81  11.084   6.411  -2.873
  654   2HD   ARG  81           HD3      ARG  81  12.460   7.513  -2.814
  655    HE   ARG  81           HE       ARG  81  11.932   6.454  -5.435
  656   1HH1  ARG  81          1HH1      ARG  81  11.155   8.965  -3.148
  657   2HH1  ARG  81          2HH1      ARG  81  10.620  10.081  -4.359
  658   1HH2  ARG  81          1HH2      ARG  81  11.230   7.917  -7.037
  659   2HH2  ARG  81          2HH2      ARG  81  10.662   9.485  -6.570
  660    H    LYS  82           H        LYS  82  14.647   3.803   0.750
  661    HA   LYS  82           HA       LYS  82  17.438   4.701   0.457
  662   1HB   LYS  82           HB2      LYS  82  15.602   5.259   2.791
  663   2HB   LYS  82           HB3      LYS  82  17.246   5.846   2.592
  664   1HG   LYS  82           HG2      LYS  82  16.513   7.115   0.603
  665   2HG   LYS  82           HG3      LYS  82  14.858   6.587   0.916
  666   1HD   LYS  82           HD2      LYS  82  14.921   7.676   3.103
  667   2HD   LYS  82           HD3      LYS  82  16.575   8.206   2.794
  668   1HE   LYS  82           HE2      LYS  82  15.790   9.493   0.858
  669   2HE   LYS  82           HE3      LYS  82  14.137   8.982   1.198
  670   1HZ   LYS  82           HZ3      LYS  82  15.848  10.586   3.020
  671   2HZ   LYS  82           HZ2      LYS  82  14.593  11.195   2.064
  672   3HZ   LYS  82           HZ1      LYS  82  14.251  10.116   3.320
  673    H    ARG  83           H        ARG  83  18.762   4.108   2.470
  674    HA   ARG  83           HA       ARG  83  18.088   1.349   3.258
  675   1HB   ARG  83           HB2      ARG  83  20.826   2.594   2.947
  676   2HB   ARG  83           HB3      ARG  83  20.497   0.929   3.407
  677   1HG   ARG  83           HG2      ARG  83  19.583   0.441   1.255
  678   2HG   ARG  83           HG3      ARG  83  19.658   2.141   0.785
  679   1HD   ARG  83           HD2      ARG  83  22.096   2.078   0.952
  680   2HD   ARG  83           HD3      ARG  83  22.021   0.378   1.415
  681    HE   ARG  83           HE       ARG  83  20.692   0.703  -1.030
  682   1HH1  ARG  83          1HH1      ARG  83  23.911   0.854   0.297
  683   2HH1  ARG  83          2HH1      ARG  83  24.682   0.402  -1.186
  684   1HH2  ARG  83          1HH2      ARG  83  21.699   0.107  -2.987
  685   2HH2  ARG  83          2HH2      ARG  83  23.426  -0.023  -3.053
  686    H    GLY  84           H        GLY  84  17.864   0.936   5.368
  687   1HA   GLY  84           HA3      GLY  84  18.621   3.064   7.261
  688   2HA   GLY  84           HA2      GLY  84  19.083   1.399   7.581
  689    H    HIS  85           H        HIS  85  17.413   3.132   9.204
  690    HA   HIS  85           HA       HIS  85  15.349   1.296   9.806
  691   1HB   HIS  85           HB2      HIS  85  16.356   2.774  11.493
  692   2HB   HIS  85           HB3      HIS  85  15.642   4.168  10.693
  693    HD1  HIS  85           HD1      HIS  85  13.266   4.749  11.283
  694    HD2  HIS  85           HD2      HIS  85  14.433   1.047  12.764
  695    HE1  HIS  85           HE1      HIS  85  11.407   4.020  12.810
  696    HE2  HIS  85           HE2      HIS  85  12.175   1.818  13.762
  697    H    HIS  86           H        HIS  86  13.760   0.946   8.445
  698    HA   HIS  86           HA       HIS  86  12.132   3.216   7.562
  699   1HB   HIS  86           HB2      HIS  86  13.048   0.966   5.753
  700   2HB   HIS  86           HB3      HIS  86  11.896   2.225   5.313
  701    HD1  HIS  86           HD1      HIS  86  13.437   4.654   6.498
  702    HD2  HIS  86           HD2      HIS  86  15.131   1.698   4.122
  703    HE1  HIS  86           HE1      HIS  86  15.486   5.700   5.484
  704    HE2  HIS  86           HE2      HIS  86  16.545   3.862   4.125
  705    H    THR  87           H        THR  87   9.942   2.562   6.872
  706    HA   THR  87           HA       THR  87   9.034  -0.083   7.551
  707    HB   THR  87           HB       THR  87   8.159   2.237   9.279
  708    HG1  THR  87           HG1      THR  87   9.694  -0.097   9.846
  709   1HG2  THR  87          3HG2      THR  87   6.333   0.671   8.777
  710   2HG2  THR  87          2HG2      THR  87   7.331  -0.666   9.348
  711   3HG2  THR  87          1HG2      THR  87   6.814   0.591  10.472
  712    H    LEU  88           H        LEU  88   6.940  -0.519   6.860
  713    HA   LEU  88           HA       LEU  88   5.721   1.573   5.186
  714   1HB   LEU  88           HB2      LEU  88   6.569  -0.598   4.129
  715   2HB   LEU  88           HB3      LEU  88   5.260  -1.389   4.967
  716    HG   LEU  88           HG       LEU  88   5.217  -0.006   2.456
  717   1HD1  LEU  88          3HD1      LEU  88   3.176  -1.607   3.970
  718   2HD1  LEU  88          2HD1      LEU  88   3.053  -1.144   2.272
  719   3HD1  LEU  88          1HD1      LEU  88   4.345  -2.221   2.801
  720   1HD2  LEU  88          3HD2      LEU  88   4.449   1.928   3.717
  721   2HD2  LEU  88          2HD2      LEU  88   3.166   1.255   2.713
  722   3HD2  LEU  88          1HD2      LEU  88   3.179   0.947   4.448
  723    H    GLU  89           H        GLU  89   4.250   2.526   6.482
  724    HA   GLU  89           HA       GLU  89   2.675   1.058   8.370
  725   1HB   GLU  89           HB2      GLU  89   2.564   3.925   7.440
  726   2HB   GLU  89           HB3      GLU  89   1.591   3.268   8.748
  727   1HG   GLU  89           HG2      GLU  89   3.518   2.808  10.048
  728   2HG   GLU  89           HG3      GLU  89   4.591   3.229   8.716
  729    H    LEU  90           H        LEU  90   0.986  -0.134   7.827
  730    HA   LEU  90           HA       LEU  90  -0.836   0.894   5.749
  731   1HB   LEU  90           HB2      LEU  90  -0.401  -2.016   6.426
  732   2HB   LEU  90           HB3      LEU  90  -1.424  -1.375   5.157
  733    HG   LEU  90           HG       LEU  90   1.586  -1.365   5.262
  734   1HD1  LEU  90          2HD1      LEU  90   0.485  -3.444   4.533
  735   2HD1  LEU  90          1HD1      LEU  90  -0.354  -2.539   3.275
  736   3HD1  LEU  90          3HD1      LEU  90   1.404  -2.678   3.239
  737   1HD2  LEU  90          2HD2      LEU  90   0.676   0.800   4.420
  738   2HD2  LEU  90          1HD2      LEU  90   1.605  -0.110   3.231
  739   3HD2  LEU  90          3HD2      LEU  90  -0.156  -0.102   3.156
  740    H    VAL  91           H        VAL  91  -3.089   0.529   6.112
  741    HA   VAL  91           HA       VAL  91  -3.895  -0.467   8.713
  742    HB   VAL  91           HB       VAL  91  -3.262   1.818   9.247
  743   1HG1  VAL  91          2HG1      VAL  91  -5.178   2.599   7.052
  744   2HG1  VAL  91          1HG1      VAL  91  -4.464   3.722   8.212
  745   3HG1  VAL  91          3HG1      VAL  91  -3.429   2.847   7.083
  746   1HG2  VAL  91          2HG2      VAL  91  -6.243   1.389   9.189
  747   2HG2  VAL  91          1HG2      VAL  91  -5.125   0.956  10.482
  748   3HG2  VAL  91          3HG2      VAL  91  -5.435   2.652  10.116
  749    H    TYR  92           H        TYR  92  -6.147  -0.753   8.930
  750    HA   TYR  92           HA       TYR  92  -7.608  -0.849   6.386
  751   1HB   TYR  92           HB2      TYR  92  -7.292  -2.900   7.926
  752   2HB   TYR  92           HB3      TYR  92  -8.468  -2.124   8.980
  753    HD1  TYR  92           HD1      TYR  92 -10.376  -3.437   8.864
  754    HD2  TYR  92           HD2      TYR  92  -8.392  -2.363   5.257
  755    HE1  TYR  92           HE1      TYR  92 -12.200  -4.452   7.566
  756    HE2  TYR  92           HE2      TYR  92 -10.212  -3.374   3.948
  757    HH   TYR  92           HH       TYR  92 -13.179  -4.288   5.326
  758    H    THR  93           H        THR  93  -8.327   1.269   6.223
  759    HA   THR  93           HA       THR  93 -10.160   2.187   8.350
  760    HB   THR  93           HB       THR  93  -8.114   3.500   8.400
  761    HG1  THR  93           HG1      THR  93  -9.837   5.283   7.130
  762   1HG2  THR  93          2HG2      THR  93  -8.624   3.636   5.465
  763   2HG2  THR  93          1HG2      THR  93  -7.860   5.021   6.252
  764   3HG2  THR  93          3HG2      THR  93  -7.106   3.429   6.340
  765    H    ARG  94           H        ARG  94 -11.711   3.851   7.625
  766    HA   ARG  94           HA       ARG  94 -12.753   3.199   4.965
  767   1HB   ARG  94           HB2      ARG  94 -14.076   4.710   7.229
  768   2HB   ARG  94           HB3      ARG  94 -14.847   4.196   5.735
  769   1HG   ARG  94           HG2      ARG  94 -14.459   1.850   6.370
  770   2HG   ARG  94           HG3      ARG  94 -13.764   2.403   7.895
  771   1HD   ARG  94           HD2      ARG  94 -16.094   1.741   8.180
  772   2HD   ARG  94           HD3      ARG  94 -15.877   3.464   8.487
  773    HE   ARG  94           HE       ARG  94 -16.596   3.129   5.804
  774   1HH1  ARG  94          1HH1      ARG  94 -17.963   2.740   8.985
  775   2HH1  ARG  94          2HH1      ARG  94 -19.588   3.039   8.464
  776   1HH2  ARG  94          1HH2      ARG  94 -18.731   3.525   5.109
  777   2HH2  ARG  94          2HH2      ARG  94 -20.023   3.485   6.261
  778    HA   PRO  95           HA       PRO  95 -10.544   7.049   3.798
  779   1HB   PRO  95           HB2      PRO  95 -12.065   6.284   1.338
  780   2HB   PRO  95           HB3      PRO  95 -10.403   6.866   1.496
  781   1HG   PRO  95           HG2      PRO  95 -10.895   4.278   1.111
  782   2HG   PRO  95           HG3      PRO  95  -9.615   4.801   2.217
  783   1HD   PRO  95           HD2      PRO  95 -12.293   3.672   2.825
  784   2HD   PRO  95           HD3      PRO  95 -10.774   3.537   3.726
  785    H    PHE  96           H        PHE  96 -13.937   6.287   3.013
  786    HA   PHE  96           HA       PHE  96 -14.620   9.073   2.772
  787   1HB   PHE  96           HB2      PHE  96 -16.226   6.526   2.610
  788   2HB   PHE  96           HB3      PHE  96 -16.898   8.125   2.366
  789    HD1  PHE  96           HD1      PHE  96 -14.511   5.663   1.037
  790    HD2  PHE  96           HD2      PHE  96 -16.645   9.273   0.313
  791    HE1  PHE  96           HE1      PHE  96 -13.866   5.562  -1.334
  792    HE2  PHE  96           HE2      PHE  96 -16.004   9.179  -2.062
  793    HZ   PHE  96           HZ       PHE  96 -14.613   7.322  -2.888
  794    H    GLU  97           H        GLU  97 -13.806   7.689   5.427
  795    HA   GLU  97           HA       GLU  97 -15.814   9.050   7.026
  796   1HB   GLU  97           HB2      GLU  97 -15.287   6.090   7.231
  797   2HB   GLU  97           HB3      GLU  97 -15.991   7.015   8.550
  798   1HG   GLU  97           HG2      GLU  97 -17.172   6.864   5.789
  799   2HG   GLU  97           HG3      GLU  97 -17.631   5.806   7.122
  800    H    GLY  98           H        GLY  98 -12.660   8.410   6.408
  801   1HA   GLY  98           HA3      GLY  98 -11.841   9.497   8.972
  802   2HA   GLY  98           HA2      GLY  98 -10.810   9.246   7.570
  803    H    ILE  99           H        ILE  99  -9.589   8.585   9.730
  804    HA   ILE  99           HA       ILE  99  -9.739   5.652   9.810
  805    HB   ILE  99           HB       ILE  99  -7.347   7.255  10.650
  806   1HG1  ILE  99          2HG1      ILE  99  -7.863   6.210   7.859
  807   2HG1  ILE  99          3HG1      ILE  99  -8.081   7.895   8.321
  808   1HG2  ILE  99          1HG2      ILE  99  -7.963   4.417   9.996
  809   2HG2  ILE  99          3HG2      ILE  99  -6.343   5.027   9.653
  810   3HG2  ILE  99          2HG2      ILE  99  -6.978   5.090  11.297
  811   1HD1  ILE  99          1HD1      ILE  99  -5.710   8.041   8.890
  812   2HD1  ILE  99          3HD1      ILE  99  -5.494   6.355   8.422
  813   3HD1  ILE  99          2HD1      ILE  99  -5.949   7.555   7.211
  814    H    LYS 100           H        LYS 100  -9.415   4.545  11.761
  815    HA   LYS 100           HA       LYS 100  -9.776   6.135  14.209
  816   1HB   LYS 100           HB2      LYS 100 -11.105   3.488  13.622
  817   2HB   LYS 100           HB3      LYS 100 -11.335   4.482  15.042
  818   1HG   LYS 100           HG2      LYS 100 -12.371   6.217  13.694
  819   2HG   LYS 100           HG3      LYS 100 -12.099   5.257  12.238
  820   1HD   LYS 100           HD2      LYS 100 -13.419   3.570  14.055
  821   2HD   LYS 100           HD3      LYS 100 -14.257   5.122  14.125
  822   1HE   LYS 100           HE2      LYS 100 -14.491   5.101  11.688
  823   2HE   LYS 100           HE3      LYS 100 -13.660   3.548  11.624
  824   1HZ   LYS 100           HZ2      LYS 100 -15.446   2.580  12.934
  825   2HZ   LYS 100           HZ1      LYS 100 -16.245   4.069  12.990
  826   3HZ   LYS 100           HZ3      LYS 100 -16.052   3.267  11.512
  827    HA   PRO 101           HA       PRO 101  -6.590   3.669  16.017
  828   1HB   PRO 101           HB2      PRO 101  -8.023   3.246  18.507
  829   2HB   PRO 101           HB3      PRO 101  -6.663   4.318  18.184
  830   1HG   PRO 101           HG2      PRO 101  -9.181   5.202  18.730
  831   2HG   PRO 101           HG3      PRO 101  -8.016   6.101  17.746
  832   1HD   PRO 101           HD2      PRO 101 -10.332   4.418  16.876
  833   2HD   PRO 101           HD3      PRO 101  -9.749   5.960  16.219
  834    H    GLU 102           H        GLU 102  -9.825   2.366  16.683
  835    HA   GLU 102           HA       GLU 102  -9.037  -0.248  17.308
  836   1HB   GLU 102           HB2      GLU 102 -11.397  -0.849  16.730
  837   2HB   GLU 102           HB3      GLU 102 -11.231   0.460  17.895
  838   1HG   GLU 102           HG2      GLU 102 -11.589   2.081  16.118
  839   2HG   GLU 102           HG3      GLU 102 -11.770   0.768  14.959
  840    H    ASN 103           H        ASN 103  -9.351   1.387  14.288
  841    HA   ASN 103           HA       ASN 103  -9.813  -0.624  12.475
  842   1HB   ASN 103           HB2      ASN 103  -8.020   1.791  12.316
  843   2HB   ASN 103           HB3      ASN 103  -8.263   0.721  10.940
  844   1HD2  ASN 103          1HD2      ASN 103 -10.859   1.175  13.162
  845   2HD2  ASN 103          2HD2      ASN 103 -11.825   2.192  12.155
  846    H    GLU 104           H        GLU 104  -8.522  -2.059  11.280
  847    HA   GLU 104           HA       GLU 104  -6.573  -3.447  12.721
  848   1HB   GLU 104           HB2      GLU 104  -7.805  -3.585  10.072
  849   2HB   GLU 104           HB3      GLU 104  -6.170  -4.214  10.134
  850   1HG   GLU 104           HG2      GLU 104  -7.522  -6.057  10.566
  851   2HG   GLU 104           HG3      GLU 104  -6.946  -5.556  12.152
  852    H    ARG 105           H        ARG 105  -4.359  -3.942  11.863
  853    HA   ARG 105           HA       ARG 105  -3.050  -1.570  10.715
  854   1HB   ARG 105           HB2      ARG 105  -2.793  -1.439  13.140
  855   2HB   ARG 105           HB3      ARG 105  -2.178  -3.081  13.187
  856   1HG   ARG 105           HG2      ARG 105  -0.198  -1.978  13.290
  857   2HG   ARG 105           HG3      ARG 105  -0.383  -2.050  11.533
  858   1HD   ARG 105           HD2      ARG 105   0.213   0.191  12.142
  859   2HD   ARG 105           HD3      ARG 105  -1.463   0.174  11.588
  860    HE   ARG 105           HE       ARG 105  -1.491  -0.153  14.348
  861   1HH1  ARG 105          1HH1      ARG 105  -0.567   2.270  12.019
  862   2HH1  ARG 105          2HH1      ARG 105  -0.894   3.600  13.079
  863   1HH2  ARG 105          1HH2      ARG 105  -1.924   1.594  15.752
  864   2HH2  ARG 105          2HH2      ARG 105  -1.665   3.217  15.201
  865    H    TYR 106           H        TYR 106  -0.864  -2.008   9.932
  866    HA   TYR 106           HA       TYR 106   0.242  -4.592   9.745
  867   1HB   TYR 106           HB2      TYR 106  -1.678  -4.854   8.148
  868   2HB   TYR 106           HB3      TYR 106  -0.948  -3.599   7.147
  869    HD1  TYR 106           HD1      TYR 106  -0.974  -7.066   8.059
  870    HD2  TYR 106           HD2      TYR 106   1.336  -4.056   6.140
  871    HE1  TYR 106           HE1      TYR 106   0.363  -8.801   6.963
  872    HE2  TYR 106           HE2      TYR 106   2.685  -5.788   5.035
  873    HH   TYR 106           HH       TYR 106   3.291  -8.151   5.382
  874    H    THR 107           H        THR 107   1.908  -3.243  10.545
  875    HA   THR 107           HA       THR 107   3.038  -1.296   8.677
  876    HB   THR 107           HB       THR 107   4.451  -1.653  11.212
  877    HG1  THR 107           HG1      THR 107   1.665  -1.163  11.165
  878   1HG2  THR 107          2HG2      THR 107   4.607   0.263   9.557
  879   2HG2  THR 107          1HG2      THR 107   3.026   0.775  10.143
  880   3HG2  THR 107          3HG2      THR 107   4.398   0.716  11.249
  881    H    LEU 108           H        LEU 108   4.061  -2.571   7.139
  882    HA   LEU 108           HA       LEU 108   5.724  -4.776   7.765
  883   1HB   LEU 108           HB2      LEU 108   4.707  -4.386   5.535
  884   2HB   LEU 108           HB3      LEU 108   5.779  -3.025   5.311
  885    HG   LEU 108           HG       LEU 108   7.720  -4.553   5.435
  886   1HD1  LEU 108          1HD1      LEU 108   5.611  -6.707   5.457
  887   2HD1  LEU 108          3HD1      LEU 108   7.346  -6.963   5.264
  888   3HD1  LEU 108          2HD1      LEU 108   6.712  -6.316   6.779
  889   1HD2  LEU 108          3HD2      LEU 108   6.732  -3.894   3.285
  890   2HD2  LEU 108          2HD2      LEU 108   7.430  -5.513   3.232
  891   3HD2  LEU 108          1HD2      LEU 108   5.682  -5.309   3.347
  892    H    HIS 109           H        HIS 109   7.044  -3.968   9.470
  893    HA   HIS 109           HA       HIS 109   8.813  -1.775   9.102
  894   1HB   HIS 109           HB2      HIS 109   8.517  -3.930  11.131
  895   2HB   HIS 109           HB3      HIS 109   9.993  -2.972  11.106
  896    HD1  HIS 109           HD1      HIS 109   9.863  -0.589  11.977
  897    HD2  HIS 109           HD2      HIS 109   6.167  -2.478  11.800
  898    HE1  HIS 109           HE1      HIS 109   8.275   0.930  13.197
  899    HE2  HIS 109           HE2      HIS 109   6.062  -0.277  13.154
  900    H    LEU 110           H        LEU 110  10.854  -1.689   8.425
  901    HA   LEU 110           HA       LEU 110  12.265  -4.131   7.691
  902   1HB   LEU 110           HB2      LEU 110  11.678  -1.882   5.767
  903   2HB   LEU 110           HB3      LEU 110  12.770  -3.212   5.440
  904    HG   LEU 110           HG       LEU 110   9.791  -3.459   5.920
  905   1HD1  LEU 110          1HD1      LEU 110  10.293  -2.368   3.803
  906   2HD1  LEU 110          3HD1      LEU 110  11.396  -3.677   3.377
  907   3HD1  LEU 110          2HD1      LEU 110   9.669  -3.997   3.540
  908   1HD2  LEU 110          1HD2      LEU 110  11.189  -5.414   6.628
  909   2HD2  LEU 110          3HD2      LEU 110  10.008  -5.760   5.366
  910   3HD2  LEU 110          2HD2      LEU 110  11.709  -5.563   4.951
  911    H    ASN 111           H        ASN 111  14.112  -3.890   8.801
  912    HA   ASN 111           HA       ASN 111  15.323  -1.280   9.140
  913   1HB   ASN 111           HB2      ASN 111  15.305  -2.977  10.980
  914   2HB   ASN 111           HB3      ASN 111  16.357  -3.992  10.003
  915   1HD2  ASN 111          1HD2      ASN 111  18.009  -3.949  11.500
  916   2HD2  ASN 111          2HD2      ASN 111  18.975  -2.543  11.775
  917    H    VAL 112           H        VAL 112  15.187  -1.589   6.601
  918    HA   VAL 112           HA       VAL 112  16.732  -3.026   4.979
  919    HB   VAL 112           HB       VAL 112  16.873  -0.054   4.627
  920   1HG1  VAL 112          2HG1      VAL 112  17.858  -1.538   2.944
  921   2HG1  VAL 112          1HG1      VAL 112  16.290  -2.318   2.732
  922   3HG1  VAL 112          3HG1      VAL 112  16.497  -0.622   2.298
  923   1HG2  VAL 112          2HG2      VAL 112  14.392  -1.749   4.486
  924   2HG2  VAL 112          1HG2      VAL 112  14.651  -0.271   5.411
  925   3HG2  VAL 112          3HG2      VAL 112  14.548  -0.204   3.652
  926    H    LYS 113           H        LYS 113  18.837  -3.330   4.471
  927    HA   LYS 113           HA       LYS 113  20.832  -2.379   6.294
  928   1HB   LYS 113           HB2      LYS 113  21.096  -4.020   3.770
  929   2HB   LYS 113           HB3      LYS 113  22.383  -3.737   4.932
  930   1HG   LYS 113           HG2      LYS 113  19.830  -4.947   5.874
  931   2HG   LYS 113           HG3      LYS 113  20.982  -5.944   4.984
  932   1HD   LYS 113           HD2      LYS 113  21.566  -6.270   7.222
  933   2HD   LYS 113           HD3      LYS 113  22.728  -5.073   6.649
  934   1HE   LYS 113           HE2      LYS 113  21.428  -3.289   7.654
  935   2HE   LYS 113           HE3      LYS 113  20.196  -4.443   8.161
  936   1HZ   LYS 113           HZ1      LYS 113  21.836  -5.514   9.578
  937   2HZ   LYS 113           HZ3      LYS 113  23.017  -4.402   9.091
  938   3HZ   LYS 113           HZ2      LYS 113  21.677  -3.878   9.979

  No H/Q in entry =         938
  Start of MODEL   27
    1    H1   GLY  -2           HT2      GLY  -2 -14.915   5.251  27.204
    2    H2   GLY  -2           HT1      GLY  -2 -16.562   5.630  27.136
    3    H3   GLY  -2           HT3      GLY  -2 -15.656   6.033  28.507
    4   1HA   GLY  -2           HA2      GLY  -2 -17.025   4.101  28.949
    5   2HA   GLY  -2           HA3      GLY  -2 -15.313   3.707  29.022
    6    H    SER  -1           H        SER  -1 -14.439   3.126  26.690
    7    HA   SER  -1           HA       SER  -1 -16.191   0.979  25.731
    8   1HB   SER  -1           HB2      SER  -1 -16.472   2.828  24.150
    9   2HB   SER  -1           HB3      SER  -1 -14.724   2.931  23.939
   10    HG   SER  -1           HG       SER  -1 -16.405   1.432  22.594
   11    H    HIS   0           H        HIS   0 -15.163  -0.903  25.718
   12    HA   HIS   0           HA       HIS   0 -12.317  -1.007  26.176
   13   1HB   HIS   0           HB2      HIS   0 -14.331  -3.234  25.798
   14   2HB   HIS   0           HB3      HIS   0 -12.663  -3.446  26.321
   15    HD1  HIS   0           HD1      HIS   0 -12.159  -3.101  28.769
   16    HD2  HIS   0           HD2      HIS   0 -16.014  -1.945  27.733
   17    HE1  HIS   0           HE1      HIS   0 -13.335  -2.654  30.946
   18    HE2  HIS   0           HE2      HIS   0 -15.690  -2.038  30.298
   19    H    MET   1           H        MET   1 -10.859  -2.322  24.883
   20    HA   MET   1           HA       MET   1 -11.652  -2.587  22.067
   21   1HB   MET   1           HB2      MET   1  -9.096  -1.315  23.058
   22   2HB   MET   1           HB3      MET   1  -9.459  -1.677  21.377
   23   1HG   MET   1           HG2      MET   1 -11.348  -0.132  21.451
   24   2HG   MET   1           HG3      MET   1 -10.983   0.231  23.137
   25   1HE   MET   1           HE1      MET   1 -10.937   2.827  22.565
   26   2HE   MET   1           HE3      MET   1  -9.946   3.528  21.284
   27   3HE   MET   1           HE2      MET   1 -11.294   2.467  20.876
   28    H    ILE   2           H        ILE   2 -10.016  -3.883  20.811
   29    HA   ILE   2           HA       ILE   2  -9.210  -6.183  22.436
   30    HB   ILE   2           HB       ILE   2  -9.445  -5.950  19.430
   31   1HG1  ILE   2          2HG1      ILE   2 -11.396  -7.601  19.933
   32   2HG1  ILE   2          3HG1      ILE   2 -11.322  -6.932  21.560
   33   1HG2  ILE   2          1HG2      ILE   2  -8.969  -8.349  21.191
   34   2HG2  ILE   2          3HG2      ILE   2  -9.278  -8.406  19.455
   35   3HG2  ILE   2          2HG2      ILE   2  -7.819  -7.627  20.066
   36   1HD1  ILE   2          1HD1      ILE   2 -11.757  -5.331  19.052
   37   2HD1  ILE   2          3HD1      ILE   2 -13.020  -5.851  20.168
   38   3HD1  ILE   2          2HD1      ILE   2 -11.778  -4.720  20.707
   39    H    ALA   3           H        ALA   3  -7.934  -3.542  20.669
   40    HA   ALA   3           HA       ALA   3  -5.823  -2.779  20.334
   41   1HB   ALA   3           HB2      ALA   3  -5.456  -3.435  22.673
   42   2HB   ALA   3           HB3      ALA   3  -4.005  -3.634  21.691
   43   3HB   ALA   3           HB1      ALA   3  -4.968  -5.043  22.135
   44    HA   PRO   4           HA       PRO   4  -4.356  -4.926  16.778
   45   1HB   PRO   4           HB2      PRO   4  -1.650  -3.929  17.481
   46   2HB   PRO   4           HB3      PRO   4  -2.578  -3.710  15.995
   47   1HG   PRO   4           HG2      PRO   4  -2.281  -1.706  17.727
   48   2HG   PRO   4           HG3      PRO   4  -3.814  -1.954  16.872
   49   1HD   PRO   4           HD2      PRO   4  -3.087  -2.620  19.697
   50   2HD   PRO   4           HD3      PRO   4  -4.608  -1.975  19.045
   51    H    LEU   5           H        LEU   5  -2.984  -6.658  16.092
   52    HA   LEU   5           HA       LEU   5  -2.027  -8.704  16.332
   53   1HB   LEU   5           HB2      LEU   5  -0.099  -7.347  17.002
   54   2HB   LEU   5           HB3      LEU   5  -0.658  -7.364  18.664
   55    HG   LEU   5           HG       LEU   5  -0.365  -9.844  18.679
   56   1HD1  LEU   5          3HD1      LEU   5   0.943  -9.352  16.008
   57   2HD1  LEU   5          2HD1      LEU   5   0.975 -10.868  16.910
   58   3HD1  LEU   5          1HD1      LEU   5  -0.553 -10.245  16.286
   59   1HD2  LEU   5          3HD2      LEU   5   2.084  -8.219  18.010
   60   2HD2  LEU   5          2HD2      LEU   5   1.341  -8.377  19.603
   61   3HD2  LEU   5          1HD2      LEU   5   2.075  -9.782  18.828
   62    H    SER   6           H        SER   6  -3.819  -9.921  16.830
   63    HA   SER   6           HA       SER   6  -3.852 -11.166  19.382
   64   1HB   SER   6           HB2      SER   6  -5.017  -9.114  20.037
   65   2HB   SER   6           HB3      SER   6  -6.183  -9.345  18.735
   66    HG   SER   6           HG       SER   6  -6.779 -11.325  19.772
   67    H    VAL   7           H        VAL   7  -5.560 -10.492  16.374
   68    HA   VAL   7           HA       VAL   7  -6.104 -13.352  16.105
   69    HB   VAL   7           HB       VAL   7  -8.145 -12.203  17.050
   70   1HG1  VAL   7          3HG1      VAL   7  -7.953 -10.097  15.840
   71   2HG1  VAL   7          2HG1      VAL   7  -8.229 -10.937  14.314
   72   3HG1  VAL   7          1HG1      VAL   7  -9.508 -10.865  15.525
   73   1HG2  VAL   7          2HG2      VAL   7  -8.245 -14.341  15.833
   74   2HG2  VAL   7          1HG2      VAL   7  -9.699 -13.369  15.608
   75   3HG2  VAL   7          3HG2      VAL   7  -8.490 -13.455  14.329
   76    H    LYS   8           H        LYS   8  -4.400 -11.094  14.873
   77    HA   LYS   8           HA       LYS   8  -4.601 -12.039  12.186
   78   1HB   LYS   8           HB2      LYS   8  -5.208 -10.089  11.088
   79   2HB   LYS   8           HB3      LYS   8  -6.285 -10.075  12.470
   80   1HG   LYS   8           HG2      LYS   8  -3.740  -8.495  12.175
   81   2HG   LYS   8           HG3      LYS   8  -5.387  -7.869  12.074
   82   1HD   LYS   8           HD2      LYS   8  -4.241  -9.212  14.512
   83   2HD   LYS   8           HD3      LYS   8  -4.260  -7.465  14.266
   84   1HE   LYS   8           HE2      LYS   8  -6.699  -7.510  14.118
   85   2HE   LYS   8           HE3      LYS   8  -6.684  -9.257  14.353
   86   1HZ   LYS   8           HZ2      LYS   8  -5.700  -8.914  16.537
   87   2HZ   LYS   8           HZ1      LYS   8  -5.728  -7.239  16.310
   88   3HZ   LYS   8           HZ3      LYS   8  -7.179  -8.102  16.410
   89    H    ASP   9           H        ASP   9  -2.775 -11.550  10.984
   90    HA   ASP   9           HA       ASP   9  -0.470 -10.757  12.586
   91   1HB   ASP   9           HB2      ASP   9  -0.383 -12.884  11.282
   92   2HB   ASP   9           HB3      ASP   9  -0.533 -11.944   9.802
   93    H    ASN  10           H        ASN  10   0.211  -8.709  12.480
   94    HA   ASN  10           HA       ASN  10  -0.205  -7.248   9.977
   95   1HB   ASN  10           HB2      ASN  10  -0.399  -5.220  11.605
   96   2HB   ASN  10           HB3      ASN  10  -1.793  -6.241  11.298
   97   1HD2  ASN  10          1HD2      ASN  10  -1.125  -4.509  13.547
   98   2HD2  ASN  10          2HD2      ASN  10  -1.181  -5.519  14.941
   99    H    ASP  11           H        ASP  11   1.150  -5.788  12.772
  100    HA   ASP  11           HA       ASP  11   3.316  -4.659  11.574
  101   1HB   ASP  11           HB2      ASP  11   3.224  -5.553  14.454
  102   2HB   ASP  11           HB3      ASP  11   4.186  -4.246  13.777
  103    H    LYS  12           H        LYS  12   4.543  -5.903  10.278
  104    HA   LYS  12           HA       LYS  12   5.908  -8.214  11.443
  105   1HB   LYS  12           HB2      LYS  12   4.934  -8.781   9.357
  106   2HB   LYS  12           HB3      LYS  12   5.496  -7.296   8.601
  107   1HG   LYS  12           HG2      LYS  12   7.783  -8.073   8.725
  108   2HG   LYS  12           HG3      LYS  12   7.258  -9.551   9.533
  109   1HD   LYS  12           HD2      LYS  12   6.098 -10.294   7.592
  110   2HD   LYS  12           HD3      LYS  12   6.301  -8.731   6.798
  111   1HE   LYS  12           HE2      LYS  12   7.878 -10.274   5.855
  112   2HE   LYS  12           HE3      LYS  12   8.756  -9.096   6.831
  113   1HZ   LYS  12           HZ2      LYS  12   8.863 -10.714   8.623
  114   2HZ   LYS  12           HZ1      LYS  12   8.023 -11.845   7.686
  115   3HZ   LYS  12           HZ3      LYS  12   9.567 -11.334   7.215
  116    H    TRP  13           H        TRP  13   7.439  -7.225  12.691
  117    HA   TRP  13           HA       TRP  13   9.141  -5.152  11.676
  118   1HB   TRP  13           HB2      TRP  13   9.618  -6.704  14.205
  119   2HB   TRP  13           HB3      TRP  13   9.965  -5.016  13.859
  120    HD1  TRP  13           HD1      TRP  13   6.921  -7.306  14.507
  121    HE1  TRP  13           HE1      TRP  13   5.019  -5.880  15.485
  122    HE3  TRP  13           HE3      TRP  13   9.139  -2.702  14.255
  123    HZ2  TRP  13           HZ2      TRP  13   4.506  -3.165  16.066
  124    HZ3  TRP  13           HZ3      TRP  13   7.877  -0.746  15.054
  125    HH2  TRP  13           HH2      TRP  13   5.617  -0.975  15.946
  126    H    VAL  14           H        VAL  14  10.558  -5.725  10.111
  127    HA   VAL  14           HA       VAL  14  12.540  -7.764  10.791
  128    HB   VAL  14           HB       VAL  14  10.575  -8.866   9.557
  129   1HG1  VAL  14          1HG1      VAL  14  11.863  -7.445   7.240
  130   2HG1  VAL  14          3HG1      VAL  14  10.659  -8.725   7.110
  131   3HG1  VAL  14          2HG1      VAL  14  10.231  -7.184   7.854
  132   1HG2  VAL  14          2HG2      VAL  14  13.062  -9.636   9.828
  133   2HG2  VAL  14          1HG2      VAL  14  11.949 -10.507   8.773
  134   3HG2  VAL  14          3HG2      VAL  14  13.102  -9.365   8.086
  135    H    ASP  15           H        ASP  15  14.033  -8.014   8.759
  136    HA   ASP  15           HA       ASP  15  14.906  -5.305   8.071
  137   1HB   ASP  15           HB2      ASP  15  16.235  -7.958   8.383
  138   2HB   ASP  15           HB3      ASP  15  16.980  -6.774   7.309
  139    H    THR  16           H        THR  16  16.272  -5.457   5.825
  140    HA   THR  16           HA       THR  16  15.232  -7.115   3.787
  141    HB   THR  16           HB       THR  16  13.251  -5.562   4.357
  142    HG1  THR  16           HG1      THR  16  12.775  -5.425   2.056
  143   1HG2  THR  16          1HG2      THR  16  14.564  -3.475   4.406
  144   2HG2  THR  16          3HG2      THR  16  14.889  -3.662   2.683
  145   3HG2  THR  16          2HG2      THR  16  13.239  -3.409   3.245
  146    H    HIS  17           H        HIS  17  15.463  -5.741   1.542
  147    HA   HIS  17           HA       HIS  17  18.155  -4.550   1.633
  148   1HB   HIS  17           HB2      HIS  17  16.864  -6.449  -0.280
  149   2HB   HIS  17           HB3      HIS  17  18.087  -5.341  -0.888
  150    HD1  HIS  17           HD1      HIS  17  17.654  -8.491   0.949
  151    HD2  HIS  17           HD2      HIS  17  20.688  -5.724   0.312
  152    HE1  HIS  17           HE1      HIS  17  19.776  -9.651   1.636
  153    HE2  HIS  17           HE2      HIS  17  21.607  -7.984   1.170
  154    H    VAL  18           H        VAL  18  18.309  -3.498  -0.891
  155    HA   VAL  18           HA       VAL  18  16.436  -1.273  -0.654
  156    HB   VAL  18           HB       VAL  18  18.850  -1.546  -2.451
  157   1HG1  VAL  18          1HG1      VAL  18  17.154   0.852  -1.759
  158   2HG1  VAL  18          3HG1      VAL  18  18.646   0.892  -2.698
  159   3HG1  VAL  18          2HG1      VAL  18  17.232   0.042  -3.323
  160   1HG2  VAL  18          1HG2      VAL  18  18.533  -0.130   0.194
  161   2HG2  VAL  18          3HG2      VAL  18  19.489  -1.582  -0.106
  162   3HG2  VAL  18          2HG2      VAL  18  19.955  -0.050  -0.846
  163    H    GLY  19           H        GLY  19  14.855  -0.825  -2.013
  164   1HA   GLY  19           HA3      GLY  19  14.741  -1.460  -4.748
  165   2HA   GLY  19           HA2      GLY  19  13.387  -0.969  -3.753
  166    H    LYS  20           H        LYS  20  14.283  -3.514  -2.085
  167    HA   LYS  20           HA       LYS  20  13.635  -5.721  -3.717
  168   1HB   LYS  20           HB2      LYS  20  14.572  -5.413  -1.164
  169   2HB   LYS  20           HB3      LYS  20  12.934  -5.961  -0.871
  170   1HG   LYS  20           HG2      LYS  20  14.131  -7.928  -0.926
  171   2HG   LYS  20           HG3      LYS  20  13.491  -7.818  -2.570
  172   1HD   LYS  20           HD2      LYS  20  15.546  -7.127  -3.444
  173   2HD   LYS  20           HD3      LYS  20  16.156  -6.684  -1.854
  174   1HE   LYS  20           HE2      LYS  20  17.199  -8.745  -2.674
  175   2HE   LYS  20           HE3      LYS  20  16.249  -9.035  -1.217
  176   1HZ   LYS  20           HZ3      LYS  20  14.451  -9.869  -2.601
  177   2HZ   LYS  20           HZ2      LYS  20  15.367  -9.598  -3.997
  178   3HZ   LYS  20           HZ1      LYS  20  15.870 -10.751  -2.867
  179    H    THR  21           H        THR  21  11.819  -4.981  -4.888
  180    HA   THR  21           HA       THR  21   9.448  -3.978  -3.982
  181    HB   THR  21           HB       THR  21   9.532  -6.095  -6.124
  182    HG1  THR  21           HG1      THR  21  11.059  -3.975  -6.059
  183   1HG2  THR  21          3HG2      THR  21   7.323  -5.240  -5.497
  184   2HG2  THR  21          2HG2      THR  21   7.878  -3.590  -5.776
  185   3HG2  THR  21          1HG2      THR  21   7.764  -4.723  -7.124
  186    H    THR  22           H        THR  22   8.580  -4.712  -2.125
  187    HA   THR  22           HA       THR  22   8.087  -7.571  -1.799
  188    HB   THR  22           HB       THR  22   7.743  -5.249   0.108
  189    HG1  THR  22           HG1      THR  22   9.559  -6.043   1.048
  190   1HG2  THR  22          1HG2      THR  22   6.016  -6.945   0.529
  191   2HG2  THR  22          3HG2      THR  22   7.264  -8.187   0.625
  192   3HG2  THR  22          2HG2      THR  22   7.207  -6.898   1.829
  193    H    GLU  23           H        GLU  23   6.446  -8.063  -3.133
  194    HA   GLU  23           HA       GLU  23   4.083  -6.506  -3.400
  195   1HB   GLU  23           HB2      GLU  23   4.991  -7.987  -5.163
  196   2HB   GLU  23           HB3      GLU  23   4.631  -9.380  -4.153
  197   1HG   GLU  23           HG2      GLU  23   2.308  -9.043  -4.343
  198   2HG   GLU  23           HG3      GLU  23   2.535  -7.432  -5.024
  199    H    ILE  24           H        ILE  24   2.234  -6.606  -2.295
  200    HA   ILE  24           HA       ILE  24   1.859  -8.835  -0.414
  201    HB   ILE  24           HB       ILE  24   1.238  -5.964   0.214
  202   1HG1  ILE  24          2HG1      ILE  24   3.545  -7.658   1.188
  203   2HG1  ILE  24          3HG1      ILE  24   3.673  -6.336   0.033
  204   1HG2  ILE  24          1HG2      ILE  24  -0.173  -7.593   1.357
  205   2HG2  ILE  24          3HG2      ILE  24   1.263  -8.431   1.947
  206   3HG2  ILE  24          2HG2      ILE  24   0.912  -6.790   2.493
  207   1HD1  ILE  24          2HD1      ILE  24   2.781  -4.822   1.812
  208   2HD1  ILE  24          1HD1      ILE  24   2.952  -6.166   2.939
  209   3HD1  ILE  24          3HD1      ILE  24   4.374  -5.509   2.130
  210    H    HIS  25           H        HIS  25   0.208  -9.858  -1.414
  211    HA   HIS  25           HA       HIS  25  -2.069  -8.388  -2.425
  212   1HB   HIS  25           HB2      HIS  25  -1.934 -11.373  -2.095
  213   2HB   HIS  25           HB3      HIS  25  -2.852 -10.442  -3.263
  214    HD1  HIS  25           HD1      HIS  25  -0.187 -12.637  -3.291
  215    HD2  HIS  25           HD2      HIS  25  -0.719  -8.844  -4.902
  216    HE1  HIS  25           HE1      HIS  25   1.491 -12.458  -5.154
  217    HE2  HIS  25           HE2      HIS  25   1.037 -10.217  -6.211
  218    H    LEU  26           H        LEU  26  -3.205  -7.489  -0.792
  219    HA   LEU  26           HA       LEU  26  -3.792  -9.063   1.597
  220   1HB   LEU  26           HB2      LEU  26  -4.436  -6.191   0.967
  221   2HB   LEU  26           HB3      LEU  26  -4.674  -6.976   2.513
  222    HG   LEU  26           HG       LEU  26  -1.955  -6.672   1.247
  223   1HD1  LEU  26          3HD1      LEU  26  -3.303  -4.865   3.250
  224   2HD1  LEU  26          2HD1      LEU  26  -1.617  -4.767   2.741
  225   3HD1  LEU  26          1HD1      LEU  26  -2.907  -4.456   1.581
  226   1HD2  LEU  26          2HD2      LEU  26  -2.253  -8.415   2.987
  227   2HD2  LEU  26          1HD2      LEU  26  -1.132  -7.136   3.457
  228   3HD2  LEU  26          3HD2      LEU  26  -2.771  -7.155   4.108
  229    H    LYS  27           H        LYS  27  -5.882  -9.484   2.293
  230    HA   LYS  27           HA       LYS  27  -7.870  -9.478   0.142
  231   1HB   LYS  27           HB2      LYS  27  -8.076 -10.975   2.746
  232   2HB   LYS  27           HB3      LYS  27  -8.953 -11.272   1.253
  233   1HG   LYS  27           HG2      LYS  27  -6.786 -11.895   0.186
  234   2HG   LYS  27           HG3      LYS  27  -6.035 -11.774   1.779
  235   1HD   LYS  27           HD2      LYS  27  -7.553 -13.492   2.632
  236   2HD   LYS  27           HD3      LYS  27  -8.311 -13.614   1.042
  237   1HE   LYS  27           HE2      LYS  27  -6.175 -14.325   0.081
  238   2HE   LYS  27           HE3      LYS  27  -5.420 -14.205   1.670
  239   1HZ   LYS  27           HZ3      LYS  27  -6.921 -15.923   2.471
  240   2HZ   LYS  27           HZ2      LYS  27  -7.639 -16.041   0.944
  241   3HZ   LYS  27           HZ1      LYS  27  -6.020 -16.482   1.153
  242    H    GLY  28           H        GLY  28 -10.165  -9.160   0.843
  243   1HA   GLY  28           HA3      GLY  28 -10.365  -6.629   2.153
  244   2HA   GLY  28           HA2      GLY  28 -10.985  -7.925   3.158
  245    H    ASN  29           H        ASN  29 -12.107  -5.560   1.486
  246    HA   ASN  29           HA       ASN  29 -13.800  -6.646  -0.487
  247   1HB   ASN  29           HB2      ASN  29 -14.839  -7.768   1.454
  248   2HB   ASN  29           HB3      ASN  29 -15.112  -6.198   2.205
  249   1HD2  ASN  29          1HD2      ASN  29 -17.325  -6.467   2.262
  250   2HD2  ASN  29          2HD2      ASN  29 -18.307  -6.395   0.842
  251    HA   PRO  30           HA       PRO  30 -13.110  -2.079  -0.701
  252   1HB   PRO  30           HB2      PRO  30 -14.225  -2.828  -3.374
  253   2HB   PRO  30           HB3      PRO  30 -12.912  -1.713  -2.977
  254   1HG   PRO  30           HG2      PRO  30 -12.366  -4.136  -3.902
  255   2HG   PRO  30           HG3      PRO  30 -11.397  -3.441  -2.591
  256   1HD   PRO  30           HD2      PRO  30 -13.494  -5.552  -2.485
  257   2HD   PRO  30           HD3      PRO  30 -12.016  -5.381  -1.521
  258    H    THR  31           H        THR  31 -15.913  -4.077  -1.127
  259    HA   THR  31           HA       THR  31 -17.666  -1.723  -1.138
  260    HB   THR  31           HB       THR  31 -19.473  -3.310  -1.733
  261    HG1  THR  31           HG1      THR  31 -18.412  -5.188  -0.797
  262   1HG2  THR  31          1HG2      THR  31 -17.053  -3.424  -3.537
  263   2HG2  THR  31          3HG2      THR  31 -18.716  -3.755  -4.025
  264   3HG2  THR  31          2HG2      THR  31 -18.257  -2.135  -3.498
  265    H    THR  32           H        THR  32 -16.257  -2.680   1.269
  266    HA   THR  32           HA       THR  32 -18.554  -3.571   2.882
  267    HB   THR  32           HB       THR  32 -16.445  -4.984   2.913
  268    HG1  THR  32           HG1      THR  32 -16.686  -5.342   5.139
  269   1HG2  THR  32          3HG2      THR  32 -14.854  -3.069   2.986
  270   2HG2  THR  32          2HG2      THR  32 -15.403  -2.723   4.625
  271   3HG2  THR  32          1HG2      THR  32 -14.590  -4.246   4.272
  272    H    GLY  33           H        GLY  33 -16.029  -1.136   2.609
  273   1HA   GLY  33           HA3      GLY  33 -17.135   0.262   4.947
  274   2HA   GLY  33           HA2      GLY  33 -17.081   1.091   3.398
  275    H    TYR  34           H        TYR  34 -14.592  -1.109   4.573
  276    HA   TYR  34           HA       TYR  34 -12.853   1.179   5.146
  277   1HB   TYR  34           HB2      TYR  34 -12.628  -1.747   5.846
  278   2HB   TYR  34           HB3      TYR  34 -11.326  -0.594   6.120
  279    HD1  TYR  34           HD1      TYR  34 -14.878  -1.285   6.970
  280    HD2  TYR  34           HD2      TYR  34 -11.272   0.691   8.092
  281    HE1  TYR  34           HE1      TYR  34 -15.877  -0.701   9.138
  282    HE2  TYR  34           HE2      TYR  34 -12.268   1.276  10.260
  283    HH   TYR  34           HH       TYR  34 -15.142  -0.114  11.408
  284    H    MET  35           H        MET  35 -10.412   0.461   4.701
  285    HA   MET  35           HA       MET  35 -10.079  -0.724   2.079
  286   1HB   MET  35           HB2      MET  35 -10.281   1.444   1.284
  287   2HB   MET  35           HB3      MET  35  -9.684   2.154   2.779
  288   1HG   MET  35           HG2      MET  35  -7.426   1.297   2.207
  289   2HG   MET  35           HG3      MET  35  -8.076   0.783   0.667
  290   1HE   MET  35           HE1      MET  35 -10.058   2.982  -0.151
  291   2HE   MET  35           HE3      MET  35  -9.086   4.191  -0.989
  292   3HE   MET  35           HE2      MET  35  -8.822   2.477  -1.304
  293    H    TRP  36           H        TRP  36  -7.882  -1.276   1.663
  294    HA   TRP  36           HA       TRP  36  -6.218  -1.334   4.086
  295   1HB   TRP  36           HB2      TRP  36  -6.832  -3.332   2.043
  296   2HB   TRP  36           HB3      TRP  36  -5.115  -3.164   2.365
  297    HD1  TRP  36           HD1      TRP  36  -7.884  -5.178   3.455
  298    HE1  TRP  36           HE1      TRP  36  -7.524  -6.125   5.825
  299    HE3  TRP  36           HE3      TRP  36  -4.034  -2.176   4.947
  300    HZ2  TRP  36           HZ2      TRP  36  -5.829  -5.656   8.029
  301    HZ3  TRP  36           HZ3      TRP  36  -3.099  -2.490   7.196
  302    HH2  TRP  36           HH2      TRP  36  -3.982  -4.193   8.704
  303    H    THR  37           H        THR  37  -5.261   0.678   3.745
  304    HA   THR  37           HA       THR  37  -3.306   0.715   1.542
  305    HB   THR  37           HB       THR  37  -5.251   2.175   0.973
  306    HG1  THR  37           HG1      THR  37  -3.922   3.713   0.172
  307   1HG2  THR  37          1HG2      THR  37  -5.818   2.885   3.249
  308   2HG2  THR  37          3HG2      THR  37  -4.299   3.775   3.353
  309   3HG2  THR  37          2HG2      THR  37  -5.537   4.273   2.198
  310    H    ARG  38           H        ARG  38  -2.126   3.230   2.224
  311    HA   ARG  38           HA       ARG  38  -0.755   2.409   4.655
  312   1HB   ARG  38           HB2      ARG  38  -0.067   4.073   2.324
  313   2HB   ARG  38           HB3      ARG  38   0.560   4.649   3.856
  314   1HG   ARG  38           HG2      ARG  38   1.762   2.674   4.232
  315   2HG   ARG  38           HG3      ARG  38   0.943   1.847   2.907
  316   1HD   ARG  38           HD2      ARG  38   3.266   2.639   2.427
  317   2HD   ARG  38           HD3      ARG  38   2.055   3.146   1.281
  318    HE   ARG  38           HE       ARG  38   2.150   5.345   2.347
  319   1HH1  ARG  38          1HH1      ARG  38   4.730   3.100   3.017
  320   2HH1  ARG  38          2HH1      ARG  38   5.892   4.335   3.368
  321   1HH2  ARG  38          1HH2      ARG  38   3.693   6.983   2.791
  322   2HH2  ARG  38          2HH2      ARG  38   5.302   6.537   3.243
  323    H    VAL  39           H        VAL  39  -0.223   3.983   6.328
  324    HA   VAL  39           HA       VAL  39  -2.574   5.405   7.152
  325    HB   VAL  39           HB       VAL  39   0.133   5.407   8.488
  326   1HG1  VAL  39          3HG1      VAL  39  -1.385   7.129   9.293
  327   2HG1  VAL  39          2HG1      VAL  39  -2.639   5.918   9.560
  328   3HG1  VAL  39          1HG1      VAL  39  -1.159   5.880  10.517
  329   1HG2  VAL  39          1HG2      VAL  39  -0.945   3.116   7.997
  330   2HG2  VAL  39          3HG2      VAL  39  -0.387   3.457   9.635
  331   3HG2  VAL  39          2HG2      VAL  39  -2.106   3.569   9.245
  332    H    GLY  40           H        GLY  40  -2.995   7.529   7.049
  333   1HA   GLY  40           HA3      GLY  40  -0.891   9.491   6.807
  334   2HA   GLY  40           HA2      GLY  40  -2.618   9.812   6.870
  335    H    PHE  41           H        PHE  41  -2.552   7.580   4.606
  336    HA   PHE  41           HA       PHE  41  -2.260   9.545   2.442
  337   1HB   PHE  41           HB2      PHE  41  -1.289   6.684   2.319
  338   2HB   PHE  41           HB3      PHE  41  -1.166   7.884   1.036
  339    HD1  PHE  41           HD1      PHE  41   0.186  10.007   1.557
  340    HD2  PHE  41           HD2      PHE  41   0.396   6.444   3.864
  341    HE1  PHE  41           HE1      PHE  41   2.348  10.742   2.480
  342    HE2  PHE  41           HE2      PHE  41   2.559   7.167   4.794
  343    HZ   PHE  41           HZ       PHE  41   3.536   9.321   4.103
  344    H    VAL  42           H        VAL  42  -4.182   7.482   4.066
  345    HA   VAL  42           HA       VAL  42  -5.627   6.013   2.243
  346    HB   VAL  42           HB       VAL  42  -6.862   7.520   4.546
  347   1HG1  VAL  42          2HG1      VAL  42  -8.381   6.369   2.944
  348   2HG1  VAL  42          1HG1      VAL  42  -7.591   4.849   3.364
  349   3HG1  VAL  42          3HG1      VAL  42  -8.473   5.756   4.594
  350   1HG2  VAL  42          1HG2      VAL  42  -4.722   6.242   5.074
  351   2HG2  VAL  42          3HG2      VAL  42  -6.151   5.856   6.029
  352   3HG2  VAL  42          2HG2      VAL  42  -5.649   4.783   4.724
  353    H    GLY  43           H        GLY  43  -6.601   6.589   0.423
  354   1HA   GLY  43           HA3      GLY  43  -8.184   9.062   0.382
  355   2HA   GLY  43           HA2      GLY  43  -8.359   7.712  -0.730
  356    H    LYS  44           H        LYS  44  -5.267   9.098   0.136
  357    HA   LYS  44           HA       LYS  44  -5.033  10.911  -2.008
  358   1HB   LYS  44           HB2      LYS  44  -2.900   9.493  -0.405
  359   2HB   LYS  44           HB3      LYS  44  -2.614  10.852  -1.475
  360   1HG   LYS  44           HG2      LYS  44  -4.156  12.206  -0.064
  361   2HG   LYS  44           HG3      LYS  44  -4.226  10.846   1.061
  362   1HD   LYS  44           HD2      LYS  44  -1.806  10.975   1.377
  363   2HD   LYS  44           HD3      LYS  44  -1.727  12.326   0.242
  364   1HE   LYS  44           HE2      LYS  44  -3.231  12.300   2.854
  365   2HE   LYS  44           HE3      LYS  44  -1.685  13.095   2.563
  366   1HZ   LYS  44           HZ3      LYS  44  -2.766  14.512   0.927
  367   2HZ   LYS  44           HZ2      LYS  44  -4.249  13.752   1.214
  368   3HZ   LYS  44           HZ1      LYS  44  -3.515  14.660   2.437
  369    H    ASP  45           H        ASP  45  -3.189  10.657  -3.652
  370    HA   ASP  45           HA       ASP  45  -3.783   8.390  -5.287
  371   1HB   ASP  45           HB2      ASP  45  -1.965  10.771  -5.552
  372   2HB   ASP  45           HB3      ASP  45  -1.946   9.471  -6.733
  373    H    VAL  46           H        VAL  46  -0.697   9.669  -4.072
  374    HA   VAL  46           HA       VAL  46   0.428   6.959  -4.173
  375    HB   VAL  46           HB       VAL  46   1.639   8.791  -5.348
  376   1HG1  VAL  46          1HG1      VAL  46   2.068   9.842  -2.557
  377   2HG1  VAL  46          3HG1      VAL  46   2.877  10.431  -4.008
  378   3HG1  VAL  46          2HG1      VAL  46   1.132  10.618  -3.835
  379   1HG2  VAL  46          1HG2      VAL  46   3.105   7.528  -3.033
  380   2HG2  VAL  46          3HG2      VAL  46   2.827   6.799  -4.615
  381   3HG2  VAL  46          2HG2      VAL  46   3.858   8.222  -4.469
  382    H    LEU  47           H        LEU  47   1.262   5.962  -2.415
  383    HA   LEU  47           HA       LEU  47   0.468   7.043   0.168
  384   1HB   LEU  47           HB2      LEU  47   1.678   4.354  -0.364
  385   2HB   LEU  47           HB3      LEU  47   0.737   4.850   1.023
  386    HG   LEU  47           HG       LEU  47  -0.319   4.473  -1.782
  387   1HD1  LEU  47          2HD1      LEU  47  -0.663   2.831   0.723
  388   2HD1  LEU  47          1HD1      LEU  47  -1.541   2.579  -0.786
  389   3HD1  LEU  47          3HD1      LEU  47   0.208   2.359  -0.735
  390   1HD2  LEU  47          2HD2      LEU  47  -1.742   5.207   0.772
  391   2HD2  LEU  47          1HD2      LEU  47  -1.522   6.238  -0.641
  392   3HD2  LEU  47          3HD2      LEU  47  -2.527   4.793  -0.751
  393    H    SER  48           H        SER  48   3.328   5.570  -1.320
  394    HA   SER  48           HA       SER  48   5.128   6.117   0.747
  395   1HB   SER  48           HB2      SER  48   6.861   5.782  -1.013
  396   2HB   SER  48           HB3      SER  48   5.655   4.505  -0.968
  397    HG   SER  48           HG       SER  48   5.019   6.590  -2.633
  398    H    ASP  49           H        ASP  49   7.274   7.422  -0.257
  399    HA   ASP  49           HA       ASP  49   6.482  10.034  -1.230
  400   1HB   ASP  49           HB2      ASP  49   7.593   9.603   1.539
  401   2HB   ASP  49           HB3      ASP  49   7.715  11.150   0.704
  402    H    GLU  50           H        GLU  50   9.321   9.190   0.675
  403    HA   GLU  50           HA       GLU  50  10.958   9.198  -1.758
  404   1HB   GLU  50           HB2      GLU  50  12.561  10.688  -0.720
  405   2HB   GLU  50           HB3      GLU  50  10.969  11.438  -0.723
  406   1HG   GLU  50           HG2      GLU  50  10.658  10.847   1.609
  407   2HG   GLU  50           HG3      GLU  50  12.238  10.063   1.631
  408    H    ILE  51           H        ILE  51  10.503   8.229   1.563
  409    HA   ILE  51           HA       ILE  51  12.985   6.842   1.846
  410    HB   ILE  51           HB       ILE  51  10.457   6.429   3.433
  411   1HG1  ILE  51          2HG1      ILE  51  11.117   8.821   3.300
  412   2HG1  ILE  51          3HG1      ILE  51  11.215   8.154   4.922
  413   1HG2  ILE  51          2HG2      ILE  51  13.360   5.887   4.008
  414   2HG2  ILE  51          1HG2      ILE  51  12.094   5.852   5.236
  415   3HG2  ILE  51          3HG2      ILE  51  12.045   4.718   3.887
  416   1HD1  ILE  51          3HD1      ILE  51  13.556   8.504   3.066
  417   2HD1  ILE  51          2HD1      ILE  51  13.109   9.624   4.354
  418   3HD1  ILE  51          1HD1      ILE  51  13.613   7.980   4.749
  419    H    LEU  52           H        LEU  52   9.915   5.255   2.408
  420    HA   LEU  52           HA       LEU  52  10.873   2.970   0.862
  421   1HB   LEU  52           HB2      LEU  52   9.559   3.201   3.298
  422   2HB   LEU  52           HB3      LEU  52   8.320   2.624   2.199
  423    HG   LEU  52           HG       LEU  52  10.966   1.314   2.784
  424   1HD1  LEU  52          1HD1      LEU  52   9.275   1.035   4.527
  425   2HD1  LEU  52          3HD1      LEU  52   8.136   0.428   3.325
  426   3HD1  LEU  52          2HD1      LEU  52   9.600  -0.485   3.695
  427   1HD2  LEU  52          3HD2      LEU  52   8.820   0.567   0.811
  428   2HD2  LEU  52          2HD2      LEU  52  10.494   0.990   0.460
  429   3HD2  LEU  52          1HD2      LEU  52  10.124  -0.507   1.315
  430    H    GLU  53           H        GLU  53  10.338   3.025  -1.245
  431    HA   GLU  53           HA       GLU  53   8.147   4.426  -2.321
  432   1HB   GLU  53           HB2      GLU  53  10.300   3.313  -3.443
  433   2HB   GLU  53           HB3      GLU  53   9.170   1.998  -3.723
  434   1HG   GLU  53           HG2      GLU  53   7.682   3.512  -4.908
  435   2HG   GLU  53           HG3      GLU  53   8.797   4.845  -4.619
  436    H    VAL  54           H        VAL  54   6.061   3.772  -2.840
  437    HA   VAL  54           HA       VAL  54   5.314   1.024  -2.174
  438    HB   VAL  54           HB       VAL  54   3.864   3.424  -1.054
  439   1HG1  VAL  54          3HG1      VAL  54   3.327   0.473  -0.741
  440   2HG1  VAL  54          2HG1      VAL  54   2.479   1.766   0.108
  441   3HG1  VAL  54          1HG1      VAL  54   2.339   1.622  -1.645
  442   1HG2  VAL  54          1HG2      VAL  54   5.522   1.310   0.318
  443   2HG2  VAL  54          3HG2      VAL  54   5.943   3.011   0.130
  444   3HG2  VAL  54          2HG2      VAL  54   4.570   2.549   1.133
  445    H    VAL  55           H        VAL  55   4.976   0.656  -4.377
  446    HA   VAL  55           HA       VAL  55   3.223   2.301  -5.921
  447    HB   VAL  55           HB       VAL  55   3.975  -0.560  -6.492
  448   1HG1  VAL  55          1HG1      VAL  55   2.112   0.410  -7.796
  449   2HG1  VAL  55          3HG1      VAL  55   3.202   1.679  -8.354
  450   3HG1  VAL  55          2HG1      VAL  55   3.510  -0.002  -8.791
  451   1HG2  VAL  55          2HG2      VAL  55   5.450   1.961  -7.246
  452   2HG2  VAL  55          1HG2      VAL  55   6.007   0.723  -6.119
  453   3HG2  VAL  55          3HG2      VAL  55   5.828   0.341  -7.833
  454    H    CYS  56           H        CYS  56   1.294   2.488  -4.911
  455    HA   CYS  56           HA       CYS  56  -0.128   0.298  -3.788
  456   1HB   CYS  56           HB2      CYS  56  -1.949   1.916  -3.505
  457   2HB   CYS  56           HB3      CYS  56  -0.417   2.565  -2.942
  458    HG   CYS  56           HG       CYS  56  -1.956   3.362  -5.893
  459    H    LYS  57           H        LYS  57  -1.079  -1.235  -4.913
  460    HA   LYS  57           HA       LYS  57  -2.363  -0.534  -7.460
  461   1HB   LYS  57           HB2      LYS  57  -0.928  -3.059  -6.671
  462   2HB   LYS  57           HB3      LYS  57  -1.890  -2.897  -8.127
  463   1HG   LYS  57           HG2      LYS  57  -0.399  -1.135  -8.923
  464   2HG   LYS  57           HG3      LYS  57   0.564  -1.291  -7.452
  465   1HD   LYS  57           HD2      LYS  57   1.120  -3.584  -8.033
  466   2HD   LYS  57           HD3      LYS  57   0.107  -3.483  -9.474
  467   1HE   LYS  57           HE2      LYS  57   1.548  -1.698 -10.347
  468   2HE   LYS  57           HE3      LYS  57   2.570  -1.834  -8.916
  469   1HZ   LYS  57           HZ2      LYS  57   3.072  -4.117  -9.544
  470   2HZ   LYS  57           HZ1      LYS  57   2.103  -3.975 -10.922
  471   3HZ   LYS  57           HZ3      LYS  57   3.508  -3.043 -10.776
  472    H    TYR  58           H        TYR  58  -3.676  -0.283  -5.081
  473    HA   TYR  58           HA       TYR  58  -5.153  -2.565  -4.323
  474   1HB   TYR  58           HB2      TYR  58  -5.051  -0.725  -2.785
  475   2HB   TYR  58           HB3      TYR  58  -5.664   0.396  -3.989
  476    HD1  TYR  58           HD1      TYR  58  -7.632  -2.506  -4.272
  477    HD2  TYR  58           HD2      TYR  58  -6.991   0.852  -1.718
  478    HE1  TYR  58           HE1      TYR  58  -9.907  -2.761  -3.409
  479    HE2  TYR  58           HE2      TYR  58  -9.284   0.603  -0.847
  480    HH   TYR  58           HH       TYR  58 -11.431  -0.362  -1.537
  481    H    THR  59           H        THR  59  -6.283  -3.668  -5.763
  482    HA   THR  59           HA       THR  59  -7.875  -2.232  -7.765
  483    HB   THR  59           HB       THR  59  -7.411  -5.215  -7.652
  484    HG1  THR  59           HG1      THR  59  -5.723  -3.151  -8.486
  485   1HG2  THR  59          2HG2      THR  59  -9.242  -4.448  -9.085
  486   2HG2  THR  59          1HG2      THR  59  -8.146  -3.336  -9.906
  487   3HG2  THR  59          3HG2      THR  59  -7.910  -5.079 -10.054
  488    HA   PRO  60           HA       PRO  60 -11.356  -3.475  -5.232
  489   1HB   PRO  60           HB2      PRO  60 -12.964  -1.463  -5.955
  490   2HB   PRO  60           HB3      PRO  60 -11.563  -1.191  -4.919
  491   1HG   PRO  60           HG2      PRO  60 -11.971  -0.489  -7.760
  492   2HG   PRO  60           HG3      PRO  60 -10.905   0.254  -6.559
  493   1HD   PRO  60           HD2      PRO  60 -10.229  -1.668  -8.571
  494   2HD   PRO  60           HD3      PRO  60  -9.169  -0.917  -7.364
  495    H    THR  61           H        THR  61 -13.951  -3.019  -6.101
  496    HA   THR  61           HA       THR  61 -14.601  -5.246  -7.552
  497    HB   THR  61           HB       THR  61 -16.378  -2.950  -8.069
  498    HG1  THR  61           HG1      THR  61 -15.651  -2.292  -6.052
  499   1HG2  THR  61          2HG2      THR  61 -16.741  -5.658  -6.788
  500   2HG2  THR  61          1HG2      THR  61 -18.044  -4.512  -7.106
  501   3HG2  THR  61          3HG2      THR  61 -17.139  -5.213  -8.447
  502    HA   PRO  62           HA       PRO  62 -13.386  -4.436 -11.733
  503   1HB   PRO  62           HB2      PRO  62 -15.594  -6.189 -12.573
  504   2HB   PRO  62           HB3      PRO  62 -13.853  -6.402 -12.775
  505   1HG   PRO  62           HG2      PRO  62 -15.270  -7.899 -11.052
  506   2HG   PRO  62           HG3      PRO  62 -13.602  -7.403 -10.710
  507   1HD   PRO  62           HD2      PRO  62 -16.168  -6.263  -9.666
  508   2HD   PRO  62           HD3      PRO  62 -14.644  -6.584  -8.811
  509    H    SER  63           H        SER  63 -14.530  -4.056 -13.942
  510    HA   SER  63           HA       SER  63 -16.454  -1.906 -13.518
  511   1HB   SER  63           HB2      SER  63 -15.936  -1.278 -15.839
  512   2HB   SER  63           HB3      SER  63 -14.461  -1.449 -14.890
  513    HG   SER  63           HG       SER  63 -15.230  -3.774 -16.094
  514    H    SER  64           H        SER  64 -17.714  -1.842 -15.974
  515    HA   SER  64           HA       SER  64 -19.758  -3.794 -15.602
  516   1HB   SER  64           HB2      SER  64 -19.332  -1.818 -17.857
  517   2HB   SER  64           HB3      SER  64 -20.805  -2.747 -17.582
  518    HG   SER  64           HG       SER  64 -20.792  -1.705 -15.434
  519    H    THR  65           H        THR  65 -16.783  -4.091 -16.944
  520    HA   THR  65           HA       THR  65 -17.172  -5.408 -19.372
  521    HB   THR  65           HB       THR  65 -14.979  -6.533 -18.898
  522    HG1  THR  65           HG1      THR  65 -15.607  -5.680 -16.374
  523   1HG2  THR  65          1HG2      THR  65 -15.122  -3.555 -18.414
  524   2HG2  THR  65          3HG2      THR  65 -13.666  -4.442 -18.865
  525   3HG2  THR  65          2HG2      THR  65 -15.030  -4.359 -19.980
  526    HA   PRO  66           HA       PRO  66 -18.847  -9.346 -18.270
  527   1HB   PRO  66           HB2      PRO  66 -17.940 -10.924 -20.235
  528   2HB   PRO  66           HB3      PRO  66 -19.074  -9.608 -20.570
  529   1HG   PRO  66           HG2      PRO  66 -16.078  -9.634 -20.838
  530   2HG   PRO  66           HG3      PRO  66 -17.290  -9.098 -22.023
  531   1HD   PRO  66           HD2      PRO  66 -15.973  -7.365 -20.422
  532   2HD   PRO  66           HD3      PRO  66 -17.658  -7.098 -20.913
  533    H    MET  67           H        MET  67 -15.884  -8.583 -17.540
  534    HA   MET  67           HA       MET  67 -15.140 -11.293 -16.668
  535   1HB   MET  67           HB2      MET  67 -12.753 -10.449 -16.716
  536   2HB   MET  67           HB3      MET  67 -13.516 -10.687 -18.281
  537   1HG   MET  67           HG2      MET  67 -13.955  -8.286 -18.430
  538   2HG   MET  67           HG3      MET  67 -13.174  -8.053 -16.867
  539   1HE   MET  67           HE1      MET  67 -10.756 -10.121 -17.047
  540   2HE   MET  67           HE3      MET  67  -9.473  -9.075 -17.658
  541   3HE   MET  67           HE2      MET  67 -10.586  -8.477 -16.427
  542    H    VAL  68           H        VAL  68 -16.357 -10.884 -14.749
  543    HA   VAL  68           HA       VAL  68 -15.600  -8.746 -12.982
  544    HB   VAL  68           HB       VAL  68 -17.316 -11.182 -12.469
  545   1HG1  VAL  68          3HG1      VAL  68 -16.947  -8.674 -10.832
  546   2HG1  VAL  68          2HG1      VAL  68 -18.143  -9.933 -10.518
  547   3HG1  VAL  68          1HG1      VAL  68 -16.423 -10.299 -10.391
  548   1HG2  VAL  68          3HG2      VAL  68 -18.237  -9.733 -14.194
  549   2HG2  VAL  68          2HG2      VAL  68 -19.198  -9.632 -12.718
  550   3HG2  VAL  68          1HG2      VAL  68 -18.072  -8.337 -13.129
  551    H    GLY  69           H        GLY  69 -13.558  -8.851 -12.219
  552   1HA   GLY  69           HA3      GLY  69 -12.519 -11.414 -11.255
  553   2HA   GLY  69           HA2      GLY  69 -12.671 -10.106 -10.092
  554    H    VAL  70           H        VAL  70 -11.894  -7.948 -11.710
  555    HA   VAL  70           HA       VAL  70  -9.357  -8.528 -12.908
  556    HB   VAL  70           HB       VAL  70  -9.197  -6.041 -13.105
  557   1HG1  VAL  70          2HG1      VAL  70 -11.710  -7.320 -14.160
  558   2HG1  VAL  70          1HG1      VAL  70 -10.978  -5.842 -14.782
  559   3HG1  VAL  70          3HG1      VAL  70 -10.116  -7.375 -14.911
  560   1HG2  VAL  70          2HG2      VAL  70 -11.938  -6.133 -11.865
  561   2HG2  VAL  70          1HG2      VAL  70 -10.491  -5.412 -11.159
  562   3HG2  VAL  70          3HG2      VAL  70 -11.205  -4.715 -12.613
  563    H    GLY  71           H        GLY  71 -10.380  -8.175  -9.781
  564   1HA   GLY  71           HA3      GLY  71  -8.423  -6.613  -8.578
  565   2HA   GLY  71           HA2      GLY  71  -7.803  -8.250  -8.677
  566    H    GLY  72           H        GLY  72  -9.718  -6.080  -6.916
  567   1HA   GLY  72           HA3      GLY  72 -11.169  -8.209  -5.545
  568   2HA   GLY  72           HA2      GLY  72 -11.431  -6.486  -5.336
  569    H    ILE  73           H        ILE  73  -8.223  -6.755  -5.306
  570    HA   ILE  73           HA       ILE  73  -8.140  -7.023  -2.384
  571    HB   ILE  73           HB       ILE  73  -5.872  -8.015  -2.600
  572   1HG1  ILE  73          2HG1      ILE  73  -6.560  -8.734  -5.423
  573   2HG1  ILE  73          3HG1      ILE  73  -5.702  -7.237  -5.064
  574   1HG2  ILE  73          3HG2      ILE  73  -7.908  -9.342  -2.144
  575   2HG2  ILE  73          2HG2      ILE  73  -8.001  -9.703  -3.870
  576   3HG2  ILE  73          1HG2      ILE  73  -6.610 -10.247  -2.926
  577   1HD1  ILE  73          1HD1      ILE  73  -3.955  -8.536  -3.930
  578   2HD1  ILE  73          3HD1      ILE  73  -4.802 -10.022  -4.366
  579   3HD1  ILE  73          2HD1      ILE  73  -4.138  -8.983  -5.628
  580    H    TYR  74           H        TYR  74  -5.526  -6.494  -1.954
  581    HA   TYR  74           HA       TYR  74  -5.108  -3.817  -3.094
  582   1HB   TYR  74           HB2      TYR  74  -4.247  -4.500  -0.307
  583   2HB   TYR  74           HB3      TYR  74  -4.648  -2.928  -0.993
  584    HD1  TYR  74           HD1      TYR  74  -6.122  -6.110   0.233
  585    HD2  TYR  74           HD2      TYR  74  -6.840  -2.059  -0.845
  586    HE1  TYR  74           HE1      TYR  74  -8.378  -6.265   1.186
  587    HE2  TYR  74           HE2      TYR  74  -9.103  -2.206   0.111
  588    HH   TYR  74           HH       TYR  74 -10.103  -4.777   2.087
  589    H    VAL  75           H        VAL  75  -3.411  -4.147  -4.473
  590    HA   VAL  75           HA       VAL  75  -1.252  -5.932  -3.640
  591    HB   VAL  75           HB       VAL  75  -1.755  -4.544  -6.277
  592   1HG1  VAL  75          3HG1      VAL  75   0.427  -6.477  -5.499
  593   2HG1  VAL  75          2HG1      VAL  75   0.085  -5.937  -7.143
  594   3HG1  VAL  75          1HG1      VAL  75   0.632  -4.779  -5.932
  595   1HG2  VAL  75          2HG2      VAL  75  -2.007  -7.425  -5.435
  596   2HG2  VAL  75          1HG2      VAL  75  -3.323  -6.329  -5.859
  597   3HG2  VAL  75          3HG2      VAL  75  -2.167  -6.836  -7.090
  598    H    VAL  76           H        VAL  76   0.021  -4.898  -2.211
  599    HA   VAL  76           HA       VAL  76   0.900  -2.167  -2.833
  600    HB   VAL  76           HB       VAL  76   1.161  -3.716  -0.253
  601   1HG1  VAL  76          3HG1      VAL  76   1.750  -0.824  -0.879
  602   2HG1  VAL  76          2HG1      VAL  76   1.791  -1.556   0.726
  603   3HG1  VAL  76          1HG1      VAL  76   2.938  -2.076  -0.511
  604   1HG2  VAL  76          3HG2      VAL  76  -1.160  -3.178  -0.774
  605   2HG2  VAL  76          2HG2      VAL  76  -0.582  -2.215   0.586
  606   3HG2  VAL  76          1HG2      VAL  76  -0.725  -1.486  -1.015
  607    H    LEU  77           H        LEU  77   2.802  -1.911  -3.780
  608    HA   LEU  77           HA       LEU  77   4.878  -3.958  -3.420
  609   1HB   LEU  77           HB2      LEU  77   4.552  -1.802  -5.505
  610   2HB   LEU  77           HB3      LEU  77   5.976  -2.815  -5.378
  611    HG   LEU  77           HG       LEU  77   3.160  -3.756  -5.978
  612   1HD1  LEU  77          1HD1      LEU  77   5.615  -3.588  -7.720
  613   2HD1  LEU  77          3HD1      LEU  77   4.067  -4.295  -8.184
  614   3HD1  LEU  77          2HD1      LEU  77   4.181  -2.570  -7.840
  615   1HD2  LEU  77          2HD2      LEU  77   4.784  -5.282  -4.642
  616   2HD2  LEU  77          1HD2      LEU  77   3.921  -5.936  -6.037
  617   3HD2  LEU  77          3HD2      LEU  77   5.609  -5.452  -6.191
  618    H    VAL  78           H        VAL  78   6.111  -3.470  -1.720
  619    HA   VAL  78           HA       VAL  78   6.742  -0.664  -1.192
  620    HB   VAL  78           HB       VAL  78   7.903  -2.433   0.734
  621   1HG1  VAL  78          3HG1      VAL  78   5.614  -0.465   0.897
  622   2HG1  VAL  78          2HG1      VAL  78   6.484  -1.145   2.274
  623   3HG1  VAL  78          1HG1      VAL  78   7.324  -0.098   1.134
  624   1HG2  VAL  78          2HG2      VAL  78   6.207  -4.041  -0.008
  625   2HG2  VAL  78          1HG2      VAL  78   5.909  -3.482   1.637
  626   3HG2  VAL  78          3HG2      VAL  78   4.951  -2.844   0.301
  627    H    LYS  79           H        LYS  79   8.372  -0.049  -2.482
  628    HA   LYS  79           HA       LYS  79  10.748  -1.749  -2.684
  629   1HB   LYS  79           HB2      LYS  79   9.400   0.179  -4.459
  630   2HB   LYS  79           HB3      LYS  79  11.153   0.241  -4.477
  631   1HG   LYS  79           HG2      LYS  79  11.156  -2.221  -4.919
  632   2HG   LYS  79           HG3      LYS  79   9.391  -2.126  -5.095
  633   1HD   LYS  79           HD2      LYS  79  11.360  -0.514  -6.724
  634   2HD   LYS  79           HD3      LYS  79  10.646  -2.039  -7.252
  635   1HE   LYS  79           HE2      LYS  79   8.415  -1.061  -7.086
  636   2HE   LYS  79           HE3      LYS  79   9.117   0.461  -6.542
  637   1HZ   LYS  79           HZ2      LYS  79  10.260   0.649  -8.663
  638   2HZ   LYS  79           HZ1      LYS  79   9.584  -0.811  -9.185
  639   3HZ   LYS  79           HZ3      LYS  79   8.589   0.526  -8.894
  640    HA   PRO  80           HA       PRO  80  12.355   1.226   0.379
  641   1HB   PRO  80           HB2      PRO  80  14.743  -0.495  -0.007
  642   2HB   PRO  80           HB3      PRO  80  13.948   0.013   1.485
  643   1HG   PRO  80           HG2      PRO  80  13.690  -2.480   0.562
  644   2HG   PRO  80           HG3      PRO  80  12.348  -1.644   1.357
  645   1HD   PRO  80           HD2      PRO  80  12.797  -2.181  -1.543
  646   2HD   PRO  80           HD3      PRO  80  11.283  -2.164  -0.617
  647    H    ARG  81           H        ARG  81  12.530   3.042  -0.941
  648    HA   ARG  81           HA       ARG  81  14.239   3.281  -3.153
  649   1HB   ARG  81           HB2      ARG  81  12.788   5.189  -1.398
  650   2HB   ARG  81           HB3      ARG  81  14.054   5.824  -2.432
  651   1HG   ARG  81           HG2      ARG  81  12.933   4.972  -4.392
  652   2HG   ARG  81           HG3      ARG  81  11.701   4.206  -3.385
  653   1HD   ARG  81           HD2      ARG  81  11.067   6.419  -2.528
  654   2HD   ARG  81           HD3      ARG  81  12.247   7.162  -3.605
  655    HE   ARG  81           HE       ARG  81  10.363   5.502  -4.983
  656   1HH1  ARG  81          1HH1      ARG  81  10.916   8.677  -3.662
  657   2HH1  ARG  81          2HH1      ARG  81   9.780   9.453  -4.714
  658   1HH2  ARG  81          1HH2      ARG  81   8.865   6.514  -6.372
  659   2HH2  ARG  81          2HH2      ARG  81   8.613   8.224  -6.254
  660    H    LYS  82           H        LYS  82  14.731   3.790   0.276
  661    HA   LYS  82           HA       LYS  82  17.590   4.271  -0.250
  662   1HB   LYS  82           HB2      LYS  82  16.087   5.344   2.136
  663   2HB   LYS  82           HB3      LYS  82  17.708   5.768   1.603
  664   1HG   LYS  82           HG2      LYS  82  16.729   6.792  -0.425
  665   2HG   LYS  82           HG3      LYS  82  15.122   6.445   0.218
  666   1HD   LYS  82           HD2      LYS  82  15.612   7.825   2.180
  667   2HD   LYS  82           HD3      LYS  82  17.212   8.183   1.526
  668   1HE   LYS  82           HE2      LYS  82  16.169   9.236  -0.427
  669   2HE   LYS  82           HE3      LYS  82  14.575   8.892   0.243
  670   1HZ   LYS  82           HZ1      LYS  82  15.108  10.297   2.137
  671   2HZ   LYS  82           HZ3      LYS  82  16.634  10.631   1.488
  672   3HZ   LYS  82           HZ2      LYS  82  15.243  11.165   0.691
  673    H    ARG  83           H        ARG  83  18.803   3.910   2.004
  674    HA   ARG  83           HA       ARG  83  17.872   1.317   3.049
  675   1HB   ARG  83           HB2      ARG  83  20.368   0.941   3.502
  676   2HB   ARG  83           HB3      ARG  83  19.816   0.828   1.837
  677   1HG   ARG  83           HG2      ARG  83  20.564   3.164   1.485
  678   2HG   ARG  83           HG3      ARG  83  21.229   3.155   3.120
  679   1HD   ARG  83           HD2      ARG  83  22.653   1.243   2.496
  680   2HD   ARG  83           HD3      ARG  83  22.025   1.341   0.851
  681    HE   ARG  83           HE       ARG  83  23.014   3.844   1.424
  682   1HH1  ARG  83          1HH1      ARG  83  24.277   0.600   1.276
  683   2HH1  ARG  83          2HH1      ARG  83  25.870   1.104   0.820
  684   1HH2  ARG  83          1HH2      ARG  83  25.108   4.515   0.824
  685   2HH2  ARG  83          2HH2      ARG  83  26.343   3.329   0.564
  686    H    GLY  84           H        GLY  84  18.020   0.930   5.243
  687   1HA   GLY  84           HA3      GLY  84  18.411   3.343   6.882
  688   2HA   GLY  84           HA2      GLY  84  19.241   1.858   7.322
  689    H    HIS  85           H        HIS  85  16.494   3.701   7.792
  690    HA   HIS  85           HA       HIS  85  15.077   1.397   8.960
  691   1HB   HIS  85           HB2      HIS  85  15.114   4.262   9.926
  692   2HB   HIS  85           HB3      HIS  85  14.187   2.953  10.650
  693    HD1  HIS  85           HD1      HIS  85  17.504   4.521  10.656
  694    HD2  HIS  85           HD2      HIS  85  15.818   0.943  11.926
  695    HE1  HIS  85           HE1      HIS  85  19.180   3.511  12.236
  696    HE2  HIS  85           HE2      HIS  85  18.097   1.391  13.062
  697    H    HIS  86           H        HIS  86  13.656   0.943   7.348
  698    HA   HIS  86           HA       HIS  86  11.818   3.102   6.539
  699   1HB   HIS  86           HB2      HIS  86  12.594   0.595   5.032
  700   2HB   HIS  86           HB3      HIS  86  11.382   1.754   4.501
  701    HD1  HIS  86           HD1      HIS  86  14.655   2.864   5.969
  702    HD2  HIS  86           HD2      HIS  86  12.805   2.549   2.263
  703    HE1  HIS  86           HE1      HIS  86  16.131   4.125   4.373
  704    HE2  HIS  86           HE2      HIS  86  14.940   4.004   2.157
  705    H    THR  87           H        THR  87   9.572   2.349   6.043
  706    HA   THR  87           HA       THR  87   8.698  -0.125   7.227
  707    HB   THR  87           HB       THR  87   7.808   2.449   8.538
  708    HG1  THR  87           HG1      THR  87   9.176   1.958  10.164
  709   1HG2  THR  87          3HG2      THR  87   6.102   0.694   8.512
  710   2HG2  THR  87          2HG2      THR  87   7.253  -0.439   9.222
  711   3HG2  THR  87          1HG2      THR  87   6.713   0.964  10.144
  712    H    LEU  88           H        LEU  88   6.407  -0.505   6.970
  713    HA   LEU  88           HA       LEU  88   5.111   1.265   5.004
  714   1HB   LEU  88           HB2      LEU  88   5.845  -0.659   3.799
  715   2HB   LEU  88           HB3      LEU  88   5.254  -1.742   5.040
  716    HG   LEU  88           HG       LEU  88   2.916  -0.901   4.454
  717   1HD1  LEU  88          1HD1      LEU  88   3.617   1.098   3.239
  718   2HD1  LEU  88          3HD1      LEU  88   4.371   0.084   2.010
  719   3HD1  LEU  88          2HD1      LEU  88   2.623   0.040   2.237
  720   1HD2  LEU  88          1HD2      LEU  88   4.553  -2.481   2.488
  721   2HD2  LEU  88          3HD2      LEU  88   3.596  -3.103   3.832
  722   3HD2  LEU  88          2HD2      LEU  88   2.795  -2.368   2.442
  723    H    GLU  89           H        GLU  89   3.890   2.255   6.626
  724    HA   GLU  89           HA       GLU  89   2.343   0.773   8.497
  725   1HB   GLU  89           HB2      GLU  89   2.328   3.658   7.637
  726   2HB   GLU  89           HB3      GLU  89   1.236   3.025   8.861
  727   1HG   GLU  89           HG2      GLU  89   3.096   2.365  10.228
  728   2HG   GLU  89           HG3      GLU  89   4.234   2.914   9.001
  729    H    LEU  90           H        LEU  90   0.989  -0.663   7.421
  730    HA   LEU  90           HA       LEU  90  -1.028   0.540   5.654
  731   1HB   LEU  90           HB2      LEU  90  -0.186  -2.326   6.054
  732   2HB   LEU  90           HB3      LEU  90  -1.623  -1.879   5.160
  733    HG   LEU  90           HG       LEU  90   1.214  -1.129   4.448
  734   1HD1  LEU  90          1HD1      LEU  90  -0.739  -3.078   3.244
  735   2HD1  LEU  90          3HD1      LEU  90   0.749  -2.553   2.457
  736   3HD1  LEU  90          2HD1      LEU  90   0.822  -3.438   3.979
  737   1HD2  LEU  90          2HD2      LEU  90  -1.385  -0.511   3.050
  738   2HD2  LEU  90          1HD2      LEU  90  -0.301   0.650   3.817
  739   3HD2  LEU  90          3HD2      LEU  90   0.223  -0.231   2.382
  740    H    VAL  91           H        VAL  91  -3.133   0.628   6.227
  741    HA   VAL  91           HA       VAL  91  -3.983  -0.771   8.661
  742    HB   VAL  91           HB       VAL  91  -3.294   1.468   9.358
  743   1HG1  VAL  91          3HG1      VAL  91  -5.293   2.424   7.309
  744   2HG1  VAL  91          2HG1      VAL  91  -4.544   3.449   8.534
  745   3HG1  VAL  91          1HG1      VAL  91  -3.546   2.682   7.298
  746   1HG2  VAL  91          1HG2      VAL  91  -6.282   1.060   9.374
  747   2HG2  VAL  91          3HG2      VAL  91  -5.123   0.472  10.568
  748   3HG2  VAL  91          2HG2      VAL  91  -5.415   2.202  10.399
  749    H    TYR  92           H        TYR  92  -6.257  -1.009   8.885
  750    HA   TYR  92           HA       TYR  92  -7.722  -0.923   6.351
  751   1HB   TYR  92           HB2      TYR  92  -7.504  -3.012   7.896
  752   2HB   TYR  92           HB3      TYR  92  -8.713  -2.205   8.887
  753    HD1  TYR  92           HD1      TYR  92 -10.607  -3.544   8.654
  754    HD2  TYR  92           HD2      TYR  92  -8.478  -2.339   5.173
  755    HE1  TYR  92           HE1      TYR  92 -12.383  -4.495   7.245
  756    HE2  TYR  92           HE2      TYR  92 -10.250  -3.285   3.755
  757    HH   TYR  92           HH       TYR  92 -12.019  -4.985   3.910
  758    H    THR  93           H        THR  93  -8.292   1.254   6.265
  759    HA   THR  93           HA       THR  93 -10.034   2.238   8.442
  760    HB   THR  93           HB       THR  93  -7.980   3.503   8.362
  761    HG1  THR  93           HG1      THR  93  -9.472   5.407   7.108
  762   1HG2  THR  93          3HG2      THR  93  -8.536   3.472   5.445
  763   2HG2  THR  93          2HG2      THR  93  -7.767   4.914   6.114
  764   3HG2  THR  93          1HG2      THR  93  -7.003   3.333   6.306
  765    H    ARG  94           H        ARG  94 -11.442   4.114   7.680
  766    HA   ARG  94           HA       ARG  94 -12.746   3.346   5.164
  767   1HB   ARG  94           HB2      ARG  94 -13.783   4.978   7.489
  768   2HB   ARG  94           HB3      ARG  94 -14.696   4.602   6.034
  769   1HG   ARG  94           HG2      ARG  94 -14.503   2.201   6.576
  770   2HG   ARG  94           HG3      ARG  94 -13.686   2.639   8.078
  771   1HD   ARG  94           HD2      ARG  94 -16.048   2.200   8.470
  772   2HD   ARG  94           HD3      ARG  94 -15.657   3.889   8.793
  773    HE   ARG  94           HE       ARG  94 -16.522   3.730   6.157
  774   1HH1  ARG  94          1HH1      ARG  94 -17.807   3.201   9.352
  775   2HH1  ARG  94          2HH1      ARG  94 -19.429   3.611   8.908
  776   1HH2  ARG  94          1HH2      ARG  94 -18.655   4.273   5.563
  777   2HH2  ARG  94          2HH2      ARG  94 -19.911   4.220   6.754
  778    HA   PRO  95           HA       PRO  95 -10.389   7.010   3.695
  779   1HB   PRO  95           HB2      PRO  95 -11.989   6.156   1.318
  780   2HB   PRO  95           HB3      PRO  95 -10.300   6.661   1.411
  781   1HG   PRO  95           HG2      PRO  95 -10.935   4.084   1.193
  782   2HG   PRO  95           HG3      PRO  95  -9.599   4.606   2.232
  783   1HD   PRO  95           HD2      PRO  95 -12.317   3.662   2.976
  784   2HD   PRO  95           HD3      PRO  95 -10.781   3.490   3.845
  785    H    PHE  96           H        PHE  96 -13.817   6.270   3.390
  786    HA   PHE  96           HA       PHE  96 -14.605   8.896   2.635
  787   1HB   PHE  96           HB2      PHE  96 -16.548   7.082   3.952
  788   2HB   PHE  96           HB3      PHE  96 -16.692   8.013   2.471
  789    HD1  PHE  96           HD1      PHE  96 -16.631   4.812   3.688
  790    HD2  PHE  96           HD2      PHE  96 -14.931   7.173   0.581
  791    HE1  PHE  96           HE1      PHE  96 -16.230   2.777   2.365
  792    HE2  PHE  96           HE2      PHE  96 -14.528   5.141  -0.747
  793    HZ   PHE  96           HZ       PHE  96 -15.179   2.940   0.144
  794    H    GLU  97           H        GLU  97 -14.376   7.135   5.683
  795    HA   GLU  97           HA       GLU  97 -15.381   9.477   7.132
  796   1HB   GLU  97           HB2      GLU  97 -14.804   6.678   8.125
  797   2HB   GLU  97           HB3      GLU  97 -15.493   7.979   9.086
  798   1HG   GLU  97           HG2      GLU  97 -16.755   6.729   6.655
  799   2HG   GLU  97           HG3      GLU  97 -17.198   6.413   8.332
  800    H    GLY  98           H        GLY  98 -12.995   7.064   8.147
  801   1HA   GLY  98           HA3      GLY  98 -11.412   8.983   9.516
  802   2HA   GLY  98           HA2      GLY  98 -10.669   8.582   7.974
  803    H    ILE  99           H        ILE  99  -9.073   7.984   9.836
  804    HA   ILE  99           HA       ILE  99  -9.224   5.078  10.035
  805    HB   ILE  99           HB       ILE  99  -6.842   6.722  10.807
  806   1HG1  ILE  99          2HG1      ILE  99  -7.317   5.707   8.010
  807   2HG1  ILE  99          3HG1      ILE  99  -7.793   7.334   8.488
  808   1HG2  ILE  99          2HG2      ILE  99  -7.416   3.893  10.060
  809   2HG2  ILE  99          1HG2      ILE  99  -5.819   4.560   9.708
  810   3HG2  ILE  99          3HG2      ILE  99  -6.419   4.535  11.365
  811   1HD1  ILE  99          1HD1      ILE  99  -5.468   7.821   9.078
  812   2HD1  ILE  99          3HD1      ILE  99  -5.006   6.197   8.571
  813   3HD1  ILE  99          2HD1      ILE  99  -5.636   7.343   7.387
  814    H    LYS 100           H        LYS 100  -8.674   3.977  11.978
  815    HA   LYS 100           HA       LYS 100  -8.881   5.520  14.456
  816   1HB   LYS 100           HB2      LYS 100 -10.586   3.101  13.858
  817   2HB   LYS 100           HB3      LYS 100 -10.598   4.040  15.335
  818   1HG   LYS 100           HG2      LYS 100 -11.525   5.933  14.210
  819   2HG   LYS 100           HG3      LYS 100 -11.315   5.160  12.636
  820   1HD   LYS 100           HD2      LYS 100 -12.818   3.366  14.183
  821   2HD   LYS 100           HD3      LYS 100 -13.507   4.963  14.488
  822   1HE   LYS 100           HE2      LYS 100 -13.721   5.332  12.078
  823   2HE   LYS 100           HE3      LYS 100 -13.023   3.741  11.773
  824   1HZ   LYS 100           HZ3      LYS 100 -15.566   4.260  13.218
  825   2HZ   LYS 100           HZ2      LYS 100 -15.434   3.701  11.627
  826   3HZ   LYS 100           HZ1      LYS 100 -14.900   2.735  12.909
  827    HA   PRO 101           HA       PRO 101  -5.877   2.699  16.005
  828   1HB   PRO 101           HB2      PRO 101  -6.605   2.397  18.599
  829   2HB   PRO 101           HB3      PRO 101  -5.910   3.895  17.970
  830   1HG   PRO 101           HG2      PRO 101  -8.777   3.208  18.495
  831   2HG   PRO 101           HG3      PRO 101  -7.905   4.712  18.845
  832   1HD   PRO 101           HD2      PRO 101  -9.530   4.416  16.692
  833   2HD   PRO 101           HD3      PRO 101  -8.110   5.480  16.690
  834    H    GLU 102           H        GLU 102  -9.208   1.862  16.881
  835    HA   GLU 102           HA       GLU 102  -8.726  -0.843  17.481
  836   1HB   GLU 102           HB2      GLU 102 -11.189  -1.110  17.135
  837   2HB   GLU 102           HB3      GLU 102 -10.739   0.163  18.264
  838   1HG   GLU 102           HG2      GLU 102 -11.038   1.820  16.510
  839   2HG   GLU 102           HG3      GLU 102 -11.500   0.545  15.386
  840    H    ASN 103           H        ASN 103  -9.203   0.854  14.492
  841    HA   ASN 103           HA       ASN 103 -10.009  -1.192  12.800
  842   1HB   ASN 103           HB2      ASN 103  -8.154   1.125  12.232
  843   2HB   ASN 103           HB3      ASN 103  -8.874   0.102  10.995
  844   1HD2  ASN 103          1HD2      ASN 103 -11.377  -0.131  12.580
  845   2HD2  ASN 103          2HD2      ASN 103 -12.200   1.366  12.337
  846    H    GLU 104           H        GLU 104  -8.875  -2.576  11.371
  847    HA   GLU 104           HA       GLU 104  -6.876  -4.114  12.483
  848   1HB   GLU 104           HB2      GLU 104  -8.439  -4.322  10.289
  849   2HB   GLU 104           HB3      GLU 104  -6.900  -3.957   9.529
  850   1HG   GLU 104           HG2      GLU 104  -5.891  -5.881  10.389
  851   2HG   GLU 104           HG3      GLU 104  -7.182  -6.146  11.560
  852    H    ARG 105           H        ARG 105  -4.664  -4.419  11.869
  853    HA   ARG 105           HA       ARG 105  -3.337  -1.979  10.882
  854   1HB   ARG 105           HB2      ARG 105  -3.174  -2.209  13.367
  855   2HB   ARG 105           HB3      ARG 105  -2.365  -3.747  13.138
  856   1HG   ARG 105           HG2      ARG 105  -0.557  -2.386  13.457
  857   2HG   ARG 105           HG3      ARG 105  -0.715  -2.302  11.699
  858   1HD   ARG 105           HD2      ARG 105  -0.406  -0.083  12.630
  859   2HD   ARG 105           HD3      ARG 105  -2.003  -0.243  11.896
  860    HE   ARG 105           HE       ARG 105  -2.308  -0.877  14.564
  861   1HH1  ARG 105          1HH1      ARG 105  -1.298   1.888  12.697
  862   2HH1  ARG 105          2HH1      ARG 105  -1.853   3.041  13.864
  863   1HH2  ARG 105          1HH2      ARG 105  -3.042   0.636  16.106
  864   2HH2  ARG 105          2HH2      ARG 105  -2.844   2.330  15.801
  865    H    TYR 106           H        TYR 106  -1.113  -2.390  10.108
  866    HA   TYR 106           HA       TYR 106  -0.046  -4.945   9.694
  867   1HB   TYR 106           HB2      TYR 106  -2.008  -5.116   8.152
  868   2HB   TYR 106           HB3      TYR 106  -1.327  -3.790   7.210
  869    HD1  TYR 106           HD1      TYR 106  -0.852  -7.298   8.240
  870    HD2  TYR 106           HD2      TYR 106   0.492  -4.164   5.699
  871    HE1  TYR 106           HE1      TYR 106   0.471  -8.920   6.950
  872    HE2  TYR 106           HE2      TYR 106   1.819  -5.776   4.402
  873    HH   TYR 106           HH       TYR 106   1.438  -9.134   4.701
  874    H    THR 107           H        THR 107   1.337  -3.175  10.682
  875    HA   THR 107           HA       THR 107   2.576  -1.379   8.771
  876    HB   THR 107           HB       THR 107   3.401  -1.845  11.639
  877    HG1  THR 107           HG1      THR 107   1.235  -1.234  11.670
  878   1HG2  THR 107          1HG2      THR 107   3.731   0.507   9.775
  879   2HG2  THR 107          3HG2      THR 107   4.243   0.455  11.462
  880   3HG2  THR 107          2HG2      THR 107   5.001  -0.608  10.277
  881    H    LEU 108           H        LEU 108   3.665  -2.685   7.330
  882    HA   LEU 108           HA       LEU 108   5.406  -4.790   8.175
  883   1HB   LEU 108           HB2      LEU 108   4.337  -4.917   6.020
  884   2HB   LEU 108           HB3      LEU 108   5.057  -3.405   5.522
  885    HG   LEU 108           HG       LEU 108   7.249  -4.400   5.427
  886   1HD1  LEU 108          1HD1      LEU 108   5.940  -6.903   6.476
  887   2HD1  LEU 108          3HD1      LEU 108   7.603  -6.779   5.901
  888   3HD1  LEU 108          2HD1      LEU 108   7.098  -5.888   7.335
  889   1HD2  LEU 108          2HD2      LEU 108   5.201  -6.172   4.113
  890   2HD2  LEU 108          1HD2      LEU 108   5.847  -4.664   3.464
  891   3HD2  LEU 108          3HD2      LEU 108   6.905  -6.060   3.671
  892    H    HIS 109           H        HIS 109   6.987  -4.040   9.521
  893    HA   HIS 109           HA       HIS 109   8.569  -1.735   8.835
  894   1HB   HIS 109           HB2      HIS 109   8.533  -3.676  11.091
  895   2HB   HIS 109           HB3      HIS 109   9.962  -2.686  10.834
  896    HD1  HIS 109           HD1      HIS 109   9.874  -0.321  11.664
  897    HD2  HIS 109           HD2      HIS 109   6.143  -2.150  11.634
  898    HE1  HIS 109           HE1      HIS 109   8.330   1.282  12.836
  899    HE2  HIS 109           HE2      HIS 109   6.097   0.116  12.881
  900    H    LEU 110           H        LEU 110  10.681  -1.688   8.205
  901    HA   LEU 110           HA       LEU 110  12.006  -4.168   7.457
  902   1HB   LEU 110           HB2      LEU 110  11.448  -1.943   5.497
  903   2HB   LEU 110           HB3      LEU 110  12.460  -3.337   5.179
  904    HG   LEU 110           HG       LEU 110   9.503  -3.476   5.789
  905   1HD1  LEU 110          1HD1      LEU 110  10.951  -3.628   3.149
  906   2HD1  LEU 110          3HD1      LEU 110   9.235  -3.948   3.398
  907   3HD1  LEU 110          2HD1      LEU 110   9.882  -2.331   3.682
  908   1HD2  LEU 110          2HD2      LEU 110  10.834  -5.486   6.369
  909   2HD2  LEU 110          1HD2      LEU 110   9.655  -5.768   5.088
  910   3HD2  LEU 110          3HD2      LEU 110  11.361  -5.577   4.689
  911    H    ASN 111           H        ASN 111  13.847  -3.913   8.601
  912    HA   ASN 111           HA       ASN 111  15.125  -1.331   8.830
  913   1HB   ASN 111           HB2      ASN 111  15.142  -2.887  10.740
  914   2HB   ASN 111           HB3      ASN 111  16.028  -4.064   9.777
  915   1HD2  ASN 111          1HD2      ASN 111  17.766  -4.103  11.170
  916   2HD2  ASN 111          2HD2      ASN 111  18.879  -2.788  11.306
  917    H    VAL 112           H        VAL 112  15.154  -1.352   6.391
  918    HA   VAL 112           HA       VAL 112  16.589  -2.923   4.720
  919    HB   VAL 112           HB       VAL 112  16.959   0.039   4.468
  920   1HG1  VAL 112          2HG1      VAL 112  16.305  -2.157   2.516
  921   2HG1  VAL 112          1HG1      VAL 112  16.543  -0.460   2.103
  922   3HG1  VAL 112          3HG1      VAL 112  17.884  -1.406   2.752
  923   1HG2  VAL 112          3HG2      VAL 112  14.358  -1.449   4.191
  924   2HG2  VAL 112          2HG2      VAL 112  14.703  -0.043   5.198
  925   3HG2  VAL 112          1HG2      VAL 112  14.663   0.118   3.442
  926    H    LYS 113           H        LYS 113  18.681  -3.340   4.234
  927    HA   LYS 113           HA       LYS 113  20.688  -2.602   6.146
  928   1HB   LYS 113           HB2      LYS 113  20.908  -4.159   3.565
  929   2HB   LYS 113           HB3      LYS 113  22.176  -4.013   4.774
  930   1HG   LYS 113           HG2      LYS 113  19.475  -5.232   5.289
  931   2HG   LYS 113           HG3      LYS 113  20.929  -6.145   4.881
  932   1HD   LYS 113           HD2      LYS 113  22.040  -5.273   6.877
  933   2HD   LYS 113           HD3      LYS 113  20.593  -4.350   7.283
  934   1HE   LYS 113           HE2      LYS 113  20.702  -6.400   8.585
  935   2HE   LYS 113           HE3      LYS 113  19.324  -6.429   7.484
  936   1HZ   LYS 113           HZ3      LYS 113  20.607  -7.809   5.972
  937   2HZ   LYS 113           HZ2      LYS 113  21.927  -7.783   7.028
  938   3HZ   LYS 113           HZ1      LYS 113  20.489  -8.541   7.493

  No H/Q in entry =         938
  Start of MODEL   28
    1    H1   GLY  -2           HT2      GLY  -2  -2.940 -21.308   9.740
    2    H2   GLY  -2           HT1      GLY  -2  -3.592 -21.797  11.222
    3    H3   GLY  -2           HT3      GLY  -2  -1.983 -22.161  10.843
    4   1HA   GLY  -2           HA2      GLY  -2  -3.362 -24.119  10.596
    5   2HA   GLY  -2           HA3      GLY  -2  -2.684 -23.613   9.056
    6    H    SER  -1           H        SER  -1  -4.993 -21.402   9.942
    7    HA   SER  -1           HA       SER  -1  -6.888 -22.528   8.041
    8   1HB   SER  -1           HB2      SER  -1  -8.805 -22.203   9.567
    9   2HB   SER  -1           HB3      SER  -1  -7.676 -23.409  10.185
   10    HG   SER  -1           HG       SER  -1  -7.638 -20.683  10.961
   11    H    HIS   0           H        HIS   0  -8.644 -20.946   7.523
   12    HA   HIS   0           HA       HIS   0  -7.488 -18.262   7.408
   13   1HB   HIS   0           HB2      HIS   0  -9.817 -19.467   5.898
   14   2HB   HIS   0           HB3      HIS   0  -9.176 -17.847   5.649
   15    HD1  HIS   0           HD1      HIS   0  -7.201 -17.610   4.112
   16    HD2  HIS   0           HD2      HIS   0  -8.021 -21.568   5.073
   17    HE1  HIS   0           HE1      HIS   0  -5.726 -18.986   2.610
   18    HE2  HIS   0           HE2      HIS   0  -6.304 -21.378   3.148
   19    H    MET   1           H        MET   1  -8.269 -16.602   8.537
   20    HA   MET   1           HA       MET   1 -10.536 -17.043  10.293
   21   1HB   MET   1           HB2      MET   1  -8.685 -14.667  10.017
   22   2HB   MET   1           HB3      MET   1  -9.912 -14.859  11.263
   23   1HG   MET   1           HG2      MET   1  -7.511 -16.628  10.858
   24   2HG   MET   1           HG3      MET   1  -7.698 -15.395  12.104
   25   1HE   MET   1           HE2      MET   1  -7.069 -17.192  13.964
   26   2HE   MET   1           HE1      MET   1  -7.887 -18.745  14.136
   27   3HE   MET   1           HE3      MET   1  -6.890 -18.426  12.717
   28    H    ILE   2           H        ILE   2 -12.542 -16.428   9.857
   29    HA   ILE   2           HA       ILE   2 -13.055 -14.776   7.517
   30    HB   ILE   2           HB       ILE   2 -15.415 -15.376   7.848
   31   1HG1  ILE   2          2HG1      ILE   2 -14.416 -17.026  10.182
   32   2HG1  ILE   2          3HG1      ILE   2 -15.318 -15.520  10.333
   33   1HG2  ILE   2          1HG2      ILE   2 -13.983 -16.816   6.504
   34   2HG2  ILE   2          3HG2      ILE   2 -13.536 -17.733   7.943
   35   3HG2  ILE   2          2HG2      ILE   2 -15.200 -17.764   7.359
   36   1HD1  ILE   2          3HD1      ILE   2 -17.222 -16.553   9.204
   37   2HD1  ILE   2          2HD1      ILE   2 -16.319 -18.062   9.073
   38   3HD1  ILE   2          1HD1      ILE   2 -16.761 -17.434  10.661
   39    H    ALA   3           H        ALA   3 -12.275 -14.023  10.527
   40    HA   ALA   3           HA       ALA   3 -14.172 -11.770  10.671
   41   1HB   ALA   3           HB1      ALA   3 -12.800 -13.154  12.973
   42   2HB   ALA   3           HB2      ALA   3 -14.495 -13.331  12.522
   43   3HB   ALA   3           HB3      ALA   3 -13.893 -11.775  13.093
   44    HA   PRO   4           HA       PRO   4  -9.986  -9.930  10.070
   45   1HB   PRO   4           HB2      PRO   4 -11.338  -7.978   8.397
   46   2HB   PRO   4           HB3      PRO   4 -10.085  -9.138   7.952
   47   1HG   PRO   4           HG2      PRO   4 -12.656  -9.316   7.081
   48   2HG   PRO   4           HG3      PRO   4 -11.602 -10.724   7.300
   49   1HD   PRO   4           HD2      PRO   4 -13.757  -9.673   9.095
   50   2HD   PRO   4           HD3      PRO   4 -13.366 -11.353   8.665
   51    H    LEU   5           H        LEU   5 -12.351  -9.332  12.007
   52    HA   LEU   5           HA       LEU   5 -12.654  -6.588  12.330
   53   1HB   LEU   5           HB2      LEU   5 -13.995  -8.272  13.512
   54   2HB   LEU   5           HB3      LEU   5 -12.595  -8.721  14.466
   55    HG   LEU   5           HG       LEU   5 -12.566  -6.405  15.406
   56   1HD1  LEU   5          1HD1      LEU   5 -13.751  -5.282  13.590
   57   2HD1  LEU   5          3HD1      LEU   5 -15.219  -6.172  13.993
   58   3HD1  LEU   5          2HD1      LEU   5 -14.548  -5.012  15.140
   59   1HD2  LEU   5          1HD2      LEU   5 -15.106  -7.980  15.799
   60   2HD2  LEU   5          3HD2      LEU   5 -13.575  -8.244  16.635
   61   3HD2  LEU   5          2HD2      LEU   5 -14.476  -6.751  16.896
   62    H    SER   6           H        SER   6 -10.499  -8.671  14.272
   63    HA   SER   6           HA       SER   6  -8.472  -6.569  14.223
   64   1HB   SER   6           HB2      SER   6  -9.552  -7.765  16.787
   65   2HB   SER   6           HB3      SER   6  -8.168  -6.678  16.670
   66    HG   SER   6           HG       SER   6 -10.879  -6.137  16.472
   67    H    VAL   7           H        VAL   7  -9.414  -9.873  14.742
   68    HA   VAL   7           HA       VAL   7  -6.773 -10.821  15.363
   69    HB   VAL   7           HB       VAL   7  -9.247 -12.344  14.530
   70   1HG1  VAL   7          2HG1      VAL   7  -6.621 -13.330  15.637
   71   2HG1  VAL   7          1HG1      VAL   7  -8.074 -14.314  15.454
   72   3HG1  VAL   7          3HG1      VAL   7  -7.277 -13.646  14.030
   73   1HG2  VAL   7          3HG2      VAL   7  -9.521 -11.152  16.639
   74   2HG2  VAL   7          2HG2      VAL   7  -9.436 -12.893  16.908
   75   3HG2  VAL   7          1HG2      VAL   7  -8.035 -11.876  17.252
   76    H    LYS   8           H        LYS   8  -5.290 -10.472  13.801
   77    HA   LYS   8           HA       LYS   8  -5.209 -12.108  11.532
   78   1HB   LYS   8           HB2      LYS   8  -6.922 -10.555  10.671
   79   2HB   LYS   8           HB3      LYS   8  -5.825  -9.207  10.934
   80   1HG   LYS   8           HG2      LYS   8  -5.812  -9.797   8.611
   81   2HG   LYS   8           HG3      LYS   8  -4.253 -10.216   9.322
   82   1HD   LYS   8           HD2      LYS   8  -4.971 -12.551   9.518
   83   2HD   LYS   8           HD3      LYS   8  -6.524 -12.130   8.793
   84   1HE   LYS   8           HE2      LYS   8  -5.031 -13.119   7.142
   85   2HE   LYS   8           HE3      LYS   8  -5.387 -11.438   6.746
   86   1HZ   LYS   8           HZ3      LYS   8  -3.255 -10.802   7.688
   87   2HZ   LYS   8           HZ2      LYS   8  -2.913 -12.415   8.065
   88   3HZ   LYS   8           HZ1      LYS   8  -3.046 -11.936   6.449
   89    H    ASP   9           H        ASP   9  -3.153 -12.275  10.862
   90    HA   ASP   9           HA       ASP   9  -1.096 -11.010  12.310
   91   1HB   ASP   9           HB2      ASP   9  -0.863 -13.237  11.242
   92   2HB   ASP   9           HB3      ASP   9  -0.886 -12.458   9.662
   93    H    ASN  10           H        ASN  10  -0.214  -9.065  12.068
   94    HA   ASN  10           HA       ASN  10  -0.415  -7.755   9.457
   95   1HB   ASN  10           HB2      ASN  10  -0.453  -5.604  10.963
   96   2HB   ASN  10           HB3      ASN  10  -1.930  -6.487  10.620
   97   1HD2  ASN  10          1HD2      ASN  10  -1.270  -4.709  12.801
   98   2HD2  ASN  10          2HD2      ASN  10  -1.485  -5.622  14.246
   99    H    ASP  11           H        ASP  11   1.234  -7.410  12.567
  100    HA   ASP  11           HA       ASP  11   3.388  -5.939  11.693
  101   1HB   ASP  11           HB2      ASP  11   4.521  -6.677  13.725
  102   2HB   ASP  11           HB3      ASP  11   2.849  -6.243  14.050
  103    H    LYS  12           H        LYS  12   4.417  -6.523   9.909
  104    HA   LYS  12           HA       LYS  12   5.724  -9.156   9.845
  105   1HB   LYS  12           HB2      LYS  12   4.125  -8.866   8.010
  106   2HB   LYS  12           HB3      LYS  12   4.893  -7.351   7.557
  107   1HG   LYS  12           HG2      LYS  12   5.664  -8.944   6.022
  108   2HG   LYS  12           HG3      LYS  12   6.986  -8.679   7.159
  109   1HD   LYS  12           HD2      LYS  12   5.079 -10.871   7.757
  110   2HD   LYS  12           HD3      LYS  12   6.215 -11.116   6.431
  111   1HE   LYS  12           HE2      LYS  12   8.075 -10.590   7.952
  112   2HE   LYS  12           HE3      LYS  12   6.925 -10.405   9.274
  113   1HZ   LYS  12           HZ1      LYS  12   6.290 -12.719   9.001
  114   2HZ   LYS  12           HZ3      LYS  12   7.395 -12.898   7.732
  115   3HZ   LYS  12           HZ2      LYS  12   7.949 -12.587   9.300
  116    H    TRP  13           H        TRP  13   7.024  -7.685  11.379
  117    HA   TRP  13           HA       TRP  13   8.719  -5.715  10.197
  118   1HB   TRP  13           HB2      TRP  13   8.981  -7.020  12.910
  119   2HB   TRP  13           HB3      TRP  13   9.560  -5.437  12.418
  120    HD1  TRP  13           HD1      TRP  13   6.218  -5.663  11.012
  121    HE1  TRP  13           HE1      TRP  13   4.468  -4.527  12.501
  122    HE3  TRP  13           HE3      TRP  13   8.956  -5.217  15.319
  123    HZ2  TRP  13           HZ2      TRP  13   4.241  -3.570  15.121
  124    HZ3  TRP  13           HZ3      TRP  13   7.885  -4.174  17.276
  125    HH2  TRP  13           HH2      TRP  13   5.581  -3.368  17.181
  126    H    VAL  14           H        VAL  14  10.519  -6.100   9.072
  127    HA   VAL  14           HA       VAL  14  12.316  -8.258   9.844
  128    HB   VAL  14           HB       VAL  14  12.404  -9.158   7.494
  129   1HG1  VAL  14          2HG1      VAL  14  11.347 -10.394   9.315
  130   2HG1  VAL  14          1HG1      VAL  14   9.822  -9.567   8.996
  131   3HG1  VAL  14          3HG1      VAL  14  10.504 -10.656   7.789
  132   1HG2  VAL  14          1HG2      VAL  14  11.258  -7.314   6.383
  133   2HG2  VAL  14          3HG2      VAL  14  10.442  -8.847   6.075
  134   3HG2  VAL  14          2HG2      VAL  14   9.771  -7.712   7.245
  135    H    ASP  15           H        ASP  15  13.998  -8.436   7.878
  136    HA   ASP  15           HA       ASP  15  15.188  -5.780   7.691
  137   1HB   ASP  15           HB2      ASP  15  16.137  -8.584   7.640
  138   2HB   ASP  15           HB3      ASP  15  17.054  -7.437   6.663
  139    H    THR  16           H        THR  16  16.582  -5.567   5.526
  140    HA   THR  16           HA       THR  16  15.597  -6.723   3.154
  141    HB   THR  16           HB       THR  16  13.655  -5.174   3.999
  142    HG1  THR  16           HG1      THR  16  12.974  -5.265   1.953
  143   1HG2  THR  16          1HG2      THR  16  15.057  -3.173   4.274
  144   2HG2  THR  16          3HG2      THR  16  15.397  -3.189   2.544
  145   3HG2  THR  16          2HG2      THR  16  13.751  -2.915   3.117
  146    H    HIS  17           H        HIS  17  16.126  -5.254   1.183
  147    HA   HIS  17           HA       HIS  17  18.714  -3.938   1.682
  148   1HB   HIS  17           HB2      HIS  17  17.757  -5.482  -0.739
  149   2HB   HIS  17           HB3      HIS  17  19.258  -4.564  -0.685
  150    HD1  HIS  17           HD1      HIS  17  21.240  -5.914  -0.117
  151    HD2  HIS  17           HD2      HIS  17  17.760  -7.555   1.452
  152    HE1  HIS  17           HE1      HIS  17  21.948  -8.057   0.992
  153    HE2  HIS  17           HE2      HIS  17  19.840  -8.988   2.008
  154    H    VAL  18           H        VAL  18  18.803  -2.963  -1.107
  155    HA   VAL  18           HA       VAL  18  17.061  -0.656  -0.702
  156    HB   VAL  18           HB       VAL  18  19.217  -1.018  -2.783
  157   1HG1  VAL  18          1HG1      VAL  18  17.676   1.404  -1.848
  158   2HG1  VAL  18          3HG1      VAL  18  19.091   1.464  -2.901
  159   3HG1  VAL  18          2HG1      VAL  18  17.621   0.655  -3.444
  160   1HG2  VAL  18          1HG2      VAL  18  19.331   0.359  -0.101
  161   2HG2  VAL  18          3HG2      VAL  18  20.165  -1.129  -0.546
  162   3HG2  VAL  18          2HG2      VAL  18  20.599   0.392  -1.325
  163    H    GLY  19           H        GLY  19  15.299  -0.258  -1.821
  164   1HA   GLY  19           HA3      GLY  19  14.873  -0.898  -4.536
  165   2HA   GLY  19           HA2      GLY  19  13.651  -0.376  -3.396
  166    H    LYS  20           H        LYS  20  14.671  -2.906  -1.792
  167    HA   LYS  20           HA       LYS  20  13.938  -5.172  -3.231
  168   1HB   LYS  20           HB2      LYS  20  14.880  -4.771  -0.749
  169   2HB   LYS  20           HB3      LYS  20  13.201  -5.079  -0.359
  170   1HG   LYS  20           HG2      LYS  20  14.152  -7.171  -0.220
  171   2HG   LYS  20           HG3      LYS  20  13.467  -7.161  -1.852
  172   1HD   LYS  20           HD2      LYS  20  15.557  -6.800  -2.843
  173   2HD   LYS  20           HD3      LYS  20  16.275  -6.300  -1.312
  174   1HE   LYS  20           HE2      LYS  20  15.394  -9.083  -2.079
  175   2HE   LYS  20           HE3      LYS  20  17.054  -8.520  -1.892
  176   1HZ   LYS  20           HZ1      LYS  20  16.586  -8.109   0.460
  177   2HZ   LYS  20           HZ3      LYS  20  15.020  -8.719   0.263
  178   3HZ   LYS  20           HZ2      LYS  20  16.357  -9.734   0.053
  179    H    THR  21           H        THR  21  12.140  -4.637  -4.503
  180    HA   THR  21           HA       THR  21   9.741  -3.553  -3.612
  181    HB   THR  21           HB       THR  21   9.840  -5.614  -5.799
  182    HG1  THR  21           HG1      THR  21  11.227  -4.380  -6.806
  183   1HG2  THR  21          2HG2      THR  21   7.672  -4.591  -5.111
  184   2HG2  THR  21          1HG2      THR  21   8.324  -3.015  -5.558
  185   3HG2  THR  21          3HG2      THR  21   8.111  -4.262  -6.788
  186    H    THR  22           H        THR  22   8.908  -4.382  -1.755
  187    HA   THR  22           HA       THR  22   8.494  -7.247  -1.498
  188    HB   THR  22           HB       THR  22   7.709  -5.017   0.395
  189    HG1  THR  22           HG1      THR  22   9.701  -5.128   1.102
  190   1HG2  THR  22          3HG2      THR  22   7.867  -8.006   0.809
  191   2HG2  THR  22          2HG2      THR  22   7.521  -6.814   2.060
  192   3HG2  THR  22          1HG2      THR  22   6.390  -7.047   0.728
  193    H    GLU  23           H        GLU  23   6.902  -8.005  -2.705
  194    HA   GLU  23           HA       GLU  23   4.454  -6.525  -3.095
  195   1HB   GLU  23           HB2      GLU  23   5.481  -7.673  -4.983
  196   2HB   GLU  23           HB3      GLU  23   5.398  -9.202  -4.121
  197   1HG   GLU  23           HG2      GLU  23   2.993  -9.156  -4.172
  198   2HG   GLU  23           HG3      GLU  23   3.023  -7.550  -4.897
  199    H    ILE  24           H        ILE  24   2.637  -6.849  -2.023
  200    HA   ILE  24           HA       ILE  24   2.203  -9.392  -0.644
  201    HB   ILE  24           HB       ILE  24   1.779  -6.738   0.710
  202   1HG1  ILE  24          2HG1      ILE  24   3.993  -8.767   1.069
  203   2HG1  ILE  24          3HG1      ILE  24   4.168  -7.129   0.449
  204   1HG2  ILE  24          1HG2      ILE  24   0.299  -8.667   1.329
  205   2HG2  ILE  24          3HG2      ILE  24   1.744  -9.513   1.882
  206   3HG2  ILE  24          2HG2      ILE  24   1.253  -8.008   2.658
  207   1HD1  ILE  24          2HD1      ILE  24   3.453  -6.261   2.641
  208   2HD1  ILE  24          1HD1      ILE  24   3.404  -7.915   3.247
  209   3HD1  ILE  24          3HD1      ILE  24   4.933  -7.216   2.717
  210    H    HIS  25           H        HIS  25   0.415 -10.102  -1.559
  211    HA   HIS  25           HA       HIS  25  -1.673  -8.307  -2.436
  212   1HB   HIS  25           HB2      HIS  25  -1.928 -11.291  -2.417
  213   2HB   HIS  25           HB3      HIS  25  -2.585 -10.131  -3.559
  214    HD1  HIS  25           HD1      HIS  25  -0.078 -12.617  -3.363
  215    HD2  HIS  25           HD2      HIS  25  -0.279  -8.831  -5.063
  216    HE1  HIS  25           HE1      HIS  25   1.752 -12.556  -5.087
  217    HE2  HIS  25           HE2      HIS  25   1.541 -10.294  -6.175
  218    H    LEU  26           H        LEU  26  -3.096  -7.571  -1.021
  219    HA   LEU  26           HA       LEU  26  -3.832  -9.240   1.282
  220   1HB   LEU  26           HB2      LEU  26  -3.640  -6.328   0.830
  221   2HB   LEU  26           HB3      LEU  26  -4.946  -6.866   1.861
  222    HG   LEU  26           HG       LEU  26  -2.943  -8.208   3.018
  223   1HD1  LEU  26          3HD1      LEU  26  -1.661  -5.756   1.836
  224   2HD1  LEU  26          2HD1      LEU  26  -0.974  -6.725   3.142
  225   3HD1  LEU  26          1HD1      LEU  26  -1.211  -7.436   1.542
  226   1HD2  LEU  26          3HD2      LEU  26  -4.498  -6.656   4.107
  227   2HD2  LEU  26          2HD2      LEU  26  -2.841  -6.417   4.660
  228   3HD2  LEU  26          1HD2      LEU  26  -3.554  -5.295   3.501
  229    H    LYS  27           H        LYS  27  -6.083  -9.118   1.987
  230    HA   LYS  27           HA       LYS  27  -7.920  -8.852  -0.296
  231   1HB   LYS  27           HB2      LYS  27  -8.456 -10.690   2.003
  232   2HB   LYS  27           HB3      LYS  27  -9.077 -10.760   0.360
  233   1HG   LYS  27           HG2      LYS  27  -7.579 -12.492   0.354
  234   2HG   LYS  27           HG3      LYS  27  -6.583 -11.181  -0.275
  235   1HD   LYS  27           HD2      LYS  27  -5.657 -10.821   1.962
  236   2HD   LYS  27           HD3      LYS  27  -6.667 -12.123   2.594
  237   1HE   LYS  27           HE2      LYS  27  -5.537 -13.715   1.124
  238   2HE   LYS  27           HE3      LYS  27  -4.530 -12.415   0.487
  239   1HZ   LYS  27           HZ2      LYS  27  -3.619 -12.089   2.705
  240   2HZ   LYS  27           HZ1      LYS  27  -4.577 -13.347   3.306
  241   3HZ   LYS  27           HZ3      LYS  27  -3.363 -13.675   2.174
  242    H    GLY  28           H        GLY  28 -10.144  -8.325   0.262
  243   1HA   GLY  28           HA3      GLY  28 -10.338  -6.034   1.838
  244   2HA   GLY  28           HA2      GLY  28 -10.883  -7.382   2.822
  245    H    ASN  29           H        ASN  29 -12.248  -4.985   1.544
  246    HA   ASN  29           HA       ASN  29 -13.999  -5.937  -0.460
  247   1HB   ASN  29           HB2      ASN  29 -14.798  -7.328   1.443
  248   2HB   ASN  29           HB3      ASN  29 -15.187  -5.851   2.323
  249   1HD2  ASN  29          1HD2      ASN  29 -17.363  -6.466   2.423
  250   2HD2  ASN  29          2HD2      ASN  29 -18.405  -6.340   1.051
  251    HA   PRO  30           HA       PRO  30 -13.916  -1.385  -0.359
  252   1HB   PRO  30           HB2      PRO  30 -15.400  -1.823  -2.887
  253   2HB   PRO  30           HB3      PRO  30 -13.972  -0.833  -2.579
  254   1HG   PRO  30           HG2      PRO  30 -13.790  -3.148  -3.894
  255   2HG   PRO  30           HG3      PRO  30 -12.528  -2.633  -2.763
  256   1HD   PRO  30           HD2      PRO  30 -14.692  -4.656  -2.396
  257   2HD   PRO  30           HD3      PRO  30 -13.012  -4.687  -1.832
  258    H    THR  31           H        THR  31 -16.692  -3.450  -1.100
  259    HA   THR  31           HA       THR  31 -18.630  -1.384  -0.662
  260    HB   THR  31           HB       THR  31 -20.295  -3.200  -0.784
  261    HG1  THR  31           HG1      THR  31 -18.669  -5.197  -1.550
  262   1HG2  THR  31          3HG2      THR  31 -18.161  -3.345  -2.916
  263   2HG2  THR  31          2HG2      THR  31 -19.828  -3.893  -3.092
  264   3HG2  THR  31          1HG2      THR  31 -19.484  -2.180  -2.851
  265    H    THR  32           H        THR  32 -16.629  -2.449   1.503
  266    HA   THR  32           HA       THR  32 -18.547  -3.128   3.600
  267    HB   THR  32           HB       THR  32 -15.526  -3.091   3.611
  268    HG1  THR  32           HG1      THR  32 -15.927  -5.403   3.853
  269   1HG2  THR  32          1HG2      THR  32 -17.466  -3.872   5.786
  270   2HG2  THR  32          3HG2      THR  32 -15.741  -4.237   5.801
  271   3HG2  THR  32          2HG2      THR  32 -16.288  -2.560   5.837
  272    H    GLY  33           H        GLY  33 -16.356  -0.565   2.624
  273   1HA   GLY  33           HA3      GLY  33 -17.261   1.014   4.949
  274   2HA   GLY  33           HA2      GLY  33 -17.273   1.682   3.325
  275    H    TYR  34           H        TYR  34 -14.723  -0.389   4.574
  276    HA   TYR  34           HA       TYR  34 -12.977   1.945   4.875
  277   1HB   TYR  34           HB2      TYR  34 -12.583  -0.922   5.743
  278   2HB   TYR  34           HB3      TYR  34 -11.424   0.374   6.007
  279    HD1  TYR  34           HD1      TYR  34 -14.877  -0.719   6.822
  280    HD2  TYR  34           HD2      TYR  34 -11.592   1.769   7.899
  281    HE1  TYR  34           HE1      TYR  34 -15.992  -0.174   8.944
  282    HE2  TYR  34           HE2      TYR  34 -12.703   2.317  10.022
  283    HH   TYR  34           HH       TYR  34 -14.972   2.356  10.960
  284    H    MET  35           H        MET  35 -10.533   1.091   4.415
  285    HA   MET  35           HA       MET  35 -10.378  -0.245   1.846
  286   1HB   MET  35           HB2      MET  35 -10.466   1.864   0.928
  287   2HB   MET  35           HB3      MET  35  -9.820   2.631   2.371
  288   1HG   MET  35           HG2      MET  35  -7.602   1.710   1.825
  289   2HG   MET  35           HG3      MET  35  -8.279   1.051   0.353
  290   1HE   MET  35           HE2      MET  35 -10.290   3.272  -0.533
  291   2HE   MET  35           HE1      MET  35  -9.335   4.358  -1.541
  292   3HE   MET  35           HE3      MET  35  -9.166   2.613  -1.720
  293    H    TRP  36           H        TRP  36  -8.380  -1.138   1.456
  294    HA   TRP  36           HA       TRP  36  -6.596  -1.260   3.775
  295   1HB   TRP  36           HB2      TRP  36  -7.389  -3.116   1.693
  296   2HB   TRP  36           HB3      TRP  36  -5.645  -3.023   1.850
  297    HD1  TRP  36           HD1      TRP  36  -8.276  -5.101   3.008
  298    HE1  TRP  36           HE1      TRP  36  -7.756  -6.193   5.281
  299    HE3  TRP  36           HE3      TRP  36  -4.410  -2.102   4.489
  300    HZ2  TRP  36           HZ2      TRP  36  -5.950  -5.834   7.409
  301    HZ3  TRP  36           HZ3      TRP  36  -3.343  -2.545   6.661
  302    HH2  TRP  36           HH2      TRP  36  -4.103  -4.373   8.088
  303    H    THR  37           H        THR  37  -5.726   0.853   3.378
  304    HA   THR  37           HA       THR  37  -3.822   0.886   1.125
  305    HB   THR  37           HB       THR  37  -5.693   2.501   0.832
  306    HG1  THR  37           HG1      THR  37  -3.908   3.200  -0.194
  307   1HG2  THR  37          1HG2      THR  37  -4.513   3.777   3.311
  308   2HG2  THR  37          3HG2      THR  37  -5.742   4.503   2.274
  309   3HG2  THR  37          2HG2      THR  37  -6.106   3.033   3.178
  310    H    ARG  38           H        ARG  38  -2.291   3.069   1.803
  311    HA   ARG  38           HA       ARG  38  -0.801   2.003   4.035
  312   1HB   ARG  38           HB2      ARG  38  -0.173   3.501   1.715
  313   2HB   ARG  38           HB3      ARG  38   0.281   4.478   3.096
  314   1HG   ARG  38           HG2      ARG  38   1.696   2.782   3.942
  315   2HG   ARG  38           HG3      ARG  38   1.125   1.642   2.728
  316   1HD   ARG  38           HD2      ARG  38   2.789   4.105   2.285
  317   2HD   ARG  38           HD3      ARG  38   3.235   2.446   2.032
  318    HE   ARG  38           HE       ARG  38   2.086   4.066   0.134
  319   1HH1  ARG  38          1HH1      ARG  38   1.548   0.880   1.464
  320   2HH1  ARG  38          2HH1      ARG  38   1.007   0.212  -0.038
  321   1HH2  ARG  38          1HH2      ARG  38   1.415   3.173  -1.842
  322   2HH2  ARG  38          2HH2      ARG  38   0.937   1.512  -1.914
  323    H    VAL  39           H        VAL  39  -0.526   2.873   6.021
  324    HA   VAL  39           HA       VAL  39  -2.510   4.424   7.177
  325    HB   VAL  39           HB       VAL  39   0.328   3.963   8.100
  326   1HG1  VAL  39          2HG1      VAL  39  -1.991   5.169   9.605
  327   2HG1  VAL  39          1HG1      VAL  39  -0.470   4.655  10.334
  328   3HG1  VAL  39          3HG1      VAL  39  -0.485   5.974   9.164
  329   1HG2  VAL  39          1HG2      VAL  39  -1.168   1.982   7.874
  330   2HG2  VAL  39          3HG2      VAL  39  -0.606   2.275   9.519
  331   3HG2  VAL  39          2HG2      VAL  39  -2.247   2.723   9.056
  332    H    GLY  40           H        GLY  40  -2.787   6.547   7.659
  333   1HA   GLY  40           HA3      GLY  40  -0.831   8.556   7.528
  334   2HA   GLY  40           HA2      GLY  40  -2.567   8.823   7.492
  335    H    PHE  41           H        PHE  41  -2.096   6.824   5.001
  336    HA   PHE  41           HA       PHE  41  -1.650   9.033   3.110
  337   1HB   PHE  41           HB2      PHE  41  -0.764   6.151   2.863
  338   2HB   PHE  41           HB3      PHE  41  -0.634   7.349   1.578
  339    HD1  PHE  41           HD1      PHE  41   0.101   9.679   3.389
  340    HD2  PHE  41           HD2      PHE  41   1.563   5.696   3.118
  341    HE1  PHE  41           HE1      PHE  41   2.275  10.421   4.283
  342    HE2  PHE  41           HE2      PHE  41   3.734   6.424   4.017
  343    HZ   PHE  41           HZ       PHE  41   4.093   8.789   4.601
  344    H    VAL  42           H        VAL  42  -4.098   7.890   4.286
  345    HA   VAL  42           HA       VAL  42  -5.447   6.330   2.339
  346    HB   VAL  42           HB       VAL  42  -6.247   6.351   4.620
  347   1HG1  VAL  42          3HG1      VAL  42  -5.609   8.618   5.232
  348   2HG1  VAL  42          2HG1      VAL  42  -6.869   9.270   4.185
  349   3HG1  VAL  42          1HG1      VAL  42  -7.306   8.323   5.607
  350   1HG2  VAL  42          3HG2      VAL  42  -7.888   5.911   2.876
  351   2HG2  VAL  42          2HG2      VAL  42  -8.633   6.749   4.237
  352   3HG2  VAL  42          1HG2      VAL  42  -8.246   7.634   2.760
  353    H    GLY  43           H        GLY  43  -6.481   6.894   0.522
  354   1HA   GLY  43           HA3      GLY  43  -7.239   9.697   0.114
  355   2HA   GLY  43           HA2      GLY  43  -7.815   8.326  -0.821
  356    H    LYS  44           H        LYS  44  -4.427   8.808  -0.088
  357    HA   LYS  44           HA       LYS  44  -3.694  10.249  -2.375
  358   1HB   LYS  44           HB2      LYS  44  -2.110   8.323  -0.670
  359   2HB   LYS  44           HB3      LYS  44  -1.410   9.347  -1.911
  360   1HG   LYS  44           HG2      LYS  44  -2.216  11.331  -0.691
  361   2HG   LYS  44           HG3      LYS  44  -2.829  10.268   0.578
  362   1HD   LYS  44           HD2      LYS  44  -0.582   9.463   1.024
  363   2HD   LYS  44           HD3      LYS  44   0.054  10.450  -0.293
  364   1HE   LYS  44           HE2      LYS  44   0.441  11.504   1.876
  365   2HE   LYS  44           HE3      LYS  44  -0.634  12.474   0.870
  366   1HZ   LYS  44           HZ2      LYS  44  -2.519  11.571   2.098
  367   2HZ   LYS  44           HZ1      LYS  44  -1.474  10.670   3.075
  368   3HZ   LYS  44           HZ3      LYS  44  -1.440  12.361   3.133
  369    H    ASP  45           H        ASP  45  -2.145   9.304  -4.054
  370    HA   ASP  45           HA       ASP  45  -3.511   7.062  -5.323
  371   1HB   ASP  45           HB2      ASP  45  -3.085   9.123  -6.627
  372   2HB   ASP  45           HB3      ASP  45  -1.355   8.884  -6.413
  373    H    VAL  46           H        VAL  46  -0.136   8.061  -4.832
  374    HA   VAL  46           HA       VAL  46   0.801   5.344  -5.194
  375    HB   VAL  46           HB       VAL  46   2.409   7.747  -4.337
  376   1HG1  VAL  46          2HG1      VAL  46   3.468   5.572  -3.999
  377   2HG1  VAL  46          1HG1      VAL  46   3.210   5.180  -5.699
  378   3HG1  VAL  46          3HG1      VAL  46   4.288   6.503  -5.253
  379   1HG2  VAL  46          1HG2      VAL  46   1.191   8.201  -6.420
  380   2HG2  VAL  46          3HG2      VAL  46   2.936   8.113  -6.662
  381   3HG2  VAL  46          2HG2      VAL  46   1.910   6.758  -7.134
  382    H    LEU  47           H        LEU  47   0.187   7.586  -2.639
  383    HA   LEU  47           HA       LEU  47  -0.030   7.314  -0.402
  384   1HB   LEU  47           HB2      LEU  47   0.921   4.487  -0.628
  385   2HB   LEU  47           HB3      LEU  47  -0.108   5.202   0.591
  386    HG   LEU  47           HG       LEU  47  -0.952   4.835  -2.279
  387   1HD1  LEU  47          3HD1      LEU  47  -1.131   3.007   0.068
  388   2HD1  LEU  47          2HD1      LEU  47  -2.433   3.026  -1.125
  389   3HD1  LEU  47          1HD1      LEU  47  -0.783   2.644  -1.622
  390   1HD2  LEU  47          3HD2      LEU  47  -2.489   5.505   0.220
  391   2HD2  LEU  47          2HD2      LEU  47  -2.171   6.575  -1.145
  392   3HD2  LEU  47          1HD2      LEU  47  -3.207   5.163  -1.353
  393    H    SER  48           H        SER  48   2.820   5.624  -1.718
  394    HA   SER  48           HA       SER  48   4.537   6.017   0.434
  395   1HB   SER  48           HB2      SER  48   6.314   5.554  -1.119
  396   2HB   SER  48           HB3      SER  48   4.941   4.546  -1.553
  397    HG   SER  48           HG       SER  48   6.054   5.717  -3.309
  398    H    ASP  49           H        ASP  49   6.765   7.349  -0.324
  399    HA   ASP  49           HA       ASP  49   6.105  10.010  -1.231
  400   1HB   ASP  49           HB2      ASP  49   6.785   9.452   1.646
  401   2HB   ASP  49           HB3      ASP  49   7.120  11.016   0.907
  402    H    GLU  50           H        GLU  50   8.692   9.399   1.031
  403    HA   GLU  50           HA       GLU  50  10.616   9.357  -1.189
  404   1HB   GLU  50           HB2      GLU  50  12.045  10.891   0.031
  405   2HB   GLU  50           HB3      GLU  50  10.454  11.606  -0.202
  406   1HG   GLU  50           HG2      GLU  50   9.849  11.032   2.084
  407   2HG   GLU  50           HG3      GLU  50  11.439  10.308   2.325
  408    H    ILE  51           H        ILE  51   9.861   8.467   2.121
  409    HA   ILE  51           HA       ILE  51  12.287   7.218   2.773
  410    HB   ILE  51           HB       ILE  51   9.531   6.558   3.791
  411   1HG1  ILE  51          2HG1      ILE  51  10.115   8.949   3.983
  412   2HG1  ILE  51          3HG1      ILE  51  10.009   8.164   5.545
  413   1HG2  ILE  51          2HG2      ILE  51  12.261   6.054   4.972
  414   2HG2  ILE  51          1HG2      ILE  51  10.726   5.765   5.790
  415   3HG2  ILE  51          3HG2      ILE  51  11.146   4.837   4.351
  416   1HD1  ILE  51          1HD1      ILE  51  12.436   8.025   5.660
  417   2HD1  ILE  51          3HD1      ILE  51  12.547   8.810   4.085
  418   3HD1  ILE  51          2HD1      ILE  51  11.886   9.689   5.462
  419    H    LEU  52           H        LEU  52   9.198   5.614   1.970
  420    HA   LEU  52           HA       LEU  52  10.760   3.443   0.728
  421   1HB   LEU  52           HB2      LEU  52   8.152   3.206   2.235
  422   2HB   LEU  52           HB3      LEU  52   8.974   1.892   1.420
  423    HG   LEU  52           HG       LEU  52   9.971   3.396   3.837
  424   1HD1  LEU  52          3HD1      LEU  52   8.151   1.837   4.306
  425   2HD1  LEU  52          2HD1      LEU  52   9.048   0.548   3.503
  426   3HD1  LEU  52          1HD1      LEU  52   9.677   1.269   4.984
  427   1HD2  LEU  52          2HD2      LEU  52  11.236   1.150   2.278
  428   2HD2  LEU  52          1HD2      LEU  52  11.847   2.797   2.442
  429   3HD2  LEU  52          3HD2      LEU  52  11.792   1.733   3.847
  430    H    GLU  53           H        GLU  53  10.362   3.178  -1.375
  431    HA   GLU  53           HA       GLU  53   8.293   4.591  -2.716
  432   1HB   GLU  53           HB2      GLU  53  10.573   2.929  -3.441
  433   2HB   GLU  53           HB3      GLU  53   9.183   2.633  -4.476
  434   1HG   GLU  53           HG2      GLU  53   9.549   5.440  -4.078
  435   2HG   GLU  53           HG3      GLU  53  11.044   4.701  -4.653
  436    H    VAL  54           H        VAL  54   6.599   3.611  -1.239
  437    HA   VAL  54           HA       VAL  54   5.837   0.895  -1.770
  438    HB   VAL  54           HB       VAL  54   3.783   2.620  -0.589
  439   1HG1  VAL  54          1HG1      VAL  54   5.109   0.017   0.123
  440   2HG1  VAL  54          3HG1      VAL  54   3.862   0.769   1.116
  441   3HG1  VAL  54          2HG1      VAL  54   3.494   0.271  -0.535
  442   1HG2  VAL  54          3HG2      VAL  54   6.486   2.364   0.705
  443   2HG2  VAL  54          2HG2      VAL  54   5.563   3.830   0.377
  444   3HG2  VAL  54          1HG2      VAL  54   5.012   2.703   1.612
  445    H    VAL  55           H        VAL  55   4.427   0.156  -3.194
  446    HA   VAL  55           HA       VAL  55   2.737   2.073  -4.631
  447    HB   VAL  55           HB       VAL  55   4.210  -0.203  -5.944
  448   1HG1  VAL  55          3HG1      VAL  55   2.019   0.394  -6.918
  449   2HG1  VAL  55          2HG1      VAL  55   2.596   2.044  -7.142
  450   3HG1  VAL  55          1HG1      VAL  55   3.362   0.716  -8.015
  451   1HG2  VAL  55          3HG2      VAL  55   5.769   1.565  -5.284
  452   2HG2  VAL  55          2HG2      VAL  55   5.570   1.524  -7.037
  453   3HG2  VAL  55          1HG2      VAL  55   4.755   2.765  -6.085
  454    H    CYS  56           H        CYS  56   1.058   1.391  -3.331
  455    HA   CYS  56           HA       CYS  56   0.207  -1.397  -3.562
  456   1HB   CYS  56           HB2      CYS  56   0.196  -0.704  -1.302
  457   2HB   CYS  56           HB3      CYS  56  -0.601   0.817  -1.687
  458    HG   CYS  56           HG       CYS  56  -2.922  -0.818  -2.624
  459    H    LYS  57           H        LYS  57  -1.042  -1.823  -5.201
  460    HA   LYS  57           HA       LYS  57  -2.795   0.255  -6.270
  461   1HB   LYS  57           HB2      LYS  57  -2.349  -2.475  -7.440
  462   2HB   LYS  57           HB3      LYS  57  -2.939  -1.033  -8.249
  463   1HG   LYS  57           HG2      LYS  57  -0.745   0.010  -8.007
  464   2HG   LYS  57           HG3      LYS  57  -0.147  -1.439  -7.196
  465   1HD   LYS  57           HD2      LYS  57  -0.614  -2.753  -9.215
  466   2HD   LYS  57           HD3      LYS  57  -1.188  -1.293 -10.025
  467   1HE   LYS  57           HE2      LYS  57   1.106  -1.809 -10.670
  468   2HE   LYS  57           HE3      LYS  57   1.022  -0.285  -9.786
  469   1HZ   LYS  57           HZ2      LYS  57   1.754  -1.442  -7.794
  470   2HZ   LYS  57           HZ1      LYS  57   1.840  -2.902  -8.645
  471   3HZ   LYS  57           HZ3      LYS  57   2.880  -1.628  -9.042
  472    H    TYR  58           H        TYR  58  -4.732   0.358  -5.458
  473    HA   TYR  58           HA       TYR  58  -6.010  -1.906  -4.206
  474   1HB   TYR  58           HB2      TYR  58  -6.175   0.464  -3.340
  475   2HB   TYR  58           HB3      TYR  58  -7.161   0.844  -4.747
  476    HD1  TYR  58           HD1      TYR  58  -8.725  -1.844  -4.717
  477    HD2  TYR  58           HD2      TYR  58  -7.788   1.018  -1.693
  478    HE1  TYR  58           HE1      TYR  58 -10.740  -2.515  -3.501
  479    HE2  TYR  58           HE2      TYR  58  -9.828   0.369  -0.470
  480    HH   TYR  58           HH       TYR  58 -11.612  -2.425  -1.194
  481    H    THR  59           H        THR  59  -6.834  -3.412  -5.504
  482    HA   THR  59           HA       THR  59  -8.372  -2.541  -7.865
  483    HB   THR  59           HB       THR  59  -6.906  -5.167  -7.552
  484    HG1  THR  59           HG1      THR  59  -5.613  -4.042  -9.327
  485   1HG2  THR  59          1HG2      THR  59  -8.225  -3.871  -9.943
  486   2HG2  THR  59          3HG2      THR  59  -7.320  -5.384  -9.967
  487   3HG2  THR  59          2HG2      THR  59  -8.827  -5.272  -9.057
  488    HA   PRO  60           HA       PRO  60 -11.628  -4.836  -5.789
  489   1HB   PRO  60           HB2      PRO  60 -13.424  -3.882  -7.817
  490   2HB   PRO  60           HB3      PRO  60 -13.260  -3.295  -6.166
  491   1HG   PRO  60           HG2      PRO  60 -12.628  -1.820  -8.372
  492   2HG   PRO  60           HG3      PRO  60 -11.838  -1.605  -6.798
  493   1HD   PRO  60           HD2      PRO  60 -10.910  -3.197  -9.168
  494   2HD   PRO  60           HD3      PRO  60 -10.012  -2.029  -8.180
  495    H    THR  61           H        THR  61 -13.857  -5.632  -7.505
  496    HA   THR  61           HA       THR  61 -12.544  -7.755  -9.080
  497    HB   THR  61           HB       THR  61 -15.280  -8.078  -7.896
  498    HG1  THR  61           HG1      THR  61 -13.672  -9.412  -6.371
  499   1HG2  THR  61          1HG2      THR  61 -13.135 -10.039  -8.709
  500   2HG2  THR  61          3HG2      THR  61 -14.719 -10.461  -8.055
  501   3HG2  THR  61          2HG2      THR  61 -14.596  -9.659  -9.622
  502    HA   PRO  62           HA       PRO  62 -14.552  -6.078 -12.665
  503   1HB   PRO  62           HB2      PRO  62 -14.661  -8.472 -14.063
  504   2HB   PRO  62           HB3      PRO  62 -13.269  -7.386 -14.024
  505   1HG   PRO  62           HG2      PRO  62 -13.796  -9.850 -12.405
  506   2HG   PRO  62           HG3      PRO  62 -12.286  -9.313 -13.167
  507   1HD   PRO  62           HD2      PRO  62 -12.691  -9.006 -10.548
  508   2HD   PRO  62           HD3      PRO  62 -11.875  -7.742 -11.495
  509    H    SER  63           H        SER  63 -16.543  -6.329 -13.874
  510    HA   SER  63           HA       SER  63 -18.482  -8.288 -13.106
  511   1HB   SER  63           HB2      SER  63 -18.584  -6.746 -11.157
  512   2HB   SER  63           HB3      SER  63 -18.998  -5.429 -12.257
  513    HG   SER  63           HG       SER  63 -20.849  -6.687 -12.867
  514    H    SER  64           H        SER  64 -20.531  -8.016 -14.256
  515    HA   SER  64           HA       SER  64 -20.426  -6.131 -16.496
  516   1HB   SER  64           HB2      SER  64 -21.064  -7.916 -18.082
  517   2HB   SER  64           HB3      SER  64 -19.486  -8.218 -17.354
  518    HG   SER  64           HG       SER  64 -21.173  -9.377 -15.764
  519    H    THR  65           H        THR  65 -22.126  -7.331 -13.960
  520    HA   THR  65           HA       THR  65 -24.566  -6.142 -14.856
  521    HB   THR  65           HB       THR  65 -24.606  -9.112 -14.321
  522    HG1  THR  65           HG1      THR  65 -25.512  -8.989 -16.569
  523   1HG2  THR  65          3HG2      THR  65 -26.854  -7.202 -14.974
  524   2HG2  THR  65          2HG2      THR  65 -27.000  -8.955 -14.841
  525   3HG2  THR  65          1HG2      THR  65 -26.584  -7.995 -13.422
  526    HA   PRO  66           HA       PRO  66 -25.009  -7.547 -10.252
  527   1HB   PRO  66           HB2      PRO  66 -22.394  -8.663  -9.536
  528   2HB   PRO  66           HB3      PRO  66 -24.003  -9.354  -9.312
  529   1HG   PRO  66           HG2      PRO  66 -22.262 -10.358 -11.104
  530   2HG   PRO  66           HG3      PRO  66 -24.012 -10.347 -11.396
  531   1HD   PRO  66           HD2      PRO  66 -21.910  -8.469 -12.429
  532   2HD   PRO  66           HD3      PRO  66 -23.263  -9.220 -13.300
  533    H    MET  67           H        MET  67 -24.424  -6.426  -8.325
  534    HA   MET  67           HA       MET  67 -22.052  -4.735  -8.396
  535   1HB   MET  67           HB2      MET  67 -24.860  -3.621  -8.211
  536   2HB   MET  67           HB3      MET  67 -23.398  -2.700  -7.890
  537   1HG   MET  67           HG2      MET  67 -22.670  -3.039 -10.192
  538   2HG   MET  67           HG3      MET  67 -24.130  -3.972 -10.517
  539   1HE   MET  67           HE1      MET  67 -23.207  -1.482 -12.279
  540   2HE   MET  67           HE3      MET  67 -24.673  -2.408 -12.602
  541   3HE   MET  67           HE2      MET  67 -24.745  -0.649 -12.506
  542    H    VAL  68           H        VAL  68 -23.503  -6.951  -6.835
  543    HA   VAL  68           HA       VAL  68 -23.457  -5.664  -4.193
  544    HB   VAL  68           HB       VAL  68 -25.581  -6.808  -4.993
  545   1HG1  VAL  68          3HG1      VAL  68 -24.530  -8.752  -6.029
  546   2HG1  VAL  68          2HG1      VAL  68 -23.968  -9.295  -4.448
  547   3HG1  VAL  68          1HG1      VAL  68 -25.695  -9.231  -4.795
  548   1HG2  VAL  68          1HG2      VAL  68 -25.200  -6.248  -2.654
  549   2HG2  VAL  68          3HG2      VAL  68 -26.054  -7.784  -2.796
  550   3HG2  VAL  68          2HG2      VAL  68 -24.332  -7.765  -2.419
  551    H    GLY  69           H        GLY  69 -21.185  -6.690  -5.806
  552   1HA   GLY  69           HA3      GLY  69 -20.201  -9.127  -4.888
  553   2HA   GLY  69           HA2      GLY  69 -19.730  -7.914  -3.708
  554    H    VAL  70           H        VAL  70 -18.207  -6.355  -4.254
  555    HA   VAL  70           HA       VAL  70 -16.576  -7.051  -6.576
  556    HB   VAL  70           HB       VAL  70 -17.880  -5.226  -7.407
  557   1HG1  VAL  70          2HG1      VAL  70 -18.658  -4.337  -5.266
  558   2HG1  VAL  70          1HG1      VAL  70 -17.056  -3.664  -4.964
  559   3HG1  VAL  70          3HG1      VAL  70 -18.026  -3.062  -6.308
  560   1HG2  VAL  70          3HG2      VAL  70 -15.431  -5.243  -7.887
  561   2HG2  VAL  70          2HG2      VAL  70 -16.185  -3.655  -8.010
  562   3HG2  VAL  70          1HG2      VAL  70 -15.223  -4.067  -6.591
  563    H    GLY  71           H        GLY  71 -15.251  -8.018  -4.932
  564   1HA   GLY  71           HA3      GLY  71 -14.081  -7.516  -2.751
  565   2HA   GLY  71           HA2      GLY  71 -13.597  -6.019  -3.527
  566    H    GLY  72           H        GLY  72 -11.715  -5.982  -4.564
  567   1HA   GLY  72           HA3      GLY  72 -10.036  -6.825  -5.983
  568   2HA   GLY  72           HA2      GLY  72 -10.624  -8.450  -5.684
  569    H    ILE  73           H        ILE  73  -8.082  -6.492  -5.175
  570    HA   ILE  73           HA       ILE  73  -7.517  -7.343  -2.466
  571    HB   ILE  73           HB       ILE  73  -5.381  -8.341  -3.002
  572   1HG1  ILE  73          2HG1      ILE  73  -6.001  -8.644  -5.877
  573   2HG1  ILE  73          3HG1      ILE  73  -5.412  -7.071  -5.342
  574   1HG2  ILE  73          1HG2      ILE  73  -7.370  -9.757  -2.776
  575   2HG2  ILE  73          3HG2      ILE  73  -7.559  -9.721  -4.531
  576   3HG2  ILE  73          2HG2      ILE  73  -6.126 -10.459  -3.810
  577   1HD1  ILE  73          1HD1      ILE  73  -3.469  -8.181  -4.318
  578   2HD1  ILE  73          3HD1      ILE  73  -4.044  -9.722  -4.959
  579   3HD1  ILE  73          2HD1      ILE  73  -3.563  -8.431  -6.065
  580    H    TYR  74           H        TYR  74  -4.798  -6.828  -2.435
  581    HA   TYR  74           HA       TYR  74  -4.490  -4.083  -3.395
  582   1HB   TYR  74           HB2      TYR  74  -3.839  -4.783  -0.537
  583   2HB   TYR  74           HB3      TYR  74  -4.041  -3.187  -1.260
  584    HD1  TYR  74           HD1      TYR  74  -6.246  -2.259  -1.622
  585    HD2  TYR  74           HD2      TYR  74  -5.787  -6.130   0.070
  586    HE1  TYR  74           HE1      TYR  74  -8.607  -2.258  -0.966
  587    HE2  TYR  74           HE2      TYR  74  -8.151  -6.130   0.729
  588    HH   TYR  74           HH       TYR  74  -9.936  -4.504   1.189
  589    H    VAL  75           H        VAL  75  -2.770  -4.415  -4.699
  590    HA   VAL  75           HA       VAL  75  -0.607  -6.166  -3.885
  591    HB   VAL  75           HB       VAL  75  -0.893  -4.483  -6.380
  592   1HG1  VAL  75          3HG1      VAL  75   1.061  -6.682  -5.706
  593   2HG1  VAL  75          2HG1      VAL  75   0.899  -5.902  -7.279
  594   3HG1  VAL  75          1HG1      VAL  75   1.438  -4.969  -5.884
  595   1HG2  VAL  75          3HG2      VAL  75  -1.402  -7.419  -5.920
  596   2HG2  VAL  75          2HG2      VAL  75  -2.620  -6.184  -6.241
  597   3HG2  VAL  75          1HG2      VAL  75  -1.442  -6.606  -7.484
  598    H    VAL  76           H        VAL  76   0.413  -5.169  -2.179
  599    HA   VAL  76           HA       VAL  76   1.304  -2.413  -2.422
  600    HB   VAL  76           HB       VAL  76   1.872  -4.353  -0.182
  601   1HG1  VAL  76          3HG1      VAL  76   1.907  -1.339  -0.305
  602   2HG1  VAL  76          2HG1      VAL  76   2.172  -2.308   1.144
  603   3HG1  VAL  76          1HG1      VAL  76   3.313  -2.399  -0.198
  604   1HG2  VAL  76          1HG2      VAL  76  -0.576  -4.049  -0.678
  605   2HG2  VAL  76          3HG2      VAL  76  -0.068  -3.580   0.944
  606   3HG2  VAL  76          2HG2      VAL  76  -0.367  -2.344  -0.278
  607    H    LEU  77           H        LEU  77   3.225  -1.833  -3.196
  608    HA   LEU  77           HA       LEU  77   5.413  -3.804  -3.190
  609   1HB   LEU  77           HB2      LEU  77   4.755  -1.669  -5.212
  610   2HB   LEU  77           HB3      LEU  77   6.267  -2.554  -5.200
  611    HG   LEU  77           HG       LEU  77   3.505  -3.722  -5.603
  612   1HD1  LEU  77          3HD1      LEU  77   4.316  -2.468  -7.529
  613   2HD1  LEU  77          2HD1      LEU  77   5.820  -3.389  -7.508
  614   3HD1  LEU  77          1HD1      LEU  77   4.294  -4.199  -7.866
  615   1HD2  LEU  77          1HD2      LEU  77   5.269  -5.128  -4.365
  616   2HD2  LEU  77          3HD2      LEU  77   4.453  -5.841  -5.759
  617   3HD2  LEU  77          2HD2      LEU  77   6.088  -5.203  -5.926
  618    H    VAL  78           H        VAL  78   6.403  -3.146  -1.316
  619    HA   VAL  78           HA       VAL  78   7.039  -0.307  -1.004
  620    HB   VAL  78           HB       VAL  78   8.116  -2.182   0.995
  621   1HG1  VAL  78          1HG1      VAL  78   8.150   0.303   1.191
  622   2HG1  VAL  78          3HG1      VAL  78   6.386   0.287   1.281
  623   3HG1  VAL  78          2HG1      VAL  78   7.343  -0.496   2.539
  624   1HG2  VAL  78          3HG2      VAL  78   5.141  -1.840   0.642
  625   2HG2  VAL  78          2HG2      VAL  78   6.053  -3.345   0.516
  626   3HG2  VAL  78          1HG2      VAL  78   5.919  -2.522   2.070
  627    H    LYS  79           H        LYS  79   8.684   0.310  -2.231
  628    HA   LYS  79           HA       LYS  79  11.073  -1.383  -2.412
  629   1HB   LYS  79           HB2      LYS  79   9.892   0.759  -4.120
  630   2HB   LYS  79           HB3      LYS  79  11.634   0.528  -4.162
  631   1HG   LYS  79           HG2      LYS  79  11.294  -1.825  -4.767
  632   2HG   LYS  79           HG3      LYS  79   9.539  -1.559  -4.774
  633   1HD   LYS  79           HD2      LYS  79  11.525  -0.094  -6.520
  634   2HD   LYS  79           HD3      LYS  79  10.559  -1.478  -7.035
  635   1HE   LYS  79           HE2      LYS  79   8.511  -0.216  -6.582
  636   2HE   LYS  79           HE3      LYS  79   9.477   1.169  -6.074
  637   1HZ   LYS  79           HZ1      LYS  79   9.484  -0.035  -8.790
  638   2HZ   LYS  79           HZ3      LYS  79   8.716   1.408  -8.352
  639   3HZ   LYS  79           HZ2      LYS  79  10.402   1.298  -8.300
  640    HA   PRO  80           HA       PRO  80  12.535   1.362   0.939
  641   1HB   PRO  80           HB2      PRO  80  15.077   0.130   0.726
  642   2HB   PRO  80           HB3      PRO  80  13.832  -0.184   1.936
  643   1HG   PRO  80           HG2      PRO  80  14.487  -1.679  -0.534
  644   2HG   PRO  80           HG3      PRO  80  13.792  -2.263   0.987
  645   1HD   PRO  80           HD2      PRO  80  12.308  -1.997  -1.236
  646   2HD   PRO  80           HD3      PRO  80  11.639  -1.672   0.378
  647    H    ARG  81           H        ARG  81  12.756   3.344   0.104
  648    HA   ARG  81           HA       ARG  81  14.489   3.911  -2.117
  649   1HB   ARG  81           HB2      ARG  81  12.409   5.264  -0.631
  650   2HB   ARG  81           HB3      ARG  81  13.784   6.327  -0.894
  651   1HG   ARG  81           HG2      ARG  81  13.651   5.954  -3.281
  652   2HG   ARG  81           HG3      ARG  81  12.339   4.796  -3.047
  653   1HD   ARG  81           HD2      ARG  81  10.897   6.518  -2.197
  654   2HD   ARG  81           HD3      ARG  81  12.212   7.692  -2.228
  655    HE   ARG  81           HE       ARG  81  11.492   6.486  -4.771
  656   1HH1  ARG  81          1HH1      ARG  81  11.216   9.202  -2.609
  657   2HH1  ARG  81          2HH1      ARG  81  10.689  10.297  -3.843
  658   1HH2  ARG  81          1HH2      ARG  81  10.801   7.919  -6.404
  659   2HH2  ARG  81          2HH2      ARG  81  10.454   9.568  -6.000
  660    H    LYS  82           H        LYS  82  14.481   4.707   1.349
  661    HA   LYS  82           HA       LYS  82  17.260   5.618   1.103
  662   1HB   LYS  82           HB2      LYS  82  15.366   5.966   3.431
  663   2HB   LYS  82           HB3      LYS  82  16.940   6.722   3.238
  664   1HG   LYS  82           HG2      LYS  82  16.117   7.977   1.320
  665   2HG   LYS  82           HG3      LYS  82  14.539   7.204   1.486
  666   1HD   LYS  82           HD2      LYS  82  14.374   8.164   3.774
  667   2HD   LYS  82           HD3      LYS  82  15.878   9.036   3.472
  668   1HE   LYS  82           HE2      LYS  82  13.314   9.316   1.910
  669   2HE   LYS  82           HE3      LYS  82  13.945  10.468   3.086
  670   1HZ   LYS  82           HZ1      LYS  82  15.271   9.702   0.540
  671   2HZ   LYS  82           HZ3      LYS  82  14.438  11.149   0.821
  672   3HZ   LYS  82           HZ2      LYS  82  15.865  10.817   1.666
  673    H    ARG  83           H        ARG  83  18.813   4.957   2.712
  674    HA   ARG  83           HA       ARG  83  18.416   2.171   3.502
  675   1HB   ARG  83           HB2      ARG  83  20.923   3.863   3.482
  676   2HB   ARG  83           HB3      ARG  83  20.852   2.144   3.843
  677   1HG   ARG  83           HG2      ARG  83  20.144   1.650   1.597
  678   2HG   ARG  83           HG3      ARG  83  20.043   3.371   1.217
  679   1HD   ARG  83           HD2      ARG  83  22.447   3.596   1.588
  680   2HD   ARG  83           HD3      ARG  83  22.551   1.880   1.977
  681    HE   ARG  83           HE       ARG  83  21.397   2.158  -0.561
  682   1HH1  ARG  83          1HH1      ARG  83  24.450   2.641   1.048
  683   2HH1  ARG  83          2HH1      ARG  83  25.393   2.359  -0.377
  684   1HH2  ARG  83          1HH2      ARG  83  22.630   1.786  -2.442
  685   2HH2  ARG  83          2HH2      ARG  83  24.358   1.873  -2.361
  686    H    GLY  84           H        GLY  84  17.954   1.630   5.534
  687   1HA   GLY  84           HA3      GLY  84  18.094   3.674   7.608
  688   2HA   GLY  84           HA2      GLY  84  19.080   2.242   7.863
  689    H    HIS  85           H        HIS  85  16.895   3.192   9.491
  690    HA   HIS  85           HA       HIS  85  15.331   0.738   9.520
  691   1HB   HIS  85           HB2      HIS  85  15.474   3.022  11.499
  692   2HB   HIS  85           HB3      HIS  85  14.550   1.541  11.730
  693    HD1  HIS  85           HD1      HIS  85  17.889   2.976  12.164
  694    HD2  HIS  85           HD2      HIS  85  16.209  -0.821  11.998
  695    HE1  HIS  85           HE1      HIS  85  19.626   1.430  13.122
  696    HE2  HIS  85           HE2      HIS  85  18.620  -0.873  12.931
  697    H    HIS  86           H        HIS  86  13.663   0.778   8.137
  698    HA   HIS  86           HA       HIS  86  11.834   3.084   8.277
  699   1HB   HIS  86           HB2      HIS  86  12.414   1.346   5.868
  700   2HB   HIS  86           HB3      HIS  86  11.249   2.667   5.925
  701    HD1  HIS  86           HD1      HIS  86  13.193   4.622   7.533
  702    HD2  HIS  86           HD2      HIS  86  14.080   2.582   4.025
  703    HE1  HIS  86           HE1      HIS  86  15.055   5.920   6.455
  704    HE2  HIS  86           HE2      HIS  86  15.656   4.598   4.396
  705    H    THR  87           H        THR  87   9.603   2.304   7.200
  706    HA   THR  87           HA       THR  87   8.888  -0.403   7.865
  707    HB   THR  87           HB       THR  87   7.812   1.860   9.554
  708    HG1  THR  87           HG1      THR  87   9.077   1.070  11.082
  709   1HG2  THR  87          1HG2      THR  87   7.020  -1.054   9.471
  710   2HG2  THR  87          3HG2      THR  87   6.480   0.114  10.678
  711   3HG2  THR  87          2HG2      THR  87   6.020   0.317   8.986
  712    H    LEU  88           H        LEU  88   6.741  -0.958   7.293
  713    HA   LEU  88           HA       LEU  88   5.280   1.037   5.716
  714   1HB   LEU  88           HB2      LEU  88   6.532  -0.398   4.178
  715   2HB   LEU  88           HB3      LEU  88   5.824  -1.822   4.904
  716    HG   LEU  88           HG       LEU  88   4.901  -0.818   2.634
  717   1HD1  LEU  88          3HD1      LEU  88   4.098  -2.823   3.895
  718   2HD1  LEU  88          2HD1      LEU  88   2.980  -1.755   4.746
  719   3HD1  LEU  88          1HD1      LEU  88   2.852  -1.954   3.000
  720   1HD2  LEU  88          1HD2      LEU  88   4.449   1.401   3.608
  721   2HD2  LEU  88          3HD2      LEU  88   3.016   0.634   2.920
  722   3HD2  LEU  88          2HD2      LEU  88   3.249   0.658   4.667
  723    H    GLU  89           H        GLU  89   3.747   1.320   7.283
  724    HA   GLU  89           HA       GLU  89   2.272  -1.059   8.152
  725   1HB   GLU  89           HB2      GLU  89   1.248   0.839   9.725
  726   2HB   GLU  89           HB3      GLU  89   2.729  -0.022  10.126
  727   1HG   GLU  89           HG2      GLU  89   4.082   1.766   9.488
  728   2HG   GLU  89           HG3      GLU  89   2.780   2.537   8.585
  729    H    LEU  90           H        LEU  90   0.425  -1.484   7.244
  730    HA   LEU  90           HA       LEU  90  -0.978   0.606   5.752
  731   1HB   LEU  90           HB2      LEU  90  -1.539  -2.357   5.743
  732   2HB   LEU  90           HB3      LEU  90  -2.117  -1.162   4.599
  733    HG   LEU  90           HG       LEU  90   0.760  -2.033   4.921
  734   1HD1  LEU  90          1HD1      LEU  90  -0.635  -3.772   3.943
  735   2HD1  LEU  90          3HD1      LEU  90  -1.247  -2.626   2.752
  736   3HD1  LEU  90          2HD1      LEU  90   0.455  -3.085   2.739
  737   1HD2  LEU  90          3HD2      LEU  90   0.415   0.342   4.201
  738   2HD2  LEU  90          2HD2      LEU  90   1.265  -0.669   3.031
  739   3HD2  LEU  90          1HD2      LEU  90  -0.440  -0.274   2.788
  740    H    VAL  91           H        VAL  91  -3.490   0.276   5.822
  741    HA   VAL  91           HA       VAL  91  -4.501  -0.653   8.354
  742    HB   VAL  91           HB       VAL  91  -3.565   1.480   9.049
  743   1HG1  VAL  91          3HG1      VAL  91  -5.275   2.649   6.860
  744   2HG1  VAL  91          2HG1      VAL  91  -4.472   3.595   8.112
  745   3HG1  VAL  91          1HG1      VAL  91  -3.513   2.662   6.963
  746   1HG2  VAL  91          3HG2      VAL  91  -6.574   1.476   8.895
  747   2HG2  VAL  91          2HG2      VAL  91  -5.567   0.822  10.186
  748   3HG2  VAL  91          1HG2      VAL  91  -5.630   2.562   9.914
  749    H    TYR  92           H        TYR  92  -6.750  -0.711   8.479
  750    HA   TYR  92           HA       TYR  92  -8.137  -0.456   5.921
  751   1HB   TYR  92           HB2      TYR  92  -8.189  -2.470   7.679
  752   2HB   TYR  92           HB3      TYR  92  -9.482  -1.502   8.373
  753    HD1  TYR  92           HD1      TYR  92 -11.381  -2.788   7.940
  754    HD2  TYR  92           HD2      TYR  92  -8.665  -1.967   4.767
  755    HE1  TYR  92           HE1      TYR  92 -12.969  -3.762   6.336
  756    HE2  TYR  92           HE2      TYR  92 -10.249  -2.935   3.155
  757    HH   TYR  92           HH       TYR  92 -13.476  -3.628   3.935
  758    H    THR  93           H        THR  93  -8.279   1.829   5.871
  759    HA   THR  93           HA       THR  93  -9.894   3.094   7.986
  760    HB   THR  93           HB       THR  93  -7.775   4.173   7.736
  761    HG1  THR  93           HG1      THR  93  -8.875   6.163   6.400
  762   1HG2  THR  93          1HG2      THR  93  -7.226   3.341   5.495
  763   2HG2  THR  93          3HG2      THR  93  -8.428   4.428   4.796
  764   3HG2  THR  93          2HG2      THR  93  -7.004   5.088   5.603
  765    H    ARG  94           H        ARG  94 -11.184   5.045   7.161
  766    HA   ARG  94           HA       ARG  94 -12.731   4.188   4.814
  767   1HB   ARG  94           HB2      ARG  94 -13.492   6.061   7.061
  768   2HB   ARG  94           HB3      ARG  94 -14.529   5.622   5.712
  769   1HG   ARG  94           HG2      ARG  94 -14.426   3.266   6.447
  770   2HG   ARG  94           HG3      ARG  94 -13.489   3.783   7.851
  771   1HD   ARG  94           HD2      ARG  94 -15.849   3.515   8.413
  772   2HD   ARG  94           HD3      ARG  94 -15.334   5.192   8.583
  773    HE   ARG  94           HE       ARG  94 -16.367   4.923   6.024
  774   1HH1  ARG  94          1HH1      ARG  94 -17.496   4.640   9.308
  775   2HH1  ARG  94          2HH1      ARG  94 -19.118   5.109   8.927
  776   1HH2  ARG  94          1HH2      ARG  94 -18.501   5.542   5.513
  777   2HH2  ARG  94          2HH2      ARG  94 -19.689   5.621   6.770
  778    HA   PRO  95           HA       PRO  95 -10.331   7.641   2.932
  779   1HB   PRO  95           HB2      PRO  95 -11.997   6.601   0.682
  780   2HB   PRO  95           HB3      PRO  95 -10.293   7.064   0.697
  781   1HG   PRO  95           HG2      PRO  95 -11.003   4.500   0.721
  782   2HG   PRO  95           HG3      PRO  95  -9.630   5.073   1.685
  783   1HD   PRO  95           HD2      PRO  95 -12.366   4.294   2.559
  784   2HD   PRO  95           HD3      PRO  95 -10.817   4.123   3.403
  785    H    PHE  96           H        PHE  96 -13.766   6.893   2.782
  786    HA   PHE  96           HA       PHE  96 -14.574   9.434   1.802
  787   1HB   PHE  96           HB2      PHE  96 -16.091   7.199   3.151
  788   2HB   PHE  96           HB3      PHE  96 -16.834   8.606   2.420
  789    HD1  PHE  96           HD1      PHE  96 -17.183   8.749   0.087
  790    HD2  PHE  96           HD2      PHE  96 -14.851   5.587   1.721
  791    HE1  PHE  96           HE1      PHE  96 -17.217   7.603  -2.090
  792    HE2  PHE  96           HE2      PHE  96 -14.880   4.436  -0.453
  793    HZ   PHE  96           HZ       PHE  96 -16.065   5.445  -2.363
  794    H    GLU  97           H        GLU  97 -14.208   7.987   4.991
  795    HA   GLU  97           HA       GLU  97 -15.136  10.497   6.214
  796   1HB   GLU  97           HB2      GLU  97 -14.783   7.794   7.523
  797   2HB   GLU  97           HB3      GLU  97 -15.483   9.229   8.260
  798   1HG   GLU  97           HG2      GLU  97 -16.621   7.707   5.927
  799   2HG   GLU  97           HG3      GLU  97 -17.196   7.641   7.592
  800    H    GLY  98           H        GLY  98 -12.971   7.973   7.438
  801   1HA   GLY  98           HA3      GLY  98 -11.270   9.796   8.757
  802   2HA   GLY  98           HA2      GLY  98 -10.541   9.345   7.222
  803    H    ILE  99           H        ILE  99  -9.116   8.736   9.320
  804    HA   ILE  99           HA       ILE  99  -9.299   5.824   9.396
  805    HB   ILE  99           HB       ILE  99  -7.007   7.447  10.442
  806   1HG1  ILE  99          2HG1      ILE  99  -7.211   6.468   7.600
  807   2HG1  ILE  99          3HG1      ILE  99  -7.707   8.097   8.055
  808   1HG2  ILE  99          3HG2      ILE  99  -7.448   4.633   9.519
  809   2HG2  ILE  99          2HG2      ILE  99  -5.827   5.334   9.511
  810   3HG2  ILE  99          1HG2      ILE  99  -6.730   5.215  11.023
  811   1HD1  ILE  99          1HD1      ILE  99  -4.957   6.918   8.402
  812   2HD1  ILE  99          3HD1      ILE  99  -5.449   8.072   7.163
  813   3HD1  ILE  99          2HD1      ILE  99  -5.447   8.548   8.862
  814    H    LYS 100           H        LYS 100  -9.163   4.644  11.319
  815    HA   LYS 100           HA       LYS 100  -9.572   6.149  13.809
  816   1HB   LYS 100           HB2      LYS 100 -11.130   3.643  13.398
  817   2HB   LYS 100           HB3      LYS 100 -11.530   5.067  14.347
  818   1HG   LYS 100           HG2      LYS 100 -11.981   6.308  12.287
  819   2HG   LYS 100           HG3      LYS 100 -11.641   4.851  11.350
  820   1HD   LYS 100           HD2      LYS 100 -13.686   4.043  11.719
  821   2HD   LYS 100           HD3      LYS 100 -13.557   4.335  13.455
  822   1HE   LYS 100           HE2      LYS 100 -14.154   6.684  13.093
  823   2HE   LYS 100           HE3      LYS 100 -14.314   6.373  11.363
  824   1HZ   LYS 100           HZ2      LYS 100 -16.093   4.807  11.851
  825   2HZ   LYS 100           HZ1      LYS 100 -15.944   5.118  13.507
  826   3HZ   LYS 100           HZ3      LYS 100 -16.461   6.342  12.458
  827    HA   PRO 101           HA       PRO 101  -6.915   3.085  15.575
  828   1HB   PRO 101           HB2      PRO 101  -7.843   2.726  18.075
  829   2HB   PRO 101           HB3      PRO 101  -7.147   4.257  17.538
  830   1HG   PRO 101           HG2      PRO 101  -9.982   3.527  17.999
  831   2HG   PRO 101           HG3      PRO 101  -9.182   5.096  18.169
  832   1HD   PRO 101           HD2      PRO 101 -10.759   4.228  16.000
  833   2HD   PRO 101           HD3      PRO 101  -9.749   5.682  16.053
  834    H    GLU 102           H        GLU 102 -10.316   2.219  16.080
  835    HA   GLU 102           HA       GLU 102  -9.878  -0.505  16.649
  836   1HB   GLU 102           HB2      GLU 102 -12.286  -0.775  16.077
  837   2HB   GLU 102           HB3      GLU 102 -11.970   0.505  17.242
  838   1HG   GLU 102           HG2      GLU 102 -12.111   2.157  15.466
  839   2HG   GLU 102           HG3      GLU 102 -12.432   0.876  14.301
  840    H    ASN 103           H        ASN 103  -9.451   1.216  13.825
  841    HA   ASN 103           HA       ASN 103 -10.312  -0.605  11.857
  842   1HB   ASN 103           HB2      ASN 103  -8.205   1.556  11.843
  843   2HB   ASN 103           HB3      ASN 103  -8.631   0.630  10.407
  844   1HD2  ASN 103          1HD2      ASN 103 -11.114   1.295  12.693
  845   2HD2  ASN 103          2HD2      ASN 103 -11.917   2.526  11.787
  846    H    GLU 104           H        GLU 104  -8.886  -1.846  10.396
  847    HA   GLU 104           HA       GLU 104  -7.234  -3.620  11.889
  848   1HB   GLU 104           HB2      GLU 104  -8.730  -4.178   9.899
  849   2HB   GLU 104           HB3      GLU 104  -7.465  -3.494   8.891
  850   1HG   GLU 104           HG2      GLU 104  -7.376  -5.951   9.089
  851   2HG   GLU 104           HG3      GLU 104  -5.905  -5.133   9.598
  852    H    ARG 105           H        ARG 105  -5.040  -4.263  11.020
  853    HA   ARG 105           HA       ARG 105  -3.497  -2.010   9.968
  854   1HB   ARG 105           HB2      ARG 105  -3.345  -1.767  12.388
  855   2HB   ARG 105           HB3      ARG 105  -2.879  -3.449  12.557
  856   1HG   ARG 105           HG2      ARG 105  -0.771  -2.724  12.564
  857   2HG   ARG 105           HG3      ARG 105  -0.985  -2.449  10.832
  858   1HD   ARG 105           HD2      ARG 105  -0.129  -0.444  11.847
  859   2HD   ARG 105           HD3      ARG 105  -1.789  -0.172  11.315
  860    HE   ARG 105           HE       ARG 105  -1.873  -0.993  13.973
  861   1HH1  ARG 105          1HH1      ARG 105  -0.706   1.705  12.099
  862   2HH1  ARG 105          2HH1      ARG 105  -0.904   2.849  13.384
  863   1HH2  ARG 105          1HH2      ARG 105  -2.137   0.509  15.670
  864   2HH2  ARG 105          2HH2      ARG 105  -1.717   2.169  15.414
  865    H    TYR 106           H        TYR 106  -1.391  -2.617   9.197
  866    HA   TYR 106           HA       TYR 106  -0.581  -5.364   9.177
  867   1HB   TYR 106           HB2      TYR 106  -2.216  -5.395   7.353
  868   2HB   TYR 106           HB3      TYR 106  -1.344  -4.091   6.544
  869    HD1  TYR 106           HD1      TYR 106  -1.347  -7.646   7.404
  870    HD2  TYR 106           HD2      TYR 106   0.801  -4.536   5.451
  871    HE1  TYR 106           HE1      TYR 106   0.076  -9.325   6.310
  872    HE2  TYR 106           HE2      TYR 106   2.232  -6.205   4.352
  873    HH   TYR 106           HH       TYR 106   1.493  -9.519   4.314
  874    H    THR 107           H        THR 107   1.134  -4.372  10.264
  875    HA   THR 107           HA       THR 107   2.724  -2.358   8.997
  876    HB   THR 107           HB       THR 107   3.669  -4.057  11.284
  877    HG1  THR 107           HG1      THR 107   2.241  -3.152  12.582
  878   1HG2  THR 107          1HG2      THR 107   4.060  -1.156  10.533
  879   2HG2  THR 107          3HG2      THR 107   4.727  -1.936  11.968
  880   3HG2  THR 107          2HG2      THR 107   5.248  -2.449  10.363
  881    H    LEU 108           H        LEU 108   4.958  -2.593   8.448
  882    HA   LEU 108           HA       LEU 108   6.028  -5.221   7.949
  883   1HB   LEU 108           HB2      LEU 108   4.698  -5.082   5.989
  884   2HB   LEU 108           HB3      LEU 108   5.139  -3.412   5.712
  885    HG   LEU 108           HG       LEU 108   7.475  -4.177   5.227
  886   1HD1  LEU 108          3HD1      LEU 108   6.185  -6.891   5.421
  887   2HD1  LEU 108          2HD1      LEU 108   7.748  -6.585   4.664
  888   3HD1  LEU 108          1HD1      LEU 108   7.524  -6.269   6.385
  889   1HD2  LEU 108          3HD2      LEU 108   5.275  -5.318   3.511
  890   2HD2  LEU 108          2HD2      LEU 108   5.924  -3.682   3.429
  891   3HD2  LEU 108          1HD2      LEU 108   6.943  -5.056   2.999
  892    H    HIS 109           H        HIS 109   7.597  -4.359   9.410
  893    HA   HIS 109           HA       HIS 109   9.057  -2.009   8.833
  894   1HB   HIS 109           HB2      HIS 109   9.562  -4.311  10.645
  895   2HB   HIS 109           HB3      HIS 109  10.746  -3.036  10.458
  896    HD1  HIS 109           HD1      HIS 109  10.539  -1.274  12.169
  897    HD2  HIS 109           HD2      HIS 109   6.880  -3.097  11.394
  898    HE1  HIS 109           HE1      HIS 109   8.897  -0.173  13.723
  899    HE2  HIS 109           HE2      HIS 109   6.674  -1.220  13.165
  900    H    LEU 110           H        LEU 110  11.298  -1.879   8.240
  901    HA   LEU 110           HA       LEU 110  12.395  -4.106   6.735
  902   1HB   LEU 110           HB2      LEU 110  11.720  -1.440   5.495
  903   2HB   LEU 110           HB3      LEU 110  12.778  -2.617   4.746
  904    HG   LEU 110           HG       LEU 110   9.864  -3.083   5.411
  905   1HD1  LEU 110          2HD1      LEU 110  10.147  -1.417   3.646
  906   2HD1  LEU 110          1HD1      LEU 110  11.186  -2.531   2.758
  907   3HD1  LEU 110          3HD1      LEU 110   9.486  -2.923   3.011
  908   1HD2  LEU 110          2HD2      LEU 110  11.303  -5.108   5.413
  909   2HD2  LEU 110          1HD2      LEU 110  10.070  -5.113   4.151
  910   3HD2  LEU 110          3HD2      LEU 110  11.746  -4.744   3.745
  911    H    ASN 111           H        ASN 111  14.309  -4.239   7.764
  912    HA   ASN 111           HA       ASN 111  15.739  -1.884   8.612
  913   1HB   ASN 111           HB2      ASN 111  15.773  -4.111   9.833
  914   2HB   ASN 111           HB3      ASN 111  16.782  -4.718   8.525
  915   1HD2  ASN 111          1HD2      ASN 111  18.480  -5.103   9.964
  916   2HD2  ASN 111          2HD2      ASN 111  19.450  -3.817  10.587
  917    H    VAL 112           H        VAL 112  15.498  -1.232   6.231
  918    HA   VAL 112           HA       VAL 112  16.825  -2.259   4.097
  919    HB   VAL 112           HB       VAL 112  16.937   0.695   4.668
  920   1HG1  VAL 112          2HG1      VAL 112  17.959  -0.301   2.594
  921   2HG1  VAL 112          1HG1      VAL 112  16.325  -0.759   2.109
  922   3HG1  VAL 112          3HG1      VAL 112  16.738   0.942   2.318
  923   1HG2  VAL 112          1HG2      VAL 112  14.529  -0.955   3.923
  924   2HG2  VAL 112          3HG2      VAL 112  14.721   0.115   5.314
  925   3HG2  VAL 112          2HG2      VAL 112  14.625   0.789   3.688
  926    H    LYS 113           H        LYS 113  18.864  -2.807   3.717
  927    HA   LYS 113           HA       LYS 113  20.982  -2.166   5.495
  928   1HB   LYS 113           HB2      LYS 113  21.001  -3.424   2.749
  929   2HB   LYS 113           HB3      LYS 113  22.411  -3.311   3.793
  930   1HG   LYS 113           HG2      LYS 113  19.865  -4.746   4.509
  931   2HG   LYS 113           HG3      LYS 113  21.311  -5.518   3.856
  932   1HD   LYS 113           HD2      LYS 113  22.597  -4.758   5.790
  933   2HD   LYS 113           HD3      LYS 113  21.159  -3.967   6.440
  934   1HE   LYS 113           HE2      LYS 113  20.034  -6.131   6.591
  935   2HE   LYS 113           HE3      LYS 113  21.464  -6.925   5.931
  936   1HZ   LYS 113           HZ3      LYS 113  22.720  -6.184   7.857
  937   2HZ   LYS 113           HZ2      LYS 113  21.349  -5.424   8.491
  938   3HZ   LYS 113           HZ1      LYS 113  21.385  -7.108   8.335

  No H/Q in entry =         938
  Start of MODEL   29
    1    H1   GLY  -2           HT2      GLY  -2 -15.815 -18.904  21.493
    2    H2   GLY  -2           HT1      GLY  -2 -15.654 -18.050  22.944
    3    H3   GLY  -2           HT3      GLY  -2 -16.425 -17.332  21.620
    4   1HA   GLY  -2           HA2      GLY  -2 -13.557 -18.086  21.763
    5   2HA   GLY  -2           HA3      GLY  -2 -14.191 -16.452  21.894
    6    H    SER  -1           H        SER  -1 -15.851 -18.495  19.716
    7    HA   SER  -1           HA       SER  -1 -14.252 -17.624  17.429
    8   1HB   SER  -1           HB2      SER  -1 -16.592 -19.541  17.579
    9   2HB   SER  -1           HB3      SER  -1 -15.647 -19.196  16.131
   10    HG   SER  -1           HG       SER  -1 -14.169 -20.514  16.816
   11    H    HIS   0           H        HIS   0 -14.773 -15.845  16.361
   12    HA   HIS   0           HA       HIS   0 -17.308 -14.540  16.806
   13   1HB   HIS   0           HB2      HIS   0 -14.991 -13.768  15.020
   14   2HB   HIS   0           HB3      HIS   0 -16.377 -12.749  15.393
   15    HD1  HIS   0           HD1      HIS   0 -13.080 -13.762  16.654
   16    HD2  HIS   0           HD2      HIS   0 -16.469 -11.867  18.136
   17    HE1  HIS   0           HE1      HIS   0 -12.353 -12.662  18.796
   18    HE2  HIS   0           HE2      HIS   0 -14.397 -11.449  19.628
   19    H    MET   1           H        MET   1 -15.558 -15.368  13.809
   20    HA   MET   1           HA       MET   1 -18.119 -16.191  12.628
   21   1HB   MET   1           HB2      MET   1 -16.045 -14.434  11.305
   22   2HB   MET   1           HB3      MET   1 -17.459 -15.103  10.503
   23   1HG   MET   1           HG2      MET   1 -17.484 -13.171  12.811
   24   2HG   MET   1           HG3      MET   1 -17.798 -12.777  11.122
   25   1HE   MET   1           HE1      MET   1 -19.771 -12.011  13.511
   26   2HE   MET   1           HE3      MET   1 -20.089 -11.616  11.822
   27   3HE   MET   1           HE2      MET   1 -21.329 -12.412  12.790
   28    H    ILE   2           H        ILE   2 -17.158 -16.840  10.099
   29    HA   ILE   2           HA       ILE   2 -15.790 -19.316  10.701
   30    HB   ILE   2           HB       ILE   2 -17.672 -19.339   9.145
   31   1HG1  ILE   2          2HG1      ILE   2 -16.570 -20.559   7.269
   32   2HG1  ILE   2          3HG1      ILE   2 -15.011 -19.995   7.860
   33   1HG2  ILE   2          3HG2      ILE   2 -15.934 -17.605   7.397
   34   2HG2  ILE   2          2HG2      ILE   2 -17.466 -18.333   6.915
   35   3HG2  ILE   2          1HG2      ILE   2 -17.429 -17.122   8.197
   36   1HD1  ILE   2          1HD1      ILE   2 -16.929 -21.757   9.364
   37   2HD1  ILE   2          3HD1      ILE   2 -15.453 -22.279   8.552
   38   3HD1  ILE   2          2HD1      ILE   2 -15.359 -21.202   9.945
   39    H    ALA   3           H        ALA   3 -15.053 -16.249   9.188
   40    HA   ALA   3           HA       ALA   3 -12.673 -17.081   7.884
   41   1HB   ALA   3           HB3      ALA   3 -12.209 -14.719   7.580
   42   2HB   ALA   3           HB2      ALA   3 -13.900 -15.067   7.222
   43   3HB   ALA   3           HB1      ALA   3 -13.462 -14.301   8.748
   44    HA   PRO   4           HA       PRO   4 -10.436 -15.136  11.770
   45   1HB   PRO   4           HB2      PRO   4 -12.488 -15.522  13.861
   46   2HB   PRO   4           HB3      PRO   4 -11.425 -14.142  13.571
   47   1HG   PRO   4           HG2      PRO   4 -14.038 -14.015  13.020
   48   2HG   PRO   4           HG3      PRO   4 -12.837 -13.219  11.986
   49   1HD   PRO   4           HD2      PRO   4 -14.295 -15.801  11.558
   50   2HD   PRO   4           HD3      PRO   4 -13.918 -14.514  10.395
   51    H    LEU   5           H        LEU   5  -9.376 -16.273  13.529
   52    HA   LEU   5           HA       LEU   5 -10.299 -18.931  14.195
   53   1HB   LEU   5           HB2      LEU   5  -8.386 -20.113  13.356
   54   2HB   LEU   5           HB3      LEU   5  -9.144 -19.251  12.034
   55    HG   LEU   5           HG       LEU   5  -6.712 -18.217  13.489
   56   1HD1  LEU   5          2HD1      LEU   5  -6.179 -20.364  12.471
   57   2HD1  LEU   5          1HD1      LEU   5  -6.847 -19.813  10.934
   58   3HD1  LEU   5          3HD1      LEU   5  -5.406 -19.043  11.596
   59   1HD2  LEU   5          1HD2      LEU   5  -7.998 -17.494  10.860
   60   2HD2  LEU   5          3HD2      LEU   5  -7.949 -16.505  12.320
   61   3HD2  LEU   5          2HD2      LEU   5  -6.460 -16.859  11.443
   62    H    SER   6           H        SER   6  -7.788 -16.470  14.404
   63    HA   SER   6           HA       SER   6  -7.606 -16.838  17.253
   64   1HB   SER   6           HB2      SER   6  -5.190 -17.414  15.520
   65   2HB   SER   6           HB3      SER   6  -5.163 -17.251  17.276
   66    HG   SER   6           HG       SER   6  -6.148 -19.144  17.492
   67    H    VAL   7           H        VAL   7  -5.286 -15.578  14.872
   68    HA   VAL   7           HA       VAL   7  -5.958 -12.843  15.678
   69    HB   VAL   7           HB       VAL   7  -3.587 -12.246  15.917
   70   1HG1  VAL   7          3HG1      VAL   7  -4.875 -12.796  17.909
   71   2HG1  VAL   7          2HG1      VAL   7  -4.446 -14.497  17.731
   72   3HG1  VAL   7          1HG1      VAL   7  -3.197 -13.306  18.090
   73   1HG2  VAL   7          2HG2      VAL   7  -3.093 -15.211  15.661
   74   2HG2  VAL   7          1HG2      VAL   7  -2.603 -13.966  14.512
   75   3HG2  VAL   7          3HG2      VAL   7  -1.889 -14.009  16.124
   76    H    LYS   8           H        LYS   8  -4.060 -11.454  14.314
   77    HA   LYS   8           HA       LYS   8  -4.120 -12.430  11.557
   78   1HB   LYS   8           HB2      LYS   8  -4.869  -9.601  12.286
   79   2HB   LYS   8           HB3      LYS   8  -4.936 -10.348  10.701
   80   1HG   LYS   8           HG2      LYS   8  -6.629 -11.229  13.023
   81   2HG   LYS   8           HG3      LYS   8  -7.146 -10.049  11.816
   82   1HD   LYS   8           HD2      LYS   8  -6.872 -11.708  10.054
   83   2HD   LYS   8           HD3      LYS   8  -6.305 -12.889  11.236
   84   1HE   LYS   8           HE2      LYS   8  -9.035 -11.610  11.175
   85   2HE   LYS   8           HE3      LYS   8  -8.652 -13.257  10.673
   86   1HZ   LYS   8           HZ3      LYS   8  -7.962 -13.746  12.937
   87   2HZ   LYS   8           HZ2      LYS   8  -8.334 -12.168  13.419
   88   3HZ   LYS   8           HZ1      LYS   8  -9.566 -13.207  12.904
   89    H    ASP   9           H        ASP   9  -2.077 -12.484  10.953
   90    HA   ASP   9           HA       ASP   9   0.034 -11.218  12.249
   91   1HB   ASP   9           HB2      ASP   9  -0.032 -12.180   9.383
   92   2HB   ASP   9           HB3      ASP   9   1.395 -11.950  10.380
   93    H    ASN  10           H        ASN  10   0.603  -9.149  12.275
   94    HA   ASN  10           HA       ASN  10   0.054  -7.507   9.915
   95   1HB   ASN  10           HB2      ASN  10  -0.247  -5.630  11.701
   96   2HB   ASN  10           HB3      ASN  10  -1.584  -6.704  11.323
   97   1HD2  ASN  10          1HD2      ASN  10  -1.033  -5.126  13.685
   98   2HD2  ASN  10          2HD2      ASN  10  -0.998  -6.234  15.002
   99    H    ASP  11           H        ASP  11   1.375  -6.300  12.870
  100    HA   ASP  11           HA       ASP  11   3.501  -4.973  11.784
  101   1HB   ASP  11           HB2      ASP  11   4.454  -5.098  14.143
  102   2HB   ASP  11           HB3      ASP  11   2.852  -4.397  13.970
  103    H    LYS  12           H        LYS  12   4.762  -6.056  10.377
  104    HA   LYS  12           HA       LYS  12   6.195  -8.426  11.328
  105   1HB   LYS  12           HB2      LYS  12   5.056  -8.826   9.255
  106   2HB   LYS  12           HB3      LYS  12   5.698  -7.348   8.552
  107   1HG   LYS  12           HG2      LYS  12   7.048  -8.906   7.578
  108   2HG   LYS  12           HG3      LYS  12   7.997  -8.485   9.003
  109   1HD   LYS  12           HD2      LYS  12   6.066 -10.786   9.010
  110   2HD   LYS  12           HD3      LYS  12   7.727 -10.970   8.448
  111   1HE   LYS  12           HE2      LYS  12   8.520 -10.132  10.633
  112   2HE   LYS  12           HE3      LYS  12   6.847 -10.064  11.185
  113   1HZ   LYS  12           HZ2      LYS  12   6.676 -12.451  10.836
  114   2HZ   LYS  12           HZ1      LYS  12   8.286 -12.513  10.321
  115   3HZ   LYS  12           HZ3      LYS  12   7.925 -12.089  11.919
  116    H    TRP  13           H        TRP  13   7.796  -7.507  12.532
  117    HA   TRP  13           HA       TRP  13   9.422  -5.357  11.513
  118   1HB   TRP  13           HB2      TRP  13  10.019  -6.942  13.994
  119   2HB   TRP  13           HB3      TRP  13  10.303  -5.237  13.671
  120    HD1  TRP  13           HD1      TRP  13   7.346  -7.633  14.358
  121    HE1  TRP  13           HE1      TRP  13   5.443  -6.287  15.442
  122    HE3  TRP  13           HE3      TRP  13   9.435  -2.965  14.179
  123    HZ2  TRP  13           HZ2      TRP  13   4.878  -3.608  16.121
  124    HZ3  TRP  13           HZ3      TRP  13   8.151  -1.069  15.079
  125    HH2  TRP  13           HH2      TRP  13   5.926  -1.385  16.035
  126    H    VAL  14           H        VAL  14  10.828  -5.867   9.917
  127    HA   VAL  14           HA       VAL  14  12.762  -8.001  10.474
  128    HB   VAL  14           HB       VAL  14  12.531  -8.977   8.217
  129   1HG1  VAL  14          2HG1      VAL  14  10.033  -9.099   9.901
  130   2HG1  VAL  14          1HG1      VAL  14  10.498 -10.271   8.667
  131   3HG1  VAL  14          3HG1      VAL  14  11.485 -10.076  10.116
  132   1HG2  VAL  14          3HG2      VAL  14  10.072  -7.242   8.067
  133   2HG2  VAL  14          2HG2      VAL  14  11.507  -7.136   7.048
  134   3HG2  VAL  14          1HG2      VAL  14  10.455  -8.548   6.945
  135    H    ASP  15           H        ASP  15  14.156  -8.174   8.281
  136    HA   ASP  15           HA       ASP  15  15.171  -5.452   7.822
  137   1HB   ASP  15           HB2      ASP  15  16.432  -8.137   8.096
  138   2HB   ASP  15           HB3      ASP  15  17.222  -6.965   7.042
  139    H    THR  16           H        THR  16  16.563  -5.521   5.611
  140    HA   THR  16           HA       THR  16  15.629  -7.095   3.476
  141    HB   THR  16           HB       THR  16  13.559  -5.668   4.064
  142    HG1  THR  16           HG1      THR  16  13.514  -5.196   1.550
  143   1HG2  THR  16          3HG2      THR  16  14.773  -3.526   4.245
  144   2HG2  THR  16          2HG2      THR  16  15.142  -3.615   2.523
  145   3HG2  THR  16          1HG2      THR  16  13.470  -3.466   3.058
  146    H    HIS  17           H        HIS  17  15.894  -5.676   1.293
  147    HA   HIS  17           HA       HIS  17  18.463  -4.256   1.551
  148   1HB   HIS  17           HB2      HIS  17  17.508  -5.910  -0.798
  149   2HB   HIS  17           HB3      HIS  17  19.067  -5.102  -0.656
  150    HD1  HIS  17           HD1      HIS  17  20.917  -6.372   0.455
  151    HD2  HIS  17           HD2      HIS  17  17.201  -8.142   1.029
  152    HE1  HIS  17           HE1      HIS  17  21.389  -8.588   1.546
  153    HE2  HIS  17           HE2      HIS  17  19.121  -9.601   1.964
  154    H    VAL  18           H        VAL  18  18.632  -3.257  -1.043
  155    HA   VAL  18           HA       VAL  18  16.653  -1.139  -0.873
  156    HB   VAL  18           HB       VAL  18  18.925  -1.411  -2.844
  157   1HG1  VAL  18          1HG1      VAL  18  17.268   0.966  -2.002
  158   2HG1  VAL  18          3HG1      VAL  18  18.658   1.021  -3.085
  159   3HG1  VAL  18          2HG1      VAL  18  17.204   0.145  -3.562
  160   1HG2  VAL  18          1HG2      VAL  18  18.848   0.020  -0.190
  161   2HG2  VAL  18          3HG2      VAL  18  19.788  -1.423  -0.570
  162   3HG2  VAL  18          2HG2      VAL  18  20.161   0.107  -1.364
  163    H    GLY  19           H        GLY  19  15.037  -0.743  -2.227
  164   1HA   GLY  19           HA3      GLY  19  14.800  -1.640  -4.885
  165   2HA   GLY  19           HA2      GLY  19  13.503  -1.011  -3.893
  166    H    LYS  20           H        LYS  20  14.416  -3.414  -2.018
  167    HA   LYS  20           HA       LYS  20  13.694  -5.771  -3.335
  168   1HB   LYS  20           HB2      LYS  20  14.612  -5.206  -0.863
  169   2HB   LYS  20           HB3      LYS  20  12.930  -5.511  -0.484
  170   1HG   LYS  20           HG2      LYS  20  13.905  -7.581  -0.210
  171   2HG   LYS  20           HG3      LYS  20  13.244  -7.673  -1.848
  172   1HD   LYS  20           HD2      LYS  20  15.340  -7.364  -2.832
  173   2HD   LYS  20           HD3      LYS  20  16.030  -6.734  -1.338
  174   1HE   LYS  20           HE2      LYS  20  15.855  -8.957  -0.323
  175   2HE   LYS  20           HE3      LYS  20  15.153  -9.582  -1.815
  176   1HZ   LYS  20           HZ1      LYS  20  17.883  -8.447  -1.533
  177   2HZ   LYS  20           HZ3      LYS  20  17.506 -10.092  -1.666
  178   3HZ   LYS  20           HZ2      LYS  20  17.210  -9.048  -2.964
  179    H    THR  21           H        THR  21  11.918  -5.192  -4.659
  180    HA   THR  21           HA       THR  21   9.524  -4.063  -3.829
  181    HB   THR  21           HB       THR  21   9.626  -6.197  -5.947
  182    HG1  THR  21           HG1      THR  21  11.348  -4.863  -6.443
  183   1HG2  THR  21          2HG2      THR  21   7.439  -5.230  -5.389
  184   2HG2  THR  21          1HG2      THR  21   8.073  -3.615  -5.699
  185   3HG2  THR  21          3HG2      THR  21   7.943  -4.780  -7.017
  186    H    THR  22           H        THR  22   8.680  -4.815  -1.949
  187    HA   THR  22           HA       THR  22   8.129  -7.670  -1.688
  188    HB   THR  22           HB       THR  22   7.822  -5.401   0.291
  189    HG1  THR  22           HG1      THR  22   9.933  -6.733  -0.426
  190   1HG2  THR  22          3HG2      THR  22   7.357  -8.359   0.689
  191   2HG2  THR  22          2HG2      THR  22   7.344  -7.136   1.959
  192   3HG2  THR  22          1HG2      THR  22   6.115  -7.107   0.694
  193    H    GLU  23           H        GLU  23   6.450  -8.138  -2.953
  194    HA   GLU  23           HA       GLU  23   4.130  -6.505  -3.195
  195   1HB   GLU  23           HB2      GLU  23   5.002  -8.019  -4.968
  196   2HB   GLU  23           HB3      GLU  23   4.554  -9.394  -3.968
  197   1HG   GLU  23           HG2      GLU  23   2.261  -8.940  -4.185
  198   2HG   GLU  23           HG3      GLU  23   2.572  -7.327  -4.826
  199    H    ILE  24           H        ILE  24   2.271  -6.590  -2.090
  200    HA   ILE  24           HA       ILE  24   1.868  -8.819  -0.220
  201    HB   ILE  24           HB       ILE  24   1.345  -5.941   0.456
  202   1HG1  ILE  24          2HG1      ILE  24   3.615  -7.714   1.368
  203   2HG1  ILE  24          3HG1      ILE  24   3.765  -6.381   0.229
  204   1HG2  ILE  24          3HG2      ILE  24  -0.090  -7.571   1.590
  205   2HG2  ILE  24          2HG2      ILE  24   1.344  -8.416   2.176
  206   3HG2  ILE  24          1HG2      ILE  24   1.005  -6.772   2.718
  207   1HD1  ILE  24          2HD1      ILE  24   2.880  -4.900   2.087
  208   2HD1  ILE  24          1HD1      ILE  24   3.180  -6.266   3.161
  209   3HD1  ILE  24          3HD1      ILE  24   4.514  -5.536   2.269
  210    H    HIS  25           H        HIS  25   0.191  -9.774  -1.239
  211    HA   HIS  25           HA       HIS  25  -2.081  -8.220  -2.136
  212   1HB   HIS  25           HB2      HIS  25  -2.099 -11.205  -1.956
  213   2HB   HIS  25           HB3      HIS  25  -2.859 -10.160  -3.143
  214    HD1  HIS  25           HD1      HIS  25  -0.215 -12.478  -2.897
  215    HD2  HIS  25           HD2      HIS  25  -0.676  -8.801  -4.774
  216    HE1  HIS  25           HE1      HIS  25   1.541 -12.417  -4.694
  217    HE2  HIS  25           HE2      HIS  25   1.129 -10.256  -5.919
  218    H    LEU  26           H        LEU  26  -3.443  -7.518  -0.628
  219    HA   LEU  26           HA       LEU  26  -3.952  -9.215   1.723
  220   1HB   LEU  26           HB2      LEU  26  -4.460  -6.266   1.385
  221   2HB   LEU  26           HB3      LEU  26  -4.676  -7.185   2.858
  222    HG   LEU  26           HG       LEU  26  -1.999  -6.840   1.510
  223   1HD1  LEU  26          1HD1      LEU  26  -3.197  -5.245   3.772
  224   2HD1  LEU  26          3HD1      LEU  26  -1.532  -5.134   3.200
  225   3HD1  LEU  26          2HD1      LEU  26  -2.861  -4.652   2.145
  226   1HD2  LEU  26          3HD2      LEU  26  -2.286  -8.766   3.054
  227   2HD2  LEU  26          2HD2      LEU  26  -1.091  -7.590   3.602
  228   3HD2  LEU  26          1HD2      LEU  26  -2.696  -7.626   4.336
  229    H    LYS  27           H        LYS  27  -6.094  -9.551   2.400
  230    HA   LYS  27           HA       LYS  27  -8.035  -9.249   0.226
  231   1HB   LYS  27           HB2      LYS  27  -8.431 -10.920   2.692
  232   2HB   LYS  27           HB3      LYS  27  -9.240 -11.058   1.139
  233   1HG   LYS  27           HG2      LYS  27  -7.074 -11.741   0.129
  234   2HG   LYS  27           HG3      LYS  27  -6.379 -11.756   1.752
  235   1HD   LYS  27           HD2      LYS  27  -8.029 -13.433   2.441
  236   2HD   LYS  27           HD3      LYS  27  -8.706 -13.429   0.812
  237   1HE   LYS  27           HE2      LYS  27  -6.566 -14.199  -0.082
  238   2HE   LYS  27           HE3      LYS  27  -5.884 -14.197   1.543
  239   1HZ   LYS  27           HZ1      LYS  27  -8.155 -15.878   0.631
  240   2HZ   LYS  27           HZ3      LYS  27  -6.567 -16.413   0.870
  241   3HZ   LYS  27           HZ2      LYS  27  -7.489 -15.882   2.186
  242    H    GLY  28           H        GLY  28 -10.274  -8.761   0.812
  243   1HA   GLY  28           HA3      GLY  28 -10.426  -6.331   2.233
  244   2HA   GLY  28           HA2      GLY  28 -11.046  -7.624   3.244
  245    H    ASN  29           H        ASN  29 -12.082  -5.225   1.438
  246    HA   ASN  29           HA       ASN  29 -13.884  -6.336  -0.409
  247   1HB   ASN  29           HB2      ASN  29 -15.996  -5.877   0.979
  248   2HB   ASN  29           HB3      ASN  29 -15.105  -7.356   1.324
  249   1HD2  ASN  29          1HD2      ASN  29 -16.019  -4.224   2.478
  250   2HD2  ASN  29          2HD2      ASN  29 -15.474  -4.436   4.104
  251    HA   PRO  30           HA       PRO  30 -13.293  -1.782  -0.755
  252   1HB   PRO  30           HB2      PRO  30 -13.630  -1.779  -3.474
  253   2HB   PRO  30           HB3      PRO  30 -12.077  -2.042  -2.676
  254   1HG   PRO  30           HG2      PRO  30 -14.005  -4.048  -3.777
  255   2HG   PRO  30           HG3      PRO  30 -12.238  -4.002  -3.919
  256   1HD   PRO  30           HD2      PRO  30 -13.455  -5.617  -2.164
  257   2HD   PRO  30           HD3      PRO  30 -11.920  -4.817  -1.768
  258    H    THR  31           H        THR  31 -14.722  -0.115  -1.599
  259    HA   THR  31           HA       THR  31 -16.776   0.865  -1.526
  260    HB   THR  31           HB       THR  31 -18.153   0.348  -3.363
  261    HG1  THR  31           HG1      THR  31 -18.511  -1.847  -3.090
  262   1HG2  THR  31          3HG2      THR  31 -15.343  -0.477  -4.083
  263   2HG2  THR  31          2HG2      THR  31 -16.578   0.061  -5.222
  264   3HG2  THR  31          1HG2      THR  31 -15.952   1.177  -4.008
  265    H    THR  32           H        THR  32 -16.368  -1.313   0.442
  266    HA   THR  32           HA       THR  32 -19.205  -1.851   0.977
  267    HB   THR  32           HB       THR  32 -16.955  -3.850   1.221
  268    HG1  THR  32           HG1      THR  32 -19.061  -3.439  -0.542
  269   1HG2  THR  32          2HG2      THR  32 -19.819  -4.061   2.154
  270   2HG2  THR  32          1HG2      THR  32 -18.665  -5.393   2.103
  271   3HG2  THR  32          3HG2      THR  32 -18.384  -4.024   3.178
  272    H    GLY  33           H        GLY  33 -16.150  -2.644   2.633
  273   1HA   GLY  33           HA3      GLY  33 -16.079  -2.612   5.054
  274   2HA   GLY  33           HA2      GLY  33 -17.226  -1.283   5.017
  275    H    TYR  34           H        TYR  34 -14.025  -2.108   5.380
  276    HA   TYR  34           HA       TYR  34 -13.236   0.702   5.201
  277   1HB   TYR  34           HB2      TYR  34 -11.862  -1.656   6.506
  278   2HB   TYR  34           HB3      TYR  34 -11.261  -0.006   6.532
  279    HD1  TYR  34           HD1      TYR  34 -14.614  -1.559   7.188
  280    HD2  TYR  34           HD2      TYR  34 -11.467   0.924   8.627
  281    HE1  TYR  34           HE1      TYR  34 -15.895  -1.131   9.241
  282    HE2  TYR  34           HE2      TYR  34 -12.742   1.356  10.682
  283    HH   TYR  34           HH       TYR  34 -15.482  -0.444  11.561
  284    H    MET  35           H        MET  35 -10.508   0.445   4.946
  285    HA   MET  35           HA       MET  35 -10.045  -0.892   2.392
  286   1HB   MET  35           HB2      MET  35 -10.313   1.219   1.518
  287   2HB   MET  35           HB3      MET  35  -9.874   2.012   3.026
  288   1HG   MET  35           HG2      MET  35  -7.503   1.286   2.591
  289   2HG   MET  35           HG3      MET  35  -8.044   0.783   1.004
  290   1HE   MET  35           HE3      MET  35 -10.080   2.866   0.059
  291   2HE   MET  35           HE2      MET  35  -9.089   4.113  -0.698
  292   3HE   MET  35           HE1      MET  35  -8.714   2.410  -0.958
  293    H    TRP  36           H        TRP  36  -7.824  -1.307   1.975
  294    HA   TRP  36           HA       TRP  36  -6.148  -1.258   4.390
  295   1HB   TRP  36           HB2      TRP  36  -6.679  -3.314   2.368
  296   2HB   TRP  36           HB3      TRP  36  -4.980  -3.080   2.730
  297    HD1  TRP  36           HD1      TRP  36  -7.813  -5.063   3.849
  298    HE1  TRP  36           HE1      TRP  36  -7.430  -5.999   6.219
  299    HE3  TRP  36           HE3      TRP  36  -3.849  -2.160   5.229
  300    HZ2  TRP  36           HZ2      TRP  36  -5.674  -5.559   8.381
  301    HZ3  TRP  36           HZ3      TRP  36  -2.875  -2.480   7.459
  302    HH2  TRP  36           HH2      TRP  36  -3.773  -4.142   9.003
  303    H    THR  37           H        THR  37  -5.017   0.610   4.138
  304    HA   THR  37           HA       THR  37  -3.202   0.712   1.838
  305    HB   THR  37           HB       THR  37  -5.160   2.107   1.243
  306    HG1  THR  37           HG1      THR  37  -3.897   3.735   0.483
  307   1HG2  THR  37          1HG2      THR  37  -5.783   2.796   3.518
  308   2HG2  THR  37          3HG2      THR  37  -4.319   3.773   3.621
  309   3HG2  THR  37          2HG2      THR  37  -5.574   4.185   2.452
  310    H    ARG  38           H        ARG  38  -2.003   3.210   2.401
  311    HA   ARG  38           HA       ARG  38  -0.570   2.516   4.834
  312   1HB   ARG  38           HB2      ARG  38  -0.015   4.238   2.471
  313   2HB   ARG  38           HB3      ARG  38   0.748   4.677   3.987
  314   1HG   ARG  38           HG2      ARG  38   1.892   2.644   4.128
  315   2HG   ARG  38           HG3      ARG  38   0.939   1.938   2.823
  316   1HD   ARG  38           HD2      ARG  38   3.304   2.749   2.307
  317   2HD   ARG  38           HD3      ARG  38   2.035   3.168   1.190
  318    HE   ARG  38           HE       ARG  38   2.064   5.400   2.213
  319   1HH1  ARG  38          1HH1      ARG  38   4.776   3.290   2.791
  320   2HH1  ARG  38          2HH1      ARG  38   5.898   4.584   3.048
  321   1HH2  ARG  38          1HH2      ARG  38   3.551   7.116   2.533
  322   2HH2  ARG  38          2HH2      ARG  38   5.202   6.754   2.906
  323    H    VAL  39           H        VAL  39  -0.075   4.117   6.469
  324    HA   VAL  39           HA       VAL  39  -2.414   5.513   7.316
  325    HB   VAL  39           HB       VAL  39   0.359   5.699   8.492
  326   1HG1  VAL  39          3HG1      VAL  39  -2.361   6.215   9.684
  327   2HG1  VAL  39          2HG1      VAL  39  -0.832   6.265  10.560
  328   3HG1  VAL  39          1HG1      VAL  39  -1.151   7.431   9.277
  329   1HG2  VAL  39          1HG2      VAL  39  -0.557   3.355   8.241
  330   2HG2  VAL  39          3HG2      VAL  39  -0.128   3.853   9.877
  331   3HG2  VAL  39          2HG2      VAL  39  -1.818   3.829   9.379
  332    H    GLY  40           H        GLY  40  -2.965   7.593   7.102
  333   1HA   GLY  40           HA3      GLY  40  -1.001   9.664   6.713
  334   2HA   GLY  40           HA2      GLY  40  -2.742   9.877   6.792
  335    H    PHE  41           H        PHE  41  -2.719   7.606   4.630
  336    HA   PHE  41           HA       PHE  41  -2.466   9.482   2.387
  337   1HB   PHE  41           HB2      PHE  41  -1.503   6.618   2.330
  338   2HB   PHE  41           HB3      PHE  41  -1.403   7.784   1.014
  339    HD1  PHE  41           HD1      PHE  41  -0.065   9.946   1.506
  340    HD2  PHE  41           HD2      PHE  41   0.246   6.377   3.790
  341    HE1  PHE  41           HE1      PHE  41   2.120  10.694   2.361
  342    HE2  PHE  41           HE2      PHE  41   2.434   7.111   4.653
  343    HZ   PHE  41           HZ       PHE  41   3.372   9.275   3.939
  344    H    VAL  42           H        VAL  42  -4.325   7.393   4.113
  345    HA   VAL  42           HA       VAL  42  -5.815   5.906   2.358
  346    HB   VAL  42           HB       VAL  42  -7.007   7.477   4.641
  347   1HG1  VAL  42          1HG1      VAL  42  -8.556   6.288   3.089
  348   2HG1  VAL  42          3HG1      VAL  42  -7.768   4.778   3.544
  349   3HG1  VAL  42          2HG1      VAL  42  -8.628   5.726   4.757
  350   1HG2  VAL  42          3HG2      VAL  42  -4.856   6.180   5.139
  351   2HG2  VAL  42          2HG2      VAL  42  -6.260   5.872   6.157
  352   3HG2  VAL  42          1HG2      VAL  42  -5.829   4.734   4.883
  353    H    GLY  43           H        GLY  43  -7.042   6.349   0.650
  354   1HA   GLY  43           HA3      GLY  43  -8.547   8.850   0.543
  355   2HA   GLY  43           HA2      GLY  43  -8.750   7.469  -0.524
  356    H    LYS  44           H        LYS  44  -5.655   8.935   0.225
  357    HA   LYS  44           HA       LYS  44  -5.490  10.671  -1.980
  358   1HB   LYS  44           HB2      LYS  44  -3.283   9.299  -0.437
  359   2HB   LYS  44           HB3      LYS  44  -3.065  10.660  -1.520
  360   1HG   LYS  44           HG2      LYS  44  -4.594  11.977  -0.043
  361   2HG   LYS  44           HG3      LYS  44  -4.555  10.623   1.090
  362   1HD   LYS  44           HD2      LYS  44  -2.118  10.842   1.256
  363   2HD   LYS  44           HD3      LYS  44  -2.169  12.207   0.137
  364   1HE   LYS  44           HE2      LYS  44  -3.564  13.450   1.717
  365   2HE   LYS  44           HE3      LYS  44  -3.516  12.085   2.834
  366   1HZ   LYS  44           HZ1      LYS  44  -1.119  12.356   3.001
  367   2HZ   LYS  44           HZ3      LYS  44  -1.168  13.667   1.933
  368   3HZ   LYS  44           HZ2      LYS  44  -1.913  13.780   3.447
  369    H    ASP  45           H        ASP  45  -3.744  10.388  -3.700
  370    HA   ASP  45           HA       ASP  45  -4.369   8.056  -5.227
  371   1HB   ASP  45           HB2      ASP  45  -2.568  10.430  -5.671
  372   2HB   ASP  45           HB3      ASP  45  -2.672   9.106  -6.820
  373    H    VAL  46           H        VAL  46  -1.267   9.427  -4.162
  374    HA   VAL  46           HA       VAL  46  -0.127   6.715  -4.172
  375    HB   VAL  46           HB       VAL  46   0.962   8.430  -5.619
  376   1HG1  VAL  46          2HG1      VAL  46   0.607  10.385  -4.226
  377   2HG1  VAL  46          1HG1      VAL  46   1.668   9.713  -2.986
  378   3HG1  VAL  46          3HG1      VAL  46   2.326  10.167  -4.558
  379   1HG2  VAL  46          1HG2      VAL  46   2.639   7.351  -3.356
  380   2HG2  VAL  46          3HG2      VAL  46   2.209   6.495  -4.836
  381   3HG2  VAL  46          2HG2      VAL  46   3.254   7.913  -4.910
  382    H    LEU  47           H        LEU  47   0.891   5.901  -2.402
  383    HA   LEU  47           HA       LEU  47   0.352   7.266   0.122
  384   1HB   LEU  47           HB2      LEU  47   1.495   4.526  -0.049
  385   2HB   LEU  47           HB3      LEU  47   0.431   5.206   1.160
  386    HG   LEU  47           HG       LEU  47  -0.401   4.470  -1.646
  387   1HD1  LEU  47          2HD1      LEU  47  -0.843   3.037   0.969
  388   2HD1  LEU  47          1HD1      LEU  47  -1.586   2.605  -0.571
  389   3HD1  LEU  47          3HD1      LEU  47   0.163   2.487  -0.370
  390   1HD2  LEU  47          1HD2      LEU  47  -2.016   5.336   0.747
  391   2HD2  LEU  47          3HD2      LEU  47  -1.738   6.273  -0.722
  392   3HD2  LEU  47          2HD2      LEU  47  -2.676   4.782  -0.792
  393    H    SER  48           H        SER  48   2.972   5.553  -1.512
  394    HA   SER  48           HA       SER  48   5.060   5.972   0.201
  395   1HB   SER  48           HB2      SER  48   6.472   5.484  -1.612
  396   2HB   SER  48           HB3      SER  48   4.954   4.692  -2.022
  397    HG   SER  48           HG       SER  48   6.248   6.385  -3.497
  398    H    ASP  49           H        ASP  49   7.062   7.375  -0.513
  399    HA   ASP  49           HA       ASP  49   6.370  10.050  -1.373
  400   1HB   ASP  49           HB2      ASP  49   7.227   9.444   1.452
  401   2HB   ASP  49           HB3      ASP  49   7.451  11.032   0.723
  402    H    GLU  50           H        GLU  50   9.031   9.019   0.704
  403    HA   GLU  50           HA       GLU  50  10.868   9.172  -1.575
  404   1HB   GLU  50           HB2      GLU  50  12.393  10.565  -0.311
  405   2HB   GLU  50           HB3      GLU  50  10.816  11.342  -0.401
  406   1HG   GLU  50           HG2      GLU  50  10.303  10.620   1.855
  407   2HG   GLU  50           HG3      GLU  50  11.858   9.794   1.959
  408    H    ILE  51           H        ILE  51  10.190   8.069   1.676
  409    HA   ILE  51           HA       ILE  51  12.610   6.653   2.095
  410    HB   ILE  51           HB       ILE  51   9.912   6.168   3.359
  411   1HG1  ILE  51          2HG1      ILE  51  10.731   8.526   3.517
  412   2HG1  ILE  51          3HG1      ILE  51  10.555   7.719   5.068
  413   1HG2  ILE  51          2HG2      ILE  51  12.701   5.432   4.225
  414   2HG2  ILE  51          1HG2      ILE  51  11.271   5.302   5.249
  415   3HG2  ILE  51          3HG2      ILE  51  11.395   4.335   3.781
  416   1HD1  ILE  51          1HD1      ILE  51  13.142   8.109   3.582
  417   2HD1  ILE  51          3HD1      ILE  51  12.589   9.062   4.959
  418   3HD1  ILE  51          2HD1      ILE  51  12.955   7.348   5.163
  419    H    LEU  52           H        LEU  52   9.474   5.048   2.103
  420    HA   LEU  52           HA       LEU  52  10.659   2.826   0.617
  421   1HB   LEU  52           HB2      LEU  52   8.475   3.128   2.569
  422   2HB   LEU  52           HB3      LEU  52   8.168   1.975   1.284
  423    HG   LEU  52           HG       LEU  52  10.610   1.903   3.044
  424   1HD1  LEU  52          3HD1      LEU  52   8.012   0.398   3.285
  425   2HD1  LEU  52          2HD1      LEU  52   9.487   0.010   4.172
  426   3HD1  LEU  52          1HD1      LEU  52   8.679   1.555   4.436
  427   1HD2  LEU  52          1HD2      LEU  52  10.808   0.823   0.834
  428   2HD2  LEU  52          3HD2      LEU  52  10.898  -0.329   2.167
  429   3HD2  LEU  52          2HD2      LEU  52   9.413  -0.182   1.227
  430    H    GLU  53           H        GLU  53  10.368   2.732  -1.516
  431    HA   GLU  53           HA       GLU  53   8.430   4.271  -2.886
  432   1HB   GLU  53           HB2      GLU  53  10.657   3.352  -3.795
  433   2HB   GLU  53           HB3      GLU  53   9.787   1.846  -4.029
  434   1HG   GLU  53           HG2      GLU  53   8.286   2.828  -5.537
  435   2HG   GLU  53           HG3      GLU  53   8.830   4.451  -5.128
  436    H    VAL  54           H        VAL  54   6.503   3.720  -1.895
  437    HA   VAL  54           HA       VAL  54   5.560   0.980  -2.009
  438    HB   VAL  54           HB       VAL  54   4.106   3.408  -0.973
  439   1HG1  VAL  54          2HG1      VAL  54   3.613   0.451  -0.661
  440   2HG1  VAL  54          1HG1      VAL  54   2.781   1.704   0.259
  441   3HG1  VAL  54          3HG1      VAL  54   2.588   1.623  -1.493
  442   1HG2  VAL  54          1HG2      VAL  54   5.961   1.472   0.377
  443   2HG2  VAL  54          3HG2      VAL  54   6.017   3.233   0.379
  444   3HG2  VAL  54          2HG2      VAL  54   4.754   2.390   1.274
  445    H    VAL  55           H        VAL  55   5.244   0.607  -4.206
  446    HA   VAL  55           HA       VAL  55   3.510   2.318  -5.733
  447    HB   VAL  55           HB       VAL  55   4.353  -0.491  -6.415
  448   1HG1  VAL  55          3HG1      VAL  55   2.452   0.580  -7.660
  449   2HG1  VAL  55          2HG1      VAL  55   3.608   1.775  -8.247
  450   3HG1  VAL  55          1HG1      VAL  55   3.816   0.072  -8.661
  451   1HG2  VAL  55          3HG2      VAL  55   5.758   2.100  -7.049
  452   2HG2  VAL  55          2HG2      VAL  55   6.345   0.829  -5.978
  453   3HG2  VAL  55          1HG2      VAL  55   6.186   0.521  -7.707
  454    H    CYS  56           H        CYS  56   1.666   2.358  -4.490
  455    HA   CYS  56           HA       CYS  56   0.294   0.043  -3.596
  456   1HB   CYS  56           HB2      CYS  56  -0.084   2.097  -2.435
  457   2HB   CYS  56           HB3      CYS  56  -0.578   2.911  -3.911
  458    HG   CYS  56           HG       CYS  56  -3.056   2.629  -3.306
  459    H    LYS  57           H        LYS  57  -1.251  -1.149  -4.512
  460    HA   LYS  57           HA       LYS  57  -2.384  -0.297  -7.068
  461   1HB   LYS  57           HB2      LYS  57  -1.073  -2.942  -6.507
  462   2HB   LYS  57           HB3      LYS  57  -2.041  -2.604  -7.927
  463   1HG   LYS  57           HG2      LYS  57  -0.455  -0.872  -8.603
  464   2HG   LYS  57           HG3      LYS  57   0.515  -1.207  -7.168
  465   1HD   LYS  57           HD2      LYS  57   1.606  -2.407  -8.834
  466   2HD   LYS  57           HD3      LYS  57   0.595  -3.627  -8.059
  467   1HE   LYS  57           HE2      LYS  57  -0.158  -2.118 -10.557
  468   2HE   LYS  57           HE3      LYS  57   0.565  -3.726 -10.542
  469   1HZ   LYS  57           HZ2      LYS  57  -1.366  -4.464  -9.202
  470   2HZ   LYS  57           HZ1      LYS  57  -2.075  -2.947  -9.437
  471   3HZ   LYS  57           HZ3      LYS  57  -1.778  -3.957 -10.762
  472    H    TYR  58           H        TYR  58  -3.816  -0.037  -4.893
  473    HA   TYR  58           HA       TYR  58  -5.254  -2.161  -3.858
  474   1HB   TYR  58           HB2      TYR  58  -5.422   0.221  -3.088
  475   2HB   TYR  58           HB3      TYR  58  -6.366   0.583  -4.527
  476    HD1  TYR  58           HD1      TYR  58  -8.110  -1.945  -4.499
  477    HD2  TYR  58           HD2      TYR  58  -6.967   0.784  -1.422
  478    HE1  TYR  58           HE1      TYR  58 -10.170  -2.489  -3.285
  479    HE2  TYR  58           HE2      TYR  58  -9.046   0.258  -0.212
  480    HH   TYR  58           HH       TYR  58 -11.026  -2.383  -0.984
  481    H    THR  59           H        THR  59  -6.223  -3.722  -4.971
  482    HA   THR  59           HA       THR  59  -7.430  -3.108  -7.569
  483    HB   THR  59           HB       THR  59  -7.595  -5.856  -7.185
  484    HG1  THR  59           HG1      THR  59  -4.975  -5.677  -6.706
  485   1HG2  THR  59          3HG2      THR  59  -5.425  -4.253  -8.549
  486   2HG2  THR  59          2HG2      THR  59  -5.790  -5.952  -8.850
  487   3HG2  THR  59          1HG2      THR  59  -6.974  -4.710  -9.259
  488    HA   PRO  60           HA       PRO  60 -11.330  -3.762  -5.391
  489   1HB   PRO  60           HB2      PRO  60 -12.572  -1.616  -6.280
  490   2HB   PRO  60           HB3      PRO  60 -11.200  -1.425  -5.182
  491   1HG   PRO  60           HG2      PRO  60 -11.359  -0.988  -8.128
  492   2HG   PRO  60           HG3      PRO  60 -10.372  -0.144  -6.920
  493   1HD   PRO  60           HD2      PRO  60  -9.594  -2.315  -8.612
  494   2HD   PRO  60           HD3      PRO  60  -8.634  -1.518  -7.350
  495    H    THR  61           H        THR  61 -10.437  -4.242  -8.503
  496    HA   THR  61           HA       THR  61 -13.181  -4.884  -9.365
  497    HB   THR  61           HB       THR  61 -11.088  -4.432 -11.427
  498    HG1  THR  61           HG1      THR  61 -12.459  -2.147 -10.686
  499   1HG2  THR  61          2HG2      THR  61 -14.030  -3.791 -11.220
  500   2HG2  THR  61          1HG2      THR  61 -13.021  -3.450 -12.627
  501   3HG2  THR  61          3HG2      THR  61 -13.298  -5.117 -12.125
  502    HA   PRO  62           HA       PRO  62 -11.571  -9.017  -9.775
  503   1HB   PRO  62           HB2      PRO  62 -13.695 -10.186 -10.920
  504   2HB   PRO  62           HB3      PRO  62 -13.731  -9.639  -9.240
  505   1HG   PRO  62           HG2      PRO  62 -14.855  -8.335 -11.686
  506   2HG   PRO  62           HG3      PRO  62 -15.560  -8.476 -10.066
  507   1HD   PRO  62           HD2      PRO  62 -14.285  -6.229 -11.008
  508   2HD   PRO  62           HD3      PRO  62 -14.444  -6.643  -9.291
  509    H    SER  63           H        SER  63 -11.303 -10.716 -11.495
  510    HA   SER  63           HA       SER  63 -11.522  -9.980 -14.243
  511   1HB   SER  63           HB2      SER  63  -9.590  -8.579 -13.632
  512   2HB   SER  63           HB3      SER  63  -8.744 -10.007 -13.038
  513    HG   SER  63           HG       SER  63  -8.980  -9.086 -15.568
  514    H    SER  64           H        SER  64 -10.341 -11.616 -15.658
  515    HA   SER  64           HA       SER  64 -10.401 -14.246 -14.328
  516   1HB   SER  64           HB2      SER  64 -11.114 -15.181 -16.501
  517   2HB   SER  64           HB3      SER  64 -12.251 -13.969 -15.910
  518    HG   SER  64           HG       SER  64 -11.768 -12.716 -17.540
  519    H    THR  65           H        THR  65  -8.239 -12.126 -15.222
  520    HA   THR  65           HA       THR  65  -6.568 -13.385 -17.096
  521    HB   THR  65           HB       THR  65  -4.758 -11.958 -16.173
  522    HG1  THR  65           HG1      THR  65  -5.651 -12.080 -13.951
  523   1HG2  THR  65          3HG2      THR  65  -7.408 -10.562 -16.569
  524   2HG2  THR  65          2HG2      THR  65  -5.822  -9.796 -16.673
  525   3HG2  THR  65          1HG2      THR  65  -6.280 -11.038 -17.839
  526    HA   PRO  66           HA       PRO  66  -4.635 -16.607 -14.765
  527   1HB   PRO  66           HB2      PRO  66  -2.253 -16.833 -15.968
  528   2HB   PRO  66           HB3      PRO  66  -3.752 -17.216 -16.829
  529   1HG   PRO  66           HG2      PRO  66  -2.153 -14.669 -16.864
  530   2HG   PRO  66           HG3      PRO  66  -2.769 -15.605 -18.243
  531   1HD   PRO  66           HD2      PRO  66  -4.052 -13.427 -17.290
  532   2HD   PRO  66           HD3      PRO  66  -4.931 -14.820 -17.956
  533    H    MET  67           H        MET  67  -4.036 -13.584 -14.163
  534    HA   MET  67           HA       MET  67  -1.721 -14.085 -12.416
  535   1HB   MET  67           HB2      MET  67  -2.644 -11.461 -13.603
  536   2HB   MET  67           HB3      MET  67  -1.284 -11.657 -12.504
  537   1HG   MET  67           HG2      MET  67  -0.150 -13.054 -14.153
  538   2HG   MET  67           HG3      MET  67  -1.514 -12.861 -15.254
  539   1HE   MET  67           HE3      MET  67   1.508 -12.233 -16.060
  540   2HE   MET  67           HE2      MET  67   0.147 -12.035 -17.165
  541   3HE   MET  67           HE1      MET  67   1.304 -10.722 -16.948
  542    H    VAL  68           H        VAL  68  -3.188 -14.937 -10.839
  543    HA   VAL  68           HA       VAL  68  -5.383 -13.665  -9.739
  544    HB   VAL  68           HB       VAL  68  -3.368 -15.306  -8.197
  545   1HG1  VAL  68          2HG1      VAL  68  -4.978 -14.144  -6.783
  546   2HG1  VAL  68          1HG1      VAL  68  -6.307 -14.808  -7.733
  547   3HG1  VAL  68          3HG1      VAL  68  -5.280 -15.881  -6.781
  548   1HG2  VAL  68          2HG2      VAL  68  -5.746 -16.207  -9.820
  549   2HG2  VAL  68          1HG2      VAL  68  -4.048 -16.493 -10.204
  550   3HG2  VAL  68          3HG2      VAL  68  -4.768 -17.239  -8.777
  551    H    GLY  69           H        GLY  69  -5.651 -11.847  -8.639
  552   1HA   GLY  69           HA3      GLY  69  -3.284 -10.452  -7.616
  553   2HA   GLY  69           HA2      GLY  69  -4.596 -10.783  -6.495
  554    H    VAL  70           H        VAL  70  -6.702 -10.384  -8.407
  555    HA   VAL  70           HA       VAL  70  -6.880  -7.521  -8.249
  556    HB   VAL  70           HB       VAL  70  -5.750  -7.605 -10.332
  557   1HG1  VAL  70          3HG1      VAL  70  -6.032  -9.964 -10.830
  558   2HG1  VAL  70          2HG1      VAL  70  -7.732  -9.693 -11.214
  559   3HG1  VAL  70          1HG1      VAL  70  -6.475  -8.975 -12.221
  560   1HG2  VAL  70          1HG2      VAL  70  -7.752  -6.123 -10.189
  561   2HG2  VAL  70          3HG2      VAL  70  -7.324  -6.598 -11.832
  562   3HG2  VAL  70          2HG2      VAL  70  -8.676  -7.379 -11.012
  563    H    GLY  71           H        GLY  71  -8.669  -7.874  -6.941
  564   1HA   GLY  71           HA3      GLY  71 -10.812  -9.584  -7.671
  565   2HA   GLY  71           HA2      GLY  71 -11.149  -7.924  -8.112
  566    H    GLY  72           H        GLY  72 -10.192  -6.470  -6.064
  567   1HA   GLY  72           HA3      GLY  72 -11.925  -7.373  -3.878
  568   2HA   GLY  72           HA2      GLY  72 -11.502  -5.704  -4.206
  569    H    ILE  73           H        ILE  73  -8.630  -6.833  -4.618
  570    HA   ILE  73           HA       ILE  73  -8.022  -7.080  -1.753
  571    HB   ILE  73           HB       ILE  73  -5.950  -8.162  -2.307
  572   1HG1  ILE  73          2HG1      ILE  73  -6.650  -8.399  -5.191
  573   2HG1  ILE  73          3HG1      ILE  73  -5.876  -6.921  -4.622
  574   1HG2  ILE  73          1HG2      ILE  73  -8.017  -9.494  -2.079
  575   2HG2  ILE  73          3HG2      ILE  73  -8.144  -9.512  -3.839
  576   3HG2  ILE  73          2HG2      ILE  73  -6.757 -10.264  -3.044
  577   1HD1  ILE  73          3HD1      ILE  73  -4.041  -8.256  -3.694
  578   2HD1  ILE  73          2HD1      ILE  73  -4.808  -9.717  -4.323
  579   3HD1  ILE  73          1HD1      ILE  73  -4.219  -8.479  -5.437
  580    H    TYR  74           H        TYR  74  -5.350  -6.582  -1.783
  581    HA   TYR  74           HA       TYR  74  -5.056  -3.867  -2.851
  582   1HB   TYR  74           HB2      TYR  74  -4.110  -4.488  -0.073
  583   2HB   TYR  74           HB3      TYR  74  -4.522  -2.931  -0.786
  584    HD1  TYR  74           HD1      TYR  74  -6.712  -2.044  -0.584
  585    HD2  TYR  74           HD2      TYR  74  -5.968  -6.070   0.558
  586    HE1  TYR  74           HE1      TYR  74  -8.939  -2.166   0.453
  587    HE2  TYR  74           HE2      TYR  74  -8.190  -6.197   1.588
  588    HH   TYR  74           HH       TYR  74  -9.877  -4.676   2.521
  589    H    VAL  75           H        VAL  75  -3.367  -4.118  -4.220
  590    HA   VAL  75           HA       VAL  75  -1.178  -5.907  -3.477
  591    HB   VAL  75           HB       VAL  75  -1.751  -4.469  -6.071
  592   1HG1  VAL  75          3HG1      VAL  75   0.459  -6.405  -5.390
  593   2HG1  VAL  75          2HG1      VAL  75   0.079  -5.822  -7.010
  594   3HG1  VAL  75          1HG1      VAL  75   0.645  -4.695  -5.778
  595   1HG2  VAL  75          2HG2      VAL  75  -1.946  -7.376  -5.305
  596   2HG2  VAL  75          1HG2      VAL  75  -3.292  -6.286  -5.631
  597   3HG2  VAL  75          3HG2      VAL  75  -2.183  -6.732  -6.929
  598    H    VAL  76           H        VAL  76   0.140  -4.900  -2.069
  599    HA   VAL  76           HA       VAL  76   1.012  -2.159  -2.684
  600    HB   VAL  76           HB       VAL  76   1.373  -3.683  -0.101
  601   1HG1  VAL  76          1HG1      VAL  76   1.720  -0.762  -0.778
  602   2HG1  VAL  76          3HG1      VAL  76   1.842  -1.458   0.838
  603   3HG1  VAL  76          2HG1      VAL  76   3.005  -1.912  -0.408
  604   1HG2  VAL  76          2HG2      VAL  76  -0.999  -3.336  -0.570
  605   2HG2  VAL  76          1HG2      VAL  76  -0.464  -2.332   0.779
  606   3HG2  VAL  76          3HG2      VAL  76  -0.705  -1.614  -0.815
  607    H    LEU  77           H        LEU  77   2.910  -1.939  -3.666
  608    HA   LEU  77           HA       LEU  77   4.971  -4.001  -3.282
  609   1HB   LEU  77           HB2      LEU  77   4.642  -1.888  -5.411
  610   2HB   LEU  77           HB3      LEU  77   6.068  -2.898  -5.266
  611    HG   LEU  77           HG       LEU  77   3.254  -3.884  -5.797
  612   1HD1  LEU  77          3HD1      LEU  77   5.644  -3.667  -7.624
  613   2HD1  LEU  77          2HD1      LEU  77   4.096  -4.410  -8.031
  614   3HD1  LEU  77          1HD1      LEU  77   4.183  -2.680  -7.699
  615   1HD2  LEU  77          1HD2      LEU  77   4.945  -5.358  -4.505
  616   2HD2  LEU  77          3HD2      LEU  77   4.080  -6.043  -5.881
  617   3HD2  LEU  77          2HD2      LEU  77   5.748  -5.508  -6.069
  618    H    VAL  78           H        VAL  78   6.260  -3.491  -1.618
  619    HA   VAL  78           HA       VAL  78   6.920  -0.672  -1.177
  620    HB   VAL  78           HB       VAL  78   8.079  -2.339   0.815
  621   1HG1  VAL  78          3HG1      VAL  78   5.739  -0.421   0.863
  622   2HG1  VAL  78          2HG1      VAL  78   6.559  -1.054   2.293
  623   3HG1  VAL  78          1HG1      VAL  78   7.435  -0.027   1.160
  624   1HG2  VAL  78          2HG2      VAL  78   6.442  -4.029   0.109
  625   2HG2  VAL  78          1HG2      VAL  78   6.139  -3.443   1.743
  626   3HG2  VAL  78          3HG2      VAL  78   5.145  -2.872   0.403
  627    H    LYS  79           H        LYS  79   8.589  -0.058  -2.369
  628    HA   LYS  79           HA       LYS  79  10.922  -1.830  -2.600
  629   1HB   LYS  79           HB2      LYS  79   9.668   0.165  -4.406
  630   2HB   LYS  79           HB3      LYS  79  11.419   0.036  -4.457
  631   1HG   LYS  79           HG2      LYS  79  11.196  -2.385  -4.890
  632   2HG   LYS  79           HG3      LYS  79   9.432  -2.185  -4.937
  633   1HD   LYS  79           HD2      LYS  79  11.354  -0.707  -6.737
  634   2HD   LYS  79           HD3      LYS  79  10.544  -2.211  -7.181
  635   1HE   LYS  79           HE2      LYS  79   8.370  -1.132  -6.873
  636   2HE   LYS  79           HE3      LYS  79   9.178   0.371  -6.430
  637   1HZ   LYS  79           HZ2      LYS  79   9.394  -0.992  -9.059
  638   2HZ   LYS  79           HZ1      LYS  79   8.475   0.392  -8.738
  639   3HZ   LYS  79           HZ3      LYS  79  10.163   0.453  -8.633
  640    HA   PRO  80           HA       PRO  80  12.598   1.051   0.524
  641   1HB   PRO  80           HB2      PRO  80  14.950  -0.629  -0.235
  642   2HB   PRO  80           HB3      PRO  80  14.396  -0.123   1.367
  643   1HG   PRO  80           HG2      PRO  80  13.941  -2.598   0.488
  644   2HG   PRO  80           HG3      PRO  80  12.733  -1.729   1.444
  645   1HD   PRO  80           HD2      PRO  80  12.764  -2.338  -1.461
  646   2HD   PRO  80           HD3      PRO  80  11.388  -2.155  -0.356
  647    H    ARG  81           H        ARG  81  12.547   2.927  -0.716
  648    HA   ARG  81           HA       ARG  81  14.193   3.387  -2.978
  649   1HB   ARG  81           HB2      ARG  81  12.197   4.806  -1.478
  650   2HB   ARG  81           HB3      ARG  81  13.561   5.868  -1.796
  651   1HG   ARG  81           HG2      ARG  81  13.362   5.476  -4.167
  652   2HG   ARG  81           HG3      ARG  81  12.091   4.282  -3.892
  653   1HD   ARG  81           HD2      ARG  81  10.677   6.024  -2.914
  654   2HD   ARG  81           HD3      ARG  81  11.940   7.215  -3.215
  655    HE   ARG  81           HE       ARG  81  11.457   6.113  -5.661
  656   1HH1  ARG  81          1HH1      ARG  81   9.492   7.669  -3.240
  657   2HH1  ARG  81          2HH1      ARG  81   8.366   8.316  -4.386
  658   1HH2  ARG  81          1HH2      ARG  81   9.979   6.961  -7.176
  659   2HH2  ARG  81          2HH2      ARG  81   8.643   7.913  -6.623
  660    H    LYS  82           H        LYS  82  14.596   3.916   0.464
  661    HA   LYS  82           HA       LYS  82  17.313   4.932  -0.059
  662   1HB   LYS  82           HB2      LYS  82  15.575   5.510   2.347
  663   2HB   LYS  82           HB3      LYS  82  17.177   6.165   2.040
  664   1HG   LYS  82           HG2      LYS  82  16.285   7.287   0.023
  665   2HG   LYS  82           HG3      LYS  82  14.676   6.709   0.460
  666   1HD   LYS  82           HD2      LYS  82  14.803   7.924   2.573
  667   2HD   LYS  82           HD3      LYS  82  16.422   8.491   2.157
  668   1HE   LYS  82           HE2      LYS  82  13.884   9.101   0.646
  669   2HE   LYS  82           HE3      LYS  82  14.746  10.208   1.714
  670   1HZ   LYS  82           HZ3      LYS  82  16.649  10.101   0.226
  671   2HZ   LYS  82           HZ2      LYS  82  15.816   9.047  -0.801
  672   3HZ   LYS  82           HZ1      LYS  82  15.271  10.635  -0.600
  673    H    ARG  83           H        ARG  83  18.608   4.661   2.183
  674    HA   ARG  83           HA       ARG  83  18.293   1.839   2.980
  675   1HB   ARG  83           HB2      ARG  83  20.866   3.411   2.789
  676   2HB   ARG  83           HB3      ARG  83  20.711   1.707   3.185
  677   1HG   ARG  83           HG2      ARG  83  19.977   1.183   0.981
  678   2HG   ARG  83           HG3      ARG  83  19.858   2.894   0.560
  679   1HD   ARG  83           HD2      ARG  83  21.880   2.060  -0.383
  680   2HD   ARG  83           HD3      ARG  83  22.303   3.087   0.987
  681    HE   ARG  83           HE       ARG  83  22.092   0.340   1.727
  682   1HH1  ARG  83          1HH1      ARG  83  24.191   2.700   0.255
  683   2HH1  ARG  83          2HH1      ARG  83  25.644   1.853   0.667
  684   1HH2  ARG  83          1HH2      ARG  83  24.001  -0.782   2.274
  685   2HH2  ARG  83          2HH2      ARG  83  25.537  -0.127   1.812
  686    H    GLY  84           H        GLY  84  17.803   1.572   5.062
  687   1HA   GLY  84           HA3      GLY  84  18.284   3.795   6.914
  688   2HA   GLY  84           HA2      GLY  84  18.978   2.231   7.311
  689    H    HIS  85           H        HIS  85  16.478   4.200   7.983
  690    HA   HIS  85           HA       HIS  85  14.896   1.985   9.018
  691   1HB   HIS  85           HB2      HIS  85  15.495   3.829  10.529
  692   2HB   HIS  85           HB3      HIS  85  14.623   4.955   9.496
  693    HD1  HIS  85           HD1      HIS  85  12.169   5.222   9.919
  694    HD2  HIS  85           HD2      HIS  85  13.770   1.915  11.858
  695    HE1  HIS  85           HE1      HIS  85  10.334   4.365  11.410
  696    HE2  HIS  85           HE2      HIS  85  11.295   2.305  12.499
  697    H    HIS  86           H        HIS  86  13.344   1.198   7.833
  698    HA   HIS  86           HA       HIS  86  11.562   3.015   6.371
  699   1HB   HIS  86           HB2      HIS  86  12.699   0.441   5.254
  700   2HB   HIS  86           HB3      HIS  86  11.481   1.444   4.476
  701    HD1  HIS  86           HD1      HIS  86  14.877   2.303   5.973
  702    HD2  HIS  86           HD2      HIS  86  12.703   2.734   2.460
  703    HE1  HIS  86           HE1      HIS  86  16.343   3.647   4.436
  704    HE2  HIS  86           HE2      HIS  86  14.972   3.963   2.347
  705    H    THR  87           H        THR  87   9.406   2.227   6.120
  706    HA   THR  87           HA       THR  87   8.674  -0.329   7.215
  707    HB   THR  87           HB       THR  87   7.843   2.160   8.715
  708    HG1  THR  87           HG1      THR  87   9.488  -0.037   9.498
  709   1HG2  THR  87          3HG2      THR  87   7.159  -0.747   9.143
  710   2HG2  THR  87          2HG2      THR  87   6.758   0.565  10.252
  711   3HG2  THR  87          1HG2      THR  87   6.049   0.529   8.635
  712    H    LEU  88           H        LEU  88   6.473  -0.862   6.915
  713    HA   LEU  88           HA       LEU  88   4.978   0.992   5.190
  714   1HB   LEU  88           HB2      LEU  88   5.846  -0.906   3.901
  715   2HB   LEU  88           HB3      LEU  88   5.063  -2.020   5.002
  716    HG   LEU  88           HG       LEU  88   2.861  -1.046   4.320
  717   1HD1  LEU  88          2HD1      LEU  88   3.675   1.120   3.562
  718   2HD1  LEU  88          1HD1      LEU  88   4.531   0.339   2.231
  719   3HD1  LEU  88          3HD1      LEU  88   2.770   0.297   2.289
  720   1HD2  LEU  88          1HD2      LEU  88   3.950  -3.105   3.303
  721   2HD2  LEU  88          3HD2      LEU  88   2.672  -2.329   2.369
  722   3HD2  LEU  88          2HD2      LEU  88   4.360  -2.071   1.936
  723    H    GLU  89           H        GLU  89   4.182   1.643   7.333
  724    HA   GLU  89           HA       GLU  89   2.557  -0.106   8.882
  725   1HB   GLU  89           HB2      GLU  89   1.709   2.189   9.779
  726   2HB   GLU  89           HB3      GLU  89   3.366   1.691  10.104
  727   1HG   GLU  89           HG2      GLU  89   4.200   3.072   8.357
  728   2HG   GLU  89           HG3      GLU  89   2.566   3.429   7.799
  729    H    LEU  90           H        LEU  90   0.842  -1.004   7.967
  730    HA   LEU  90           HA       LEU  90  -0.946   0.677   6.354
  731   1HB   LEU  90           HB2      LEU  90  -0.846  -2.335   6.489
  732   2HB   LEU  90           HB3      LEU  90  -1.812  -1.370   5.388
  733    HG   LEU  90           HG       LEU  90   1.170  -1.769   5.385
  734   1HD1  LEU  90          1HD1      LEU  90  -0.198  -3.431   4.224
  735   2HD1  LEU  90          3HD1      LEU  90  -0.946  -2.150   3.272
  736   3HD1  LEU  90          2HD1      LEU  90   0.775  -2.489   3.095
  737   1HD2  LEU  90          1HD2      LEU  90  -0.428   0.331   3.934
  738   2HD2  LEU  90          3HD2      LEU  90   0.888   0.587   5.083
  739   3HD2  LEU  90          2HD2      LEU  90   1.219  -0.136   3.506
  740    H    VAL  91           H        VAL  91  -3.221   0.470   6.624
  741    HA   VAL  91           HA       VAL  91  -4.139  -0.753   9.113
  742    HB   VAL  91           HB       VAL  91  -5.519   1.598   9.209
  743   1HG1  VAL  91          2HG1      VAL  91  -2.990   0.780  10.613
  744   2HG1  VAL  91          1HG1      VAL  91  -3.951   2.182  11.085
  745   3HG1  VAL  91          3HG1      VAL  91  -4.657   0.566  11.151
  746   1HG2  VAL  91          3HG2      VAL  91  -2.702   2.289   8.376
  747   2HG2  VAL  91          2HG2      VAL  91  -4.180   2.649   7.482
  748   3HG2  VAL  91          1HG2      VAL  91  -3.882   3.423   9.038
  749    H    TYR  92           H        TYR  92  -6.462  -0.841   9.287
  750    HA   TYR  92           HA       TYR  92  -7.808  -0.948   6.679
  751   1HB   TYR  92           HB2      TYR  92  -7.621  -2.983   8.291
  752   2HB   TYR  92           HB3      TYR  92  -8.855  -2.157   9.232
  753    HD1  TYR  92           HD1      TYR  92 -10.698  -3.576   9.008
  754    HD2  TYR  92           HD2      TYR  92  -8.582  -2.355   5.525
  755    HE1  TYR  92           HE1      TYR  92 -12.440  -4.591   7.601
  756    HE2  TYR  92           HE2      TYR  92 -10.320  -3.365   4.108
  757    HH   TYR  92           HH       TYR  92 -12.046  -5.114   4.277
  758    H    THR  93           H        THR  93  -8.362   1.240   6.521
  759    HA   THR  93           HA       THR  93 -10.203   2.264   8.591
  760    HB   THR  93           HB       THR  93  -8.116   3.515   8.562
  761    HG1  THR  93           HG1      THR  93 -10.459   4.532   8.463
  762   1HG2  THR  93          1HG2      THR  93  -8.675   3.561   5.636
  763   2HG2  THR  93          3HG2      THR  93  -7.859   4.949   6.361
  764   3HG2  THR  93          2HG2      THR  93  -7.146   3.340   6.492
  765    H    ARG  94           H        ARG  94 -11.640   4.030   7.794
  766    HA   ARG  94           HA       ARG  94 -12.792   3.287   5.202
  767   1HB   ARG  94           HB2      ARG  94 -13.972   4.878   7.487
  768   2HB   ARG  94           HB3      ARG  94 -14.810   4.474   5.995
  769   1HG   ARG  94           HG2      ARG  94 -14.598   2.088   6.543
  770   2HG   ARG  94           HG3      ARG  94 -13.817   2.527   8.063
  771   1HD   ARG  94           HD2      ARG  94 -16.183   2.043   8.401
  772   2HD   ARG  94           HD3      ARG  94 -15.820   3.731   8.759
  773    HE   ARG  94           HE       ARG  94 -16.644   3.536   6.087
  774   1HH1  ARG  94          1HH1      ARG  94 -17.933   3.194   9.306
  775   2HH1  ARG  94          2HH1      ARG  94 -19.540   3.653   8.850
  776   1HH2  ARG  94          1HH2      ARG  94 -18.757   4.139   5.478
  777   2HH2  ARG  94          2HH2      ARG  94 -20.009   4.190   6.675
  778    HA   PRO  95           HA       PRO  95 -10.469   7.023   3.869
  779   1HB   PRO  95           HB2      PRO  95 -11.602   6.711   1.300
  780   2HB   PRO  95           HB3      PRO  95  -9.997   6.196   1.819
  781   1HG   PRO  95           HG2      PRO  95 -12.513   4.620   1.599
  782   2HG   PRO  95           HG3      PRO  95 -10.838   4.111   1.319
  783   1HD   PRO  95           HD2      PRO  95 -12.127   3.381   3.532
  784   2HD   PRO  95           HD3      PRO  95 -10.411   3.837   3.591
  785    H    PHE  96           H        PHE  96 -13.855   6.208   3.324
  786    HA   PHE  96           HA       PHE  96 -14.707   8.774   2.543
  787   1HB   PHE  96           HB2      PHE  96 -16.213   6.449   3.742
  788   2HB   PHE  96           HB3      PHE  96 -16.957   7.861   3.021
  789    HD1  PHE  96           HD1      PHE  96 -14.823   4.941   2.308
  790    HD2  PHE  96           HD2      PHE  96 -17.248   8.042   0.692
  791    HE1  PHE  96           HE1      PHE  96 -14.719   3.864   0.100
  792    HE2  PHE  96           HE2      PHE  96 -17.152   6.968  -1.520
  793    HZ   PHE  96           HZ       PHE  96 -15.886   4.877  -1.819
  794    H    GLU  97           H        GLU  97 -14.406   7.176   5.668
  795    HA   GLU  97           HA       GLU  97 -15.481   9.566   6.993
  796   1HB   GLU  97           HB2      GLU  97 -14.944   6.810   8.117
  797   2HB   GLU  97           HB3      GLU  97 -15.644   8.155   9.006
  798   1HG   GLU  97           HG2      GLU  97 -16.861   6.807   6.605
  799   2HG   GLU  97           HG3      GLU  97 -17.344   6.572   8.284
  800    H    GLY  98           H        GLY  98 -13.137   7.195   8.181
  801   1HA   GLY  98           HA3      GLY  98 -11.578   9.143   9.514
  802   2HA   GLY  98           HA2      GLY  98 -10.805   8.719   7.992
  803    H    ILE  99           H        ILE  99  -9.255   8.175   9.930
  804    HA   ILE  99           HA       ILE  99  -9.396   5.268  10.171
  805    HB   ILE  99           HB       ILE  99  -7.024   6.956  10.890
  806   1HG1  ILE  99          2HG1      ILE  99  -7.604   5.811   8.154
  807   2HG1  ILE  99          3HG1      ILE  99  -7.883   7.500   8.573
  808   1HG2  ILE  99          3HG2      ILE  99  -7.530   4.081  10.217
  809   2HG2  ILE  99          2HG2      ILE  99  -5.923   4.782  10.009
  810   3HG2  ILE  99          1HG2      ILE  99  -6.682   4.770  11.601
  811   1HD1  ILE  99          3HD1      ILE  99  -5.475   7.702   9.108
  812   2HD1  ILE  99          2HD1      ILE  99  -5.249   6.043   8.552
  813   3HD1  ILE  99          1HD1      ILE  99  -5.789   7.285   7.422
  814    H    LYS 100           H        LYS 100  -9.030   4.187  12.110
  815    HA   LYS 100           HA       LYS 100  -9.231   5.775  14.570
  816   1HB   LYS 100           HB2      LYS 100 -10.877   3.324  13.943
  817   2HB   LYS 100           HB3      LYS 100 -10.943   4.267  15.413
  818   1HG   LYS 100           HG2      LYS 100 -11.868   6.142  14.257
  819   2HG   LYS 100           HG3      LYS 100 -11.605   5.364  12.695
  820   1HD   LYS 100           HD2      LYS 100 -13.122   3.557  14.215
  821   2HD   LYS 100           HD3      LYS 100 -13.843   5.145  14.484
  822   1HE   LYS 100           HE2      LYS 100 -13.998   5.488  12.067
  823   2HE   LYS 100           HE3      LYS 100 -13.262   3.908  11.795
  824   1HZ   LYS 100           HZ2      LYS 100 -15.151   2.877  12.895
  825   2HZ   LYS 100           HZ1      LYS 100 -15.857   4.392  13.158
  826   3HZ   LYS 100           HZ3      LYS 100 -15.662   3.810  11.580
  827    HA   PRO 101           HA       PRO 101  -6.212   3.072  16.299
  828   1HB   PRO 101           HB2      PRO 101  -7.236   2.513  18.778
  829   2HB   PRO 101           HB3      PRO 101  -6.460   4.041  18.356
  830   1HG   PRO 101           HG2      PRO 101  -9.370   3.373  18.511
  831   2HG   PRO 101           HG3      PRO 101  -8.527   4.840  19.041
  832   1HD   PRO 101           HD2      PRO 101  -9.920   4.741  16.739
  833   2HD   PRO 101           HD3      PRO 101  -8.451   5.724  16.916
  834    H    GLU 102           H        GLU 102  -9.555   2.006  16.641
  835    HA   GLU 102           HA       GLU 102  -9.014  -0.710  17.155
  836   1HB   GLU 102           HB2      GLU 102 -11.378  -1.070  16.439
  837   2HB   GLU 102           HB3      GLU 102 -11.175   0.162  17.680
  838   1HG   GLU 102           HG2      GLU 102 -11.310   1.894  15.979
  839   2HG   GLU 102           HG3      GLU 102 -11.520   0.661  14.741
  840    H    ASN 103           H        ASN 103  -9.019   1.166  14.258
  841    HA   ASN 103           HA       ASN 103  -9.544  -0.646  12.266
  842   1HB   ASN 103           HB2      ASN 103  -7.462   1.531  12.366
  843   2HB   ASN 103           HB3      ASN 103  -7.839   0.632  10.902
  844   1HD2  ASN 103          1HD2      ASN 103 -10.428   1.199  13.078
  845   2HD2  ASN 103          2HD2      ASN 103 -11.193   2.461  12.183
  846    H    GLU 104           H        GLU 104  -8.558  -2.350  11.331
  847    HA   GLU 104           HA       GLU 104  -6.738  -3.909  12.675
  848   1HB   GLU 104           HB2      GLU 104  -8.258  -4.368  10.584
  849   2HB   GLU 104           HB3      GLU 104  -6.806  -3.960   9.685
  850   1HG   GLU 104           HG2      GLU 104  -5.618  -5.766  10.566
  851   2HG   GLU 104           HG3      GLU 104  -6.796  -6.019  11.852
  852    H    ARG 105           H        ARG 105  -4.523  -4.438  12.215
  853    HA   ARG 105           HA       ARG 105  -3.007  -2.150  11.139
  854   1HB   ARG 105           HB2      ARG 105  -2.858  -2.414  13.622
  855   2HB   ARG 105           HB3      ARG 105  -2.143  -3.997  13.371
  856   1HG   ARG 105           HG2      ARG 105  -0.173  -2.951  13.460
  857   2HG   ARG 105           HG3      ARG 105  -0.565  -2.378  11.831
  858   1HD   ARG 105           HD2      ARG 105   0.087  -0.524  13.254
  859   2HD   ARG 105           HD3      ARG 105  -1.599  -0.383  12.760
  860    HE   ARG 105           HE       ARG 105  -1.730  -1.649  15.158
  861   1HH1  ARG 105          1HH1      ARG 105  -0.259   1.311  14.052
  862   2HH1  ARG 105          2HH1      ARG 105  -0.433   2.117  15.575
  863   1HH2  ARG 105          1HH2      ARG 105  -1.962  -0.594  17.167
  864   2HH2  ARG 105          2HH2      ARG 105  -1.400   1.034  17.345
  865    H    TYR 106           H        TYR 106  -0.941  -2.630  10.230
  866    HA   TYR 106           HA       TYR 106   0.054  -5.230   9.811
  867   1HB   TYR 106           HB2      TYR 106  -1.895  -5.372   8.287
  868   2HB   TYR 106           HB3      TYR 106  -1.275  -3.981   7.394
  869    HD1  TYR 106           HD1      TYR 106   0.504  -4.231   5.812
  870    HD2  TYR 106           HD2      TYR 106  -0.686  -7.525   8.223
  871    HE1  TYR 106           HE1      TYR 106   1.830  -5.737   4.396
  872    HE2  TYR 106           HE2      TYR 106   0.640  -9.043   6.814
  873    HH   TYR 106           HH       TYR 106   1.545  -9.114   4.528
  874    H    THR 107           H        THR 107   1.577  -3.692  10.787
  875    HA   THR 107           HA       THR 107   2.821  -1.791   8.973
  876    HB   THR 107           HB       THR 107   3.613  -2.444  11.813
  877    HG1  THR 107           HG1      THR 107   1.328  -1.526  11.166
  878   1HG2  THR 107          1HG2      THR 107   5.270  -1.207  10.484
  879   2HG2  THR 107          3HG2      THR 107   4.057   0.021  10.130
  880   3HG2  THR 107          2HG2      THR 107   4.604  -0.224  11.787
  881    H    LEU 108           H        LEU 108   4.059  -2.805   7.486
  882    HA   LEU 108           HA       LEU 108   5.758  -5.029   8.254
  883   1HB   LEU 108           HB2      LEU 108   4.626  -5.211   6.144
  884   2HB   LEU 108           HB3      LEU 108   5.260  -3.669   5.611
  885    HG   LEU 108           HG       LEU 108   7.500  -4.583   5.463
  886   1HD1  LEU 108          2HD1      LEU 108   6.293  -7.156   6.465
  887   2HD1  LEU 108          1HD1      LEU 108   7.948  -6.946   5.892
  888   3HD1  LEU 108          3HD1      LEU 108   7.408  -6.116   7.352
  889   1HD2  LEU 108          3HD2      LEU 108   6.044  -4.849   3.531
  890   2HD2  LEU 108          2HD2      LEU 108   7.165  -6.203   3.676
  891   3HD2  LEU 108          1HD2      LEU 108   5.481  -6.398   4.160
  892    H    HIS 109           H        HIS 109   7.355  -4.209   9.550
  893    HA   HIS 109           HA       HIS 109   8.859  -1.878   8.808
  894   1HB   HIS 109           HB2      HIS 109   8.957  -3.842  11.036
  895   2HB   HIS 109           HB3      HIS 109  10.367  -2.842  10.728
  896    HD1  HIS 109           HD1      HIS 109  10.296  -0.486  11.600
  897    HD2  HIS 109           HD2      HIS 109   6.584  -2.349  11.694
  898    HE1  HIS 109           HE1      HIS 109   8.790   1.083  12.863
  899    HE2  HIS 109           HE2      HIS 109   6.528  -0.027  12.834
  900    H    LEU 110           H        LEU 110  11.016  -1.799   8.185
  901    HA   LEU 110           HA       LEU 110  12.307  -4.250   7.296
  902   1HB   LEU 110           HB2      LEU 110  11.662  -1.959   5.439
  903   2HB   LEU 110           HB3      LEU 110  12.723  -3.294   5.041
  904    HG   LEU 110           HG       LEU 110   9.778  -3.557   5.669
  905   1HD1  LEU 110          2HD1      LEU 110  11.244  -3.582   3.033
  906   2HD1  LEU 110          1HD1      LEU 110   9.544  -3.999   3.257
  907   3HD1  LEU 110          3HD1      LEU 110  10.101  -2.359   3.590
  908   1HD2  LEU 110          1HD2      LEU 110  11.168  -5.541   6.201
  909   2HD2  LEU 110          3HD2      LEU 110   9.998  -5.826   4.913
  910   3HD2  LEU 110          2HD2      LEU 110  11.699  -5.575   4.519
  911    H    ASN 111           H        ASN 111  14.204  -4.051   8.345
  912    HA   ASN 111           HA       ASN 111  15.497  -1.474   8.615
  913   1HB   ASN 111           HB2      ASN 111  15.605  -3.054  10.486
  914   2HB   ASN 111           HB3      ASN 111  16.392  -4.244   9.456
  915   1HD2  ASN 111          1HD2      ASN 111  18.210  -4.367  10.735
  916   2HD2  ASN 111          2HD2      ASN 111  19.373  -3.092  10.827
  917    H    VAL 112           H        VAL 112  15.495  -1.318   6.229
  918    HA   VAL 112           HA       VAL 112  16.784  -2.885   4.415
  919    HB   VAL 112           HB       VAL 112  17.137   0.099   4.319
  920   1HG1  VAL 112          2HG1      VAL 112  18.126  -1.223   2.530
  921   2HG1  VAL 112          1HG1      VAL 112  16.565  -1.985   2.223
  922   3HG1  VAL 112          3HG1      VAL 112  16.775  -0.260   1.926
  923   1HG2  VAL 112          2HG2      VAL 112  14.596  -1.462   3.912
  924   2HG2  VAL 112          1HG2      VAL 112  14.876  -0.120   5.019
  925   3HG2  VAL 112          3HG2      VAL 112  14.849   0.163   3.280
  926    H    LYS 113           H        LYS 113  18.849  -3.152   3.645
  927    HA   LYS 113           HA       LYS 113  20.979  -2.611   5.516
  928   1HB   LYS 113           HB2      LYS 113  20.954  -4.050   2.857
  929   2HB   LYS 113           HB3      LYS 113  22.346  -3.951   3.929
  930   1HG   LYS 113           HG2      LYS 113  19.709  -5.159   4.718
  931   2HG   LYS 113           HG3      LYS 113  21.068  -6.081   4.072
  932   1HD   LYS 113           HD2      LYS 113  22.462  -5.359   5.936
  933   2HD   LYS 113           HD3      LYS 113  21.130  -4.391   6.572
  934   1HE   LYS 113           HE2      LYS 113  21.309  -6.495   7.771
  935   2HE   LYS 113           HE3      LYS 113  19.799  -6.420   6.865
  936   1HZ   LYS 113           HZ2      LYS 113  22.251  -7.863   6.015
  937   2HZ   LYS 113           HZ1      LYS 113  20.854  -8.579   6.643
  938   3HZ   LYS 113           HZ3      LYS 113  20.802  -7.791   5.147

  No H/Q in entry =         938
  Start of MODEL   30
    1    H1   GLY  -2           HT2      GLY  -2  -5.870 -19.530   1.037
    2    H2   GLY  -2           HT1      GLY  -2  -6.480 -18.158   0.259
    3    H3   GLY  -2           HT3      GLY  -2  -4.808 -18.399   0.364
    4   1HA   GLY  -2           HA2      GLY  -2  -5.510 -16.729   1.950
    5   2HA   GLY  -2           HA3      GLY  -2  -4.878 -18.154   2.758
    6    H    SER  -1           H        SER  -1  -6.387 -16.523   4.237
    7    HA   SER  -1           HA       SER  -1  -9.115 -17.585   4.233
    8   1HB   SER  -1           HB2      SER  -1  -7.263 -17.676   6.628
    9   2HB   SER  -1           HB3      SER  -1  -8.981 -18.074   6.655
   10    HG   SER  -1           HG       SER  -1  -7.417 -19.869   6.406
   11    H    HIS   0           H        HIS   0 -10.421 -15.891   4.252
   12    HA   HIS   0           HA       HIS   0  -9.525 -13.386   5.465
   13   1HB   HIS   0           HB2      HIS   0 -10.376 -13.295   3.161
   14   2HB   HIS   0           HB3      HIS   0 -11.915 -13.960   3.700
   15    HD1  HIS   0           HD1      HIS   0 -13.621 -12.346   4.599
   16    HD2  HIS   0           HD2      HIS   0  -9.876 -10.615   4.098
   17    HE1  HIS   0           HE1      HIS   0 -13.964  -9.883   4.968
   18    HE2  HIS   0           HE2      HIS   0 -11.702  -8.846   4.575
   19    H    MET   1           H        MET   1 -10.341 -12.609   7.307
   20    HA   MET   1           HA       MET   1 -12.616 -14.040   8.509
   21   1HB   MET   1           HB2      MET   1 -10.415 -12.473   9.867
   22   2HB   MET   1           HB3      MET   1 -11.736 -13.296  10.685
   23   1HG   MET   1           HG2      MET   1  -9.592 -14.607   9.029
   24   2HG   MET   1           HG3      MET   1  -9.681 -14.588  10.789
   25   1HE   MET   1           HE3      MET   1 -12.804 -14.964  11.281
   26   2HE   MET   1           HE2      MET   1 -12.902 -16.717  11.457
   27   3HE   MET   1           HE1      MET   1 -11.566 -15.830  12.190
   28    H    ILE   2           H        ILE   2 -13.982 -12.714   9.983
   29    HA   ILE   2           HA       ILE   2 -14.579 -10.156   8.693
   30    HB   ILE   2           HB       ILE   2 -16.429 -11.742   8.889
   31   1HG1  ILE   2          2HG1      ILE   2 -16.803  -9.390  10.759
   32   2HG1  ILE   2          3HG1      ILE   2 -16.854  -9.290   9.002
   33   1HG2  ILE   2          1HG2      ILE   2 -15.690 -12.929  10.882
   34   2HG2  ILE   2          3HG2      ILE   2 -16.012 -11.501  11.866
   35   3HG2  ILE   2          2HG2      ILE   2 -17.344 -12.346  11.077
   36   1HD1  ILE   2          2HD1      ILE   2 -18.787 -10.780   8.977
   37   2HD1  ILE   2          1HD1      ILE   2 -18.739 -10.865  10.738
   38   3HD1  ILE   2          3HD1      ILE   2 -19.085  -9.332   9.938
   39    H    ALA   3           H        ALA   3 -13.583 -11.523  11.747
   40    HA   ALA   3           HA       ALA   3 -12.808  -8.918  12.706
   41   1HB   ALA   3           HB1      ALA   3 -14.890 -10.477  14.235
   42   2HB   ALA   3           HB3      ALA   3 -14.104  -8.992  14.770
   43   3HB   ALA   3           HB2      ALA   3 -15.165  -8.970  13.362
   44    HA   PRO   4           HA       PRO   4  -9.710 -11.401  14.650
   45   1HB   PRO   4           HB2      PRO   4  -8.882  -9.760  16.635
   46   2HB   PRO   4           HB3      PRO   4  -8.525  -9.447  14.933
   47   1HG   PRO   4           HG2      PRO   4 -10.660  -8.265  16.671
   48   2HG   PRO   4           HG3      PRO   4  -9.595  -7.459  15.504
   49   1HD   PRO   4           HD2      PRO   4 -12.163  -8.128  14.934
   50   2HD   PRO   4           HD3      PRO   4 -10.884  -8.088  13.704
   51    H    LEU   5           H        LEU   5  -9.890 -13.095  15.964
   52    HA   LEU   5           HA       LEU   5 -11.451 -12.801  18.445
   53   1HB   LEU   5           HB2      LEU   5 -12.687 -14.111  16.782
   54   2HB   LEU   5           HB3      LEU   5 -11.327 -15.206  16.622
   55    HG   LEU   5           HG       LEU   5 -11.627 -15.848  19.014
   56   1HD1  LEU   5          3HD1      LEU   5 -12.746 -13.826  19.788
   57   2HD1  LEU   5          2HD1      LEU   5 -14.145 -14.206  18.784
   58   3HD1  LEU   5          1HD1      LEU   5 -13.715 -15.258  20.133
   59   1HD2  LEU   5          3HD2      LEU   5 -14.028 -16.239  17.232
   60   2HD2  LEU   5          2HD2      LEU   5 -12.557 -17.213  17.226
   61   3HD2  LEU   5          1HD2      LEU   5 -13.615 -17.221  18.637
   62    H    SER   6           H        SER   6  -8.668 -14.141  16.837
   63    HA   SER   6           HA       SER   6  -7.557 -14.861  19.464
   64   1HB   SER   6           HB2      SER   6  -7.245 -16.453  16.905
   65   2HB   SER   6           HB3      SER   6  -6.432 -16.803  18.431
   66    HG   SER   6           HG       SER   6  -8.171 -17.766  19.083
   67    H    VAL   7           H        VAL   7  -6.610 -14.496  16.041
   68    HA   VAL   7           HA       VAL   7  -4.756 -12.406  16.649
   69    HB   VAL   7           HB       VAL   7  -3.367 -14.221  17.428
   70   1HG1  VAL   7          1HG1      VAL   7  -4.455 -16.063  16.268
   71   2HG1  VAL   7          3HG1      VAL   7  -3.817 -15.488  14.728
   72   3HG1  VAL   7          2HG1      VAL   7  -2.716 -16.080  15.972
   73   1HG2  VAL   7          1HG2      VAL   7  -2.262 -12.419  16.205
   74   2HG2  VAL   7          3HG2      VAL   7  -1.433 -13.956  15.962
   75   3HG2  VAL   7          2HG2      VAL   7  -2.473 -13.307  14.695
   76    H    LYS   8           H        LYS   8  -4.508 -11.157  14.901
   77    HA   LYS   8           HA       LYS   8  -5.501 -12.158  12.350
   78   1HB   LYS   8           HB2      LYS   8  -5.431  -9.694  11.736
   79   2HB   LYS   8           HB3      LYS   8  -6.587 -10.158  12.970
   80   1HG   LYS   8           HG2      LYS   8  -3.892  -9.216  13.806
   81   2HG   LYS   8           HG3      LYS   8  -5.087  -8.038  13.258
   82   1HD   LYS   8           HD2      LYS   8  -6.665  -8.848  14.938
   83   2HD   LYS   8           HD3      LYS   8  -5.484 -10.042  15.479
   84   1HE   LYS   8           HE2      LYS   8  -3.952  -8.239  16.105
   85   2HE   LYS   8           HE3      LYS   8  -5.138  -7.049  15.573
   86   1HZ   LYS   8           HZ1      LYS   8  -6.663  -7.869  17.260
   87   2HZ   LYS   8           HZ3      LYS   8  -5.520  -9.007  17.773
   88   3HZ   LYS   8           HZ2      LYS   8  -5.213  -7.354  17.963
   89    H    ASP   9           H        ASP   9  -2.658 -11.301  13.955
   90    HA   ASP   9           HA       ASP   9  -0.473 -11.062  13.366
   91   1HB   ASP   9           HB2      ASP   9  -0.580 -13.356  12.853
   92   2HB   ASP   9           HB3      ASP   9  -1.466 -13.072  11.360
   93    H    ASN  10           H        ASN  10   0.005  -9.061  12.743
   94    HA   ASN  10           HA       ASN  10  -0.192  -8.440   9.889
   95   1HB   ASN  10           HB2      ASN  10  -0.447  -5.988  11.011
   96   2HB   ASN  10           HB3      ASN  10  -1.798  -6.984  10.481
   97   1HD2  ASN  10          1HD2      ASN  10  -0.108  -5.639  13.148
   98   2HD2  ASN  10          2HD2      ASN  10  -1.199  -6.153  14.384
   99    H    ASP  11           H        ASP  11   0.972  -6.516  12.574
  100    HA   ASP  11           HA       ASP  11   3.193  -5.466  11.398
  101   1HB   ASP  11           HB2      ASP  11   3.137  -6.205  14.317
  102   2HB   ASP  11           HB3      ASP  11   3.932  -4.834  13.553
  103    H    LYS  12           H        LYS  12   4.444  -6.815  10.214
  104    HA   LYS  12           HA       LYS  12   5.735  -9.065  11.571
  105   1HB   LYS  12           HB2      LYS  12   6.471  -9.718   9.278
  106   2HB   LYS  12           HB3      LYS  12   4.727  -9.680   9.493
  107   1HG   LYS  12           HG2      LYS  12   4.559  -7.604   8.320
  108   2HG   LYS  12           HG3      LYS  12   6.317  -7.459   8.239
  109   1HD   LYS  12           HD2      LYS  12   4.756  -9.721   6.999
  110   2HD   LYS  12           HD3      LYS  12   5.236  -8.264   6.127
  111   1HE   LYS  12           HE2      LYS  12   7.593  -8.761   6.639
  112   2HE   LYS  12           HE3      LYS  12   7.089 -10.241   7.453
  113   1HZ   LYS  12           HZ3      LYS  12   6.661  -9.621   4.580
  114   2HZ   LYS  12           HZ2      LYS  12   7.825 -10.682   5.198
  115   3HZ   LYS  12           HZ1      LYS  12   6.180 -11.042   5.363
  116    H    TRP  13           H        TRP  13   6.876  -7.323  12.769
  117    HA   TRP  13           HA       TRP  13   8.713  -5.551  11.810
  118   1HB   TRP  13           HB2      TRP  13   9.296  -7.183  14.255
  119   2HB   TRP  13           HB3      TRP  13   9.541  -5.464  13.982
  120    HD1  TRP  13           HD1      TRP  13   6.721  -7.975  14.734
  121    HE1  TRP  13           HE1      TRP  13   4.728  -6.701  15.743
  122    HE3  TRP  13           HE3      TRP  13   8.489  -3.196  14.280
  123    HZ2  TRP  13           HZ2      TRP  13   3.988  -4.028  16.270
  124    HZ3  TRP  13           HZ3      TRP  13   7.081  -1.342  15.075
  125    HH2  TRP  13           HH2      TRP  13   4.884  -1.751  16.055
  126    H    VAL  14           H        VAL  14  10.156  -6.002  10.193
  127    HA   VAL  14           HA       VAL  14  12.161  -8.063  10.799
  128    HB   VAL  14           HB       VAL  14  12.038  -9.069   8.565
  129   1HG1  VAL  14          1HG1      VAL  14   9.443  -9.196  10.095
  130   2HG1  VAL  14          3HG1      VAL  14   9.986 -10.372   8.899
  131   3HG1  VAL  14          2HG1      VAL  14  10.887 -10.163  10.401
  132   1HG2  VAL  14          2HG2      VAL  14   9.560  -7.382   8.240
  133   2HG2  VAL  14          1HG2      VAL  14  11.066  -7.226   7.334
  134   3HG2  VAL  14          3HG2      VAL  14  10.068  -8.667   7.145
  135    H    ASP  15           H        ASP  15  13.676  -8.166   8.697
  136    HA   ASP  15           HA       ASP  15  14.598  -5.408   8.305
  137   1HB   ASP  15           HB2      ASP  15  16.787  -6.306   7.987
  138   2HB   ASP  15           HB3      ASP  15  16.099  -7.122   9.390
  139    H    THR  16           H        THR  16  16.177  -5.623   6.088
  140    HA   THR  16           HA       THR  16  15.011  -7.022   3.927
  141    HB   THR  16           HB       THR  16  13.241  -5.230   4.519
  142    HG1  THR  16           HG1      THR  16  14.105  -6.255   2.181
  143   1HG2  THR  16          2HG2      THR  16  14.784  -3.342   4.711
  144   2HG2  THR  16          1HG2      THR  16  15.223  -3.527   3.013
  145   3HG2  THR  16          3HG2      THR  16  13.581  -3.061   3.453
  146    H    HIS  17           H        HIS  17  15.519  -5.638   1.770
  147    HA   HIS  17           HA       HIS  17  18.339  -4.813   1.981
  148   1HB   HIS  17           HB2      HIS  17  16.831  -6.374  -0.093
  149   2HB   HIS  17           HB3      HIS  17  18.282  -5.490  -0.550
  150    HD1  HIS  17           HD1      HIS  17  17.138  -8.604   1.006
  151    HD2  HIS  17           HD2      HIS  17  20.668  -6.420   0.806
  152    HE1  HIS  17           HE1      HIS  17  18.950 -10.184   1.745
  153    HE2  HIS  17           HE2      HIS  17  21.066  -8.818   1.689
  154    H    VAL  18           H        VAL  18  18.392  -3.845  -0.776
  155    HA   VAL  18           HA       VAL  18  16.868  -1.365  -0.350
  156    HB   VAL  18           HB       VAL  18  19.235  -1.780  -2.179
  157   1HG1  VAL  18          2HG1      VAL  18  17.760   0.707  -1.308
  158   2HG1  VAL  18          1HG1      VAL  18  19.275   0.699  -2.213
  159   3HG1  VAL  18          3HG1      VAL  18  17.816   0.020  -2.932
  160   1HG2  VAL  18          1HG2      VAL  18  19.106  -0.526   0.561
  161   2HG2  VAL  18          3HG2      VAL  18  19.899  -2.045   0.144
  162   3HG2  VAL  18          2HG2      VAL  18  20.513  -0.523  -0.503
  163    H    GLY  19           H        GLY  19  15.224  -0.886  -1.600
  164   1HA   GLY  19           HA3      GLY  19  15.086  -1.294  -4.380
  165   2HA   GLY  19           HA2      GLY  19  13.742  -0.876  -3.337
  166    H    LYS  20           H        LYS  20  14.624  -3.536  -1.868
  167    HA   LYS  20           HA       LYS  20  13.985  -5.627  -3.643
  168   1HB   LYS  20           HB2      LYS  20  14.872  -5.489  -1.058
  169   2HB   LYS  20           HB3      LYS  20  13.227  -6.045  -0.832
  170   1HG   LYS  20           HG2      LYS  20  14.400  -8.015  -0.992
  171   2HG   LYS  20           HG3      LYS  20  13.815  -7.787  -2.645
  172   1HD   LYS  20           HD2      LYS  20  15.907  -7.049  -3.399
  173   2HD   LYS  20           HD3      LYS  20  16.471  -6.750  -1.760
  174   1HE   LYS  20           HE2      LYS  20  17.511  -8.752  -2.703
  175   2HE   LYS  20           HE3      LYS  20  16.495  -9.150  -1.317
  176   1HZ   LYS  20           HZ3      LYS  20  14.747  -9.831  -2.842
  177   2HZ   LYS  20           HZ2      LYS  20  15.724  -9.452  -4.170
  178   3HZ   LYS  20           HZ1      LYS  20  16.165 -10.709  -3.128
  179    H    THR  21           H        THR  21  12.198  -4.845  -4.804
  180    HA   THR  21           HA       THR  21   9.819  -3.861  -3.895
  181    HB   THR  21           HB       THR  21   9.926  -5.855  -6.148
  182    HG1  THR  21           HG1      THR  21  10.734  -4.226  -7.440
  183   1HG2  THR  21          2HG2      THR  21   7.722  -4.982  -5.517
  184   2HG2  THR  21          1HG2      THR  21   8.319  -3.335  -5.712
  185   3HG2  THR  21          3HG2      THR  21   8.209  -4.403  -7.111
  186    H    THR  22           H        THR  22   8.803  -4.661  -2.160
  187    HA   THR  22           HA       THR  22   8.278  -7.539  -2.005
  188    HB   THR  22           HB       THR  22   7.949  -5.326   0.030
  189    HG1  THR  22           HG1      THR  22   9.998  -6.827  -0.628
  190   1HG2  THR  22          1HG2      THR  22   6.136  -6.984   0.272
  191   2HG2  THR  22          3HG2      THR  22   7.343  -8.265   0.378
  192   3HG2  THR  22          2HG2      THR  22   7.260  -7.024   1.630
  193    H    GLU  23           H        GLU  23   6.622  -8.004  -3.300
  194    HA   GLU  23           HA       GLU  23   4.294  -6.331  -3.502
  195   1HB   GLU  23           HB2      GLU  23   5.304  -7.631  -5.400
  196   2HB   GLU  23           HB3      GLU  23   4.749  -9.100  -4.608
  197   1HG   GLU  23           HG2      GLU  23   2.444  -8.390  -4.814
  198   2HG   GLU  23           HG3      GLU  23   2.971  -6.848  -5.493
  199    H    ILE  24           H        ILE  24   2.445  -6.550  -2.432
  200    HA   ILE  24           HA       ILE  24   1.906  -9.073  -1.043
  201    HB   ILE  24           HB       ILE  24   1.565  -6.353   0.189
  202   1HG1  ILE  24          2HG1      ILE  24   3.544  -8.570   0.731
  203   2HG1  ILE  24          3HG1      ILE  24   3.908  -6.965   0.114
  204   1HG2  ILE  24          1HG2      ILE  24  -0.160  -7.979   0.839
  205   2HG2  ILE  24          3HG2      ILE  24   1.104  -9.093   1.359
  206   3HG2  ILE  24          2HG2      ILE  24   0.889  -7.553   2.191
  207   1HD1  ILE  24          2HD1      ILE  24   2.823  -7.570   2.850
  208   2HD1  ILE  24          1HD1      ILE  24   4.501  -7.197   2.463
  209   3HD1  ILE  24          3HD1      ILE  24   3.250  -5.977   2.225
  210    H    HIS  25           H        HIS  25   0.245  -9.721  -2.294
  211    HA   HIS  25           HA       HIS  25  -1.885  -7.919  -3.044
  212   1HB   HIS  25           HB2      HIS  25  -1.350 -10.841  -3.510
  213   2HB   HIS  25           HB3      HIS  25  -2.887 -10.116  -3.934
  214    HD1  HIS  25           HD1      HIS  25  -2.819 -10.024  -6.421
  215    HD2  HIS  25           HD2      HIS  25   0.694  -8.640  -4.692
  216    HE1  HIS  25           HE1      HIS  25  -1.431  -9.152  -8.328
  217    HE2  HIS  25           HE2      HIS  25   0.731  -8.411  -7.269
  218    H    LEU  26           H        LEU  26  -2.577  -7.329  -0.914
  219    HA   LEU  26           HA       LEU  26  -3.517  -9.284   0.942
  220   1HB   LEU  26           HB2      LEU  26  -4.059  -6.328   0.766
  221   2HB   LEU  26           HB3      LEU  26  -4.488  -7.341   2.129
  222    HG   LEU  26           HG       LEU  26  -1.651  -6.924   1.184
  223   1HD1  LEU  26          1HD1      LEU  26  -3.139  -5.558   3.423
  224   2HD1  LEU  26          3HD1      LEU  26  -1.414  -5.408   3.088
  225   3HD1  LEU  26          2HD1      LEU  26  -2.593  -4.803   1.924
  226   1HD2  LEU  26          1HD2      LEU  26  -2.116  -8.995   2.457
  227   2HD2  LEU  26          3HD2      LEU  26  -1.034  -7.887   3.300
  228   3HD2  LEU  26          2HD2      LEU  26  -2.726  -8.005   3.784
  229    H    LYS  27           H        LYS  27  -5.724  -9.500   1.678
  230    HA   LYS  27           HA       LYS  27  -7.678  -9.124  -0.495
  231   1HB   LYS  27           HB2      LYS  27  -7.851 -11.242   1.642
  232   2HB   LYS  27           HB3      LYS  27  -8.773 -11.133   0.151
  233   1HG   LYS  27           HG2      LYS  27  -6.725 -11.552  -1.135
  234   2HG   LYS  27           HG3      LYS  27  -5.827 -11.714   0.376
  235   1HD   LYS  27           HD2      LYS  27  -6.375 -13.910  -0.431
  236   2HD   LYS  27           HD3      LYS  27  -7.339 -13.581   1.010
  237   1HE   LYS  27           HE2      LYS  27  -9.252 -13.005  -0.397
  238   2HE   LYS  27           HE3      LYS  27  -8.290 -13.318  -1.841
  239   1HZ   LYS  27           HZ1      LYS  27  -8.990 -15.323   0.235
  240   2HZ   LYS  27           HZ3      LYS  27  -9.701 -15.197  -1.296
  241   3HZ   LYS  27           HZ2      LYS  27  -8.070 -15.622  -1.153
  242    H    GLY  28           H        GLY  28  -9.968  -8.989   0.307
  243   1HA   GLY  28           HA3      GLY  28 -10.152  -6.857   2.182
  244   2HA   GLY  28           HA2      GLY  28 -10.692  -8.361   2.906
  245    H    ASN  29           H        ASN  29 -12.186  -5.914   2.298
  246    HA   ASN  29           HA       ASN  29 -13.856  -6.319   0.049
  247   1HB   ASN  29           HB2      ASN  29 -14.624  -8.255   1.351
  248   2HB   ASN  29           HB3      ASN  29 -14.991  -7.201   2.713
  249   1HD2  ASN  29          1HD2      ASN  29 -16.796  -5.908   2.655
  250   2HD2  ASN  29          2HD2      ASN  29 -18.042  -6.096   1.473
  251    HA   PRO  30           HA       PRO  30 -13.911  -2.088   1.934
  252   1HB   PRO  30           HB2      PRO  30 -14.192  -0.854  -0.504
  253   2HB   PRO  30           HB3      PRO  30 -12.637  -1.231   0.246
  254   1HG   PRO  30           HG2      PRO  30 -14.148  -2.743  -1.851
  255   2HG   PRO  30           HG3      PRO  30 -12.412  -2.388  -1.760
  256   1HD   PRO  30           HD2      PRO  30 -13.374  -4.790  -1.080
  257   2HD   PRO  30           HD3      PRO  30 -12.029  -4.053  -0.186
  258    H    THR  31           H        THR  31 -16.094  -3.982   0.127
  259    HA   THR  31           HA       THR  31 -18.187  -2.279  -0.435
  260    HB   THR  31           HB       THR  31 -18.809  -4.965   0.718
  261    HG1  THR  31           HG1      THR  31 -18.195  -5.586  -1.645
  262   1HG2  THR  31          2HG2      THR  31 -19.707  -3.483  -1.751
  263   2HG2  THR  31          1HG2      THR  31 -20.323  -5.045  -1.213
  264   3HG2  THR  31          3HG2      THR  31 -20.596  -3.604  -0.233
  265    H    THR  32           H        THR  32 -16.997  -3.330   2.621
  266    HA   THR  32           HA       THR  32 -19.383  -2.770   4.117
  267    HB   THR  32           HB       THR  32 -17.891  -2.963   6.112
  268    HG1  THR  32           HG1      THR  32 -15.719  -3.872   5.469
  269   1HG2  THR  32          2HG2      THR  32 -17.694  -5.190   4.080
  270   2HG2  THR  32          1HG2      THR  32 -17.385  -5.360   5.808
  271   3HG2  THR  32          3HG2      THR  32 -19.000  -4.942   5.238
  272    H    GLY  33           H        GLY  33 -16.288  -1.113   3.559
  273   1HA   GLY  33           HA3      GLY  33 -17.354   1.264   4.916
  274   2HA   GLY  33           HA2      GLY  33 -16.861   1.404   3.237
  275    H    TYR  34           H        TYR  34 -14.608  -0.527   3.705
  276    HA   TYR  34           HA       TYR  34 -12.770   1.451   4.833
  277   1HB   TYR  34           HB2      TYR  34 -12.939  -1.439   5.676
  278   2HB   TYR  34           HB3      TYR  34 -11.528  -0.435   5.976
  279    HD1  TYR  34           HD1      TYR  34 -15.110  -0.870   6.771
  280    HD2  TYR  34           HD2      TYR  34 -11.481   1.124   7.778
  281    HE1  TYR  34           HE1      TYR  34 -16.127  -0.088   8.869
  282    HE2  TYR  34           HE2      TYR  34 -12.492   1.906   9.878
  283    HH   TYR  34           HH       TYR  34 -14.731   2.325  10.802
  284    H    MET  35           H        MET  35 -10.738   1.476   3.936
  285    HA   MET  35           HA       MET  35 -10.293  -0.289   1.645
  286   1HB   MET  35           HB2      MET  35 -10.390   1.819   0.710
  287   2HB   MET  35           HB3      MET  35  -9.777   2.602   2.159
  288   1HG   MET  35           HG2      MET  35  -7.543   1.529   1.617
  289   2HG   MET  35           HG3      MET  35  -8.242   1.140   0.057
  290   1HE   MET  35           HE3      MET  35  -7.405   4.079   2.524
  291   2HE   MET  35           HE2      MET  35  -7.834   5.481   1.545
  292   3HE   MET  35           HE1      MET  35  -9.091   4.376   2.098
  293    H    TRP  36           H        TRP  36  -8.133  -0.956   1.244
  294    HA   TRP  36           HA       TRP  36  -6.493  -1.122   3.675
  295   1HB   TRP  36           HB2      TRP  36  -7.161  -2.988   1.539
  296   2HB   TRP  36           HB3      TRP  36  -5.428  -2.871   1.810
  297    HD1  TRP  36           HD1      TRP  36  -8.264  -4.822   2.926
  298    HE1  TRP  36           HE1      TRP  36  -7.813  -5.955   5.194
  299    HE3  TRP  36           HE3      TRP  36  -4.147  -2.156   4.366
  300    HZ2  TRP  36           HZ2      TRP  36  -5.963  -5.745   7.308
  301    HZ3  TRP  36           HZ3      TRP  36  -3.099  -2.688   6.526
  302    HH2  TRP  36           HH2      TRP  36  -3.991  -4.443   7.966
  303    H    THR  37           H        THR  37  -5.010   0.486   3.682
  304    HA   THR  37           HA       THR  37  -3.142   0.634   1.479
  305    HB   THR  37           HB       THR  37  -5.050   2.125   0.798
  306    HG1  THR  37           HG1      THR  37  -3.066   2.587  -0.096
  307   1HG2  THR  37          1HG2      THR  37  -4.087   3.733   3.175
  308   2HG2  THR  37          3HG2      THR  37  -5.195   4.323   1.936
  309   3HG2  THR  37          2HG2      THR  37  -5.673   2.986   2.982
  310    H    ARG  38           H        ARG  38  -1.882   3.061   2.107
  311    HA   ARG  38           HA       ARG  38  -0.582   2.321   4.589
  312   1HB   ARG  38           HB2      ARG  38   0.068   4.051   2.276
  313   2HB   ARG  38           HB3      ARG  38   0.716   4.566   3.820
  314   1HG   ARG  38           HG2      ARG  38   1.953   2.617   4.091
  315   2HG   ARG  38           HG3      ARG  38   1.092   1.796   2.789
  316   1HD   ARG  38           HD2      ARG  38   3.400   2.633   2.245
  317   2HD   ARG  38           HD3      ARG  38   2.144   3.099   1.134
  318    HE   ARG  38           HE       ARG  38   2.267   5.312   2.035
  319   1HH1  ARG  38          1HH1      ARG  38   4.709   3.119   3.202
  320   2HH1  ARG  38          2HH1      ARG  38   5.814   4.375   3.647
  321   1HH2  ARG  38          1HH2      ARG  38   3.737   6.979   2.601
  322   2HH2  ARG  38          2HH2      ARG  38   5.261   6.566   3.309
  323    H    VAL  39           H        VAL  39  -0.038   3.985   6.219
  324    HA   VAL  39           HA       VAL  39  -2.425   5.314   7.091
  325    HB   VAL  39           HB       VAL  39   0.347   5.430   8.287
  326   1HG1  VAL  39          1HG1      VAL  39  -2.351   6.091   9.462
  327   2HG1  VAL  39          3HG1      VAL  39  -0.829   6.059  10.352
  328   3HG1  VAL  39          2HG1      VAL  39  -1.072   7.239   9.064
  329   1HG2  VAL  39          1HG2      VAL  39  -0.776   3.139   8.022
  330   2HG2  VAL  39          3HG2      VAL  39  -0.176   3.590   9.617
  331   3HG2  VAL  39          2HG2      VAL  39  -1.899   3.701   9.260
  332    H    GLY  40           H        GLY  40  -2.896   7.458   7.155
  333   1HA   GLY  40           HA3      GLY  40  -0.935   9.494   6.675
  334   2HA   GLY  40           HA2      GLY  40  -2.666   9.736   6.850
  335    H    PHE  41           H        PHE  41  -2.957   7.596   4.661
  336    HA   PHE  41           HA       PHE  41  -2.653   9.481   2.435
  337   1HB   PHE  41           HB2      PHE  41  -1.919   6.549   2.345
  338   2HB   PHE  41           HB3      PHE  41  -1.894   7.653   0.973
  339    HD1  PHE  41           HD1      PHE  41   0.015   6.195   3.499
  340    HD2  PHE  41           HD2      PHE  41  -0.466   9.833   1.362
  341    HE1  PHE  41           HE1      PHE  41   2.305   6.854   4.119
  342    HE2  PHE  41           HE2      PHE  41   1.824  10.504   1.967
  343    HZ   PHE  41           HZ       PHE  41   3.212   9.012   3.352
  344    H    VAL  42           H        VAL  42  -4.607   7.602   4.256
  345    HA   VAL  42           HA       VAL  42  -6.380   6.230   2.772
  346    HB   VAL  42           HB       VAL  42  -6.811   6.447   5.091
  347   1HG1  VAL  42          1HG1      VAL  42  -5.843   8.660   5.425
  348   2HG1  VAL  42          3HG1      VAL  42  -7.242   9.398   4.644
  349   3HG1  VAL  42          2HG1      VAL  42  -7.435   8.543   6.174
  350   1HG2  VAL  42          1HG2      VAL  42  -8.812   6.135   3.719
  351   2HG2  VAL  42          3HG2      VAL  42  -9.170   7.048   5.185
  352   3HG2  VAL  42          2HG2      VAL  42  -9.030   7.882   3.638
  353    H    GLY  43           H        GLY  43  -7.090   6.682   0.777
  354   1HA   GLY  43           HA3      GLY  43  -8.426   9.277   0.358
  355   2HA   GLY  43           HA2      GLY  43  -8.810   7.794  -0.502
  356    H    LYS  44           H        LYS  44  -5.669   9.321   0.124
  357    HA   LYS  44           HA       LYS  44  -5.276  10.516  -2.347
  358   1HB   LYS  44           HB2      LYS  44  -3.160   9.258  -0.597
  359   2HB   LYS  44           HB3      LYS  44  -2.918  10.521  -1.789
  360   1HG   LYS  44           HG2      LYS  44  -4.333  12.029  -0.459
  361   2HG   LYS  44           HG3      LYS  44  -4.499  10.761   0.758
  362   1HD   LYS  44           HD2      LYS  44  -2.081  10.775   1.111
  363   2HD   LYS  44           HD3      LYS  44  -1.905  12.030  -0.118
  364   1HE   LYS  44           HE2      LYS  44  -1.850  12.987   2.122
  365   2HE   LYS  44           HE3      LYS  44  -3.263  13.547   1.228
  366   1HZ   LYS  44           HZ2      LYS  44  -4.605  11.914   2.404
  367   2HZ   LYS  44           HZ1      LYS  44  -3.249  11.384   3.264
  368   3HZ   LYS  44           HZ3      LYS  44  -3.837  12.955   3.494
  369    H    ASP  45           H        ASP  45  -3.680   9.848  -4.029
  370    HA   ASP  45           HA       ASP  45  -4.289   7.166  -4.916
  371   1HB   ASP  45           HB2      ASP  45  -2.899   9.517  -6.196
  372   2HB   ASP  45           HB3      ASP  45  -3.041   7.950  -6.976
  373    H    VAL  46           H        VAL  46  -1.408   9.113  -4.205
  374    HA   VAL  46           HA       VAL  46   0.222   6.675  -4.289
  375    HB   VAL  46           HB       VAL  46   0.849   9.569  -4.635
  376   1HG1  VAL  46          3HG1      VAL  46   2.827   7.520  -3.643
  377   2HG1  VAL  46          2HG1      VAL  46   3.266   9.082  -4.336
  378   3HG1  VAL  46          1HG1      VAL  46   2.344   9.012  -2.834
  379   1HG2  VAL  46          1HG2      VAL  46   0.521   8.092  -6.559
  380   2HG2  VAL  46          3HG2      VAL  46   2.169   8.718  -6.491
  381   3HG2  VAL  46          2HG2      VAL  46   1.833   7.062  -5.983
  382    H    LEU  47           H        LEU  47   1.214   5.873  -2.561
  383    HA   LEU  47           HA       LEU  47   0.651   7.121   0.030
  384   1HB   LEU  47           HB2      LEU  47   1.760   4.378  -0.261
  385   2HB   LEU  47           HB3      LEU  47   0.702   5.019   0.978
  386    HG   LEU  47           HG       LEU  47  -0.143   4.427  -1.859
  387   1HD1  LEU  47          2HD1      LEU  47  -0.554   2.848   0.675
  388   2HD1  LEU  47          1HD1      LEU  47  -1.355   2.522  -0.864
  389   3HD1  LEU  47          3HD1      LEU  47   0.397   2.364  -0.730
  390   1HD2  LEU  47          2HD2      LEU  47  -1.726   5.192   0.587
  391   2HD2  LEU  47          1HD2      LEU  47  -1.469   6.178  -0.853
  392   3HD2  LEU  47          3HD2      LEU  47  -2.415   4.692  -0.959
  393    H    SER  48           H        SER  48   3.236   5.437  -1.710
  394    HA   SER  48           HA       SER  48   5.354   5.803  -0.018
  395   1HB   SER  48           HB2      SER  48   6.764   5.493  -1.933
  396   2HB   SER  48           HB3      SER  48   5.317   4.522  -2.178
  397    HG   SER  48           HG       SER  48   4.525   6.158  -3.538
  398    H    ASP  49           H        ASP  49   7.338   7.245  -0.641
  399    HA   ASP  49           HA       ASP  49   6.671   9.915  -1.511
  400   1HB   ASP  49           HB2      ASP  49   7.323   9.323   1.371
  401   2HB   ASP  49           HB3      ASP  49   7.592  10.911   0.657
  402    H    GLU  50           H        GLU  50   9.190   9.175   0.801
  403    HA   GLU  50           HA       GLU  50  11.191   9.240  -1.350
  404   1HB   GLU  50           HB2      GLU  50  12.583  10.699  -0.001
  405   2HB   GLU  50           HB3      GLU  50  11.005  11.437  -0.250
  406   1HG   GLU  50           HG2      GLU  50  10.311  10.771   1.974
  407   2HG   GLU  50           HG3      GLU  50  11.866   9.981   2.237
  408    H    ILE  51           H        ILE  51  10.260   8.187   1.842
  409    HA   ILE  51           HA       ILE  51  12.667   6.807   2.479
  410    HB   ILE  51           HB       ILE  51   9.908   6.276   3.576
  411   1HG1  ILE  51          2HG1      ILE  51  10.525   8.686   3.663
  412   2HG1  ILE  51          3HG1      ILE  51  10.340   7.949   5.247
  413   1HG2  ILE  51          1HG2      ILE  51  12.672   5.788   4.668
  414   2HG2  ILE  51          3HG2      ILE  51  11.187   5.618   5.604
  415   3HG2  ILE  51          2HG2      ILE  51  11.473   4.579   4.209
  416   1HD1  ILE  51          2HD1      ILE  51  12.964   8.449   3.864
  417   2HD1  ILE  51          1HD1      ILE  51  12.264   9.460   5.130
  418   3HD1  ILE  51          3HD1      ILE  51  12.743   7.801   5.490
  419    H    LEU  52           H        LEU  52   9.461   5.352   2.086
  420    HA   LEU  52           HA       LEU  52  10.744   3.059   0.762
  421   1HB   LEU  52           HB2      LEU  52   8.349   3.359   2.509
  422   2HB   LEU  52           HB3      LEU  52   8.350   2.074   1.319
  423    HG   LEU  52           HG       LEU  52  10.494   2.428   3.403
  424   1HD1  LEU  52          2HD1      LEU  52   8.092   0.611   3.411
  425   2HD1  LEU  52          1HD1      LEU  52   9.421   0.556   4.569
  426   3HD1  LEU  52          3HD1      LEU  52   8.376   1.974   4.493
  427   1HD2  LEU  52          3HD2      LEU  52  11.147   1.207   1.365
  428   2HD2  LEU  52          2HD2      LEU  52  11.142   0.182   2.800
  429   3HD2  LEU  52          1HD2      LEU  52   9.817   0.082   1.640
  430    H    GLU  53           H        GLU  53  10.515   2.946  -1.382
  431    HA   GLU  53           HA       GLU  53   8.589   4.465  -2.819
  432   1HB   GLU  53           HB2      GLU  53  10.782   2.628  -3.438
  433   2HB   GLU  53           HB3      GLU  53   9.434   2.491  -4.558
  434   1HG   GLU  53           HG2      GLU  53  10.274   5.227  -3.941
  435   2HG   GLU  53           HG3      GLU  53  11.461   4.249  -4.798
  436    H    VAL  54           H        VAL  54   6.803   3.621  -1.422
  437    HA   VAL  54           HA       VAL  54   5.887   0.945  -1.812
  438    HB   VAL  54           HB       VAL  54   4.266   3.235  -0.727
  439   1HG1  VAL  54          1HG1      VAL  54   3.034   1.201  -1.217
  440   2HG1  VAL  54          3HG1      VAL  54   4.179   0.260  -0.261
  441   3HG1  VAL  54          2HG1      VAL  54   3.144   1.450   0.526
  442   1HG2  VAL  54          3HG2      VAL  54   6.395   1.595   0.607
  443   2HG2  VAL  54          2HG2      VAL  54   6.211   3.347   0.573
  444   3HG2  VAL  54          1HG2      VAL  54   5.097   2.362   1.522
  445    H    VAL  55           H        VAL  55   5.736   0.853  -4.126
  446    HA   VAL  55           HA       VAL  55   3.734   2.478  -5.433
  447    HB   VAL  55           HB       VAL  55   5.061   0.028  -6.558
  448   1HG1  VAL  55          2HG1      VAL  55   3.045   1.053  -7.670
  449   2HG1  VAL  55          1HG1      VAL  55   4.045   2.471  -7.983
  450   3HG1  VAL  55          3HG1      VAL  55   4.486   0.910  -8.679
  451   1HG2  VAL  55          3HG2      VAL  55   6.070   2.871  -6.613
  452   2HG2  VAL  55          2HG2      VAL  55   6.817   1.514  -5.771
  453   3HG2  VAL  55          1HG2      VAL  55   6.753   1.529  -7.533
  454    H    CYS  56           H        CYS  56   1.901   1.962  -4.291
  455    HA   CYS  56           HA       CYS  56   0.990  -0.811  -4.255
  456   1HB   CYS  56           HB2      CYS  56   0.800   0.359  -2.152
  457   2HB   CYS  56           HB3      CYS  56  -0.088   1.673  -2.915
  458    HG   CYS  56           HG       CYS  56  -1.645  -0.174  -1.239
  459    H    LYS  57           H        LYS  57  -1.018  -1.448  -5.050
  460    HA   LYS  57           HA       LYS  57  -2.414   0.421  -6.811
  461   1HB   LYS  57           HB2      LYS  57  -1.667  -2.366  -7.679
  462   2HB   LYS  57           HB3      LYS  57  -2.482  -1.145  -8.637
  463   1HG   LYS  57           HG2      LYS  57  -0.468   0.237  -8.596
  464   2HG   LYS  57           HG3      LYS  57   0.355  -0.996  -7.639
  465   1HD   LYS  57           HD2      LYS  57   0.067  -2.602  -9.465
  466   2HD   LYS  57           HD3      LYS  57  -0.751  -1.366 -10.422
  467   1HE   LYS  57           HE2      LYS  57   2.096  -1.246  -9.435
  468   2HE   LYS  57           HE3      LYS  57   1.588  -1.604 -11.085
  469   1HZ   LYS  57           HZ2      LYS  57   0.608   0.602 -11.221
  470   2HZ   LYS  57           HZ1      LYS  57   1.101   0.945  -9.640
  471   3HZ   LYS  57           HZ3      LYS  57   2.256   0.700 -10.853
  472    H    TYR  58           H        TYR  58  -4.436   0.434  -6.252
  473    HA   TYR  58           HA       TYR  58  -5.623  -1.874  -4.903
  474   1HB   TYR  58           HB2      TYR  58  -5.731   0.598  -4.057
  475   2HB   TYR  58           HB3      TYR  58  -6.977   0.789  -5.285
  476    HD1  TYR  58           HD1      TYR  58  -6.557   0.345  -1.920
  477    HD2  TYR  58           HD2      TYR  58  -8.690  -1.386  -5.193
  478    HE1  TYR  58           HE1      TYR  58  -8.251  -0.541  -0.368
  479    HE2  TYR  58           HE2      TYR  58 -10.375  -2.273  -3.641
  480    HH   TYR  58           HH       TYR  58 -10.552  -2.859  -1.257
  481    H    THR  59           H        THR  59  -6.295  -3.309  -6.416
  482    HA   THR  59           HA       THR  59  -7.792  -2.294  -8.743
  483    HB   THR  59           HB       THR  59  -6.533  -5.027  -8.396
  484    HG1  THR  59           HG1      THR  59  -4.757  -3.904  -8.758
  485   1HG2  THR  59          3HG2      THR  59  -7.648  -3.619 -10.831
  486   2HG2  THR  59          2HG2      THR  59  -6.848  -5.190 -10.831
  487   3HG2  THR  59          1HG2      THR  59  -8.384  -4.983  -9.991
  488    HA   PRO  60           HA       PRO  60 -11.142  -4.358  -6.434
  489   1HB   PRO  60           HB2      PRO  60 -12.998  -2.494  -6.836
  490   2HB   PRO  60           HB3      PRO  60 -11.722  -2.251  -5.641
  491   1HG   PRO  60           HG2      PRO  60 -11.958  -1.172  -8.423
  492   2HG   PRO  60           HG3      PRO  60 -11.427  -0.347  -6.949
  493   1HD   PRO  60           HD2      PRO  60  -9.758  -1.394  -8.853
  494   2HD   PRO  60           HD3      PRO  60  -9.297  -1.103  -7.167
  495    H    THR  61           H        THR  61 -13.587  -4.551  -7.298
  496    HA   THR  61           HA       THR  61 -13.375  -5.839  -9.853
  497    HB   THR  61           HB       THR  61 -16.089  -5.406  -8.793
  498    HG1  THR  61           HG1      THR  61 -14.759  -5.581  -6.859
  499   1HG2  THR  61          1HG2      THR  61 -14.495  -7.852  -9.563
  500   2HG2  THR  61          3HG2      THR  61 -16.204  -7.853  -9.130
  501   3HG2  THR  61          2HG2      THR  61 -15.660  -6.997 -10.573
  502    HA   PRO  62           HA       PRO  62 -14.496  -2.428 -12.446
  503   1HB   PRO  62           HB2      PRO  62 -15.793  -4.420 -14.200
  504   2HB   PRO  62           HB3      PRO  62 -14.462  -3.313 -14.548
  505   1HG   PRO  62           HG2      PRO  62 -14.047  -5.942 -14.259
  506   2HG   PRO  62           HG3      PRO  62 -12.867  -4.749 -13.685
  507   1HD   PRO  62           HD2      PRO  62 -14.885  -6.321 -12.127
  508   2HD   PRO  62           HD3      PRO  62 -13.202  -5.922 -11.717
  509    H    SER  63           H        SER  63 -16.127  -1.088 -12.025
  510    HA   SER  63           HA       SER  63 -18.848  -2.199 -11.814
  511   1HB   SER  63           HB2      SER  63 -17.948  -1.183  -9.722
  512   2HB   SER  63           HB3      SER  63 -17.798   0.355 -10.573
  513    HG   SER  63           HG       SER  63 -19.998   0.460 -10.765
  514    H    SER  64           H        SER  64 -20.480  -0.200 -12.135
  515    HA   SER  64           HA       SER  64 -20.292   0.444 -14.899
  516   1HB   SER  64           HB2      SER  64 -22.458   0.044 -13.828
  517   2HB   SER  64           HB3      SER  64 -22.221   1.451 -12.792
  518    HG   SER  64           HG       SER  64 -23.070   1.316 -15.383
  519    H    THR  65           H        THR  65 -20.681   2.668 -12.134
  520    HA   THR  65           HA       THR  65 -19.267   4.709 -13.673
  521    HB   THR  65           HB       THR  65 -20.901   5.048 -11.158
  522    HG1  THR  65           HG1      THR  65 -22.388   6.028 -12.696
  523   1HG2  THR  65          1HG2      THR  65 -19.731   7.089 -13.054
  524   2HG2  THR  65          3HG2      THR  65 -20.804   7.444 -11.700
  525   3HG2  THR  65          2HG2      THR  65 -19.198   6.780 -11.401
  526    HA   PRO  66           HA       PRO  66 -16.924   4.719  -9.432
  527   1HB   PRO  66           HB2      PRO  66 -17.571   2.123  -8.232
  528   2HB   PRO  66           HB3      PRO  66 -17.645   3.735  -7.516
  529   1HG   PRO  66           HG2      PRO  66 -19.870   2.338  -8.097
  530   2HG   PRO  66           HG3      PRO  66 -19.804   4.105  -8.247
  531   1HD   PRO  66           HD2      PRO  66 -19.564   2.013 -10.387
  532   2HD   PRO  66           HD3      PRO  66 -20.491   3.529 -10.404
  533    H    MET  67           H        MET  67 -14.861   3.858  -8.965
  534    HA   MET  67           HA       MET  67 -14.066   1.363 -10.235
  535   1HB   MET  67           HB2      MET  67 -12.884   4.042 -10.993
  536   2HB   MET  67           HB3      MET  67 -12.136   2.498 -11.377
  537   1HG   MET  67           HG2      MET  67 -14.850   3.403 -12.312
  538   2HG   MET  67           HG3      MET  67 -13.370   3.435 -13.268
  539   1HE   MET  67           HE3      MET  67 -16.063   2.037 -14.243
  540   2HE   MET  67           HE2      MET  67 -14.581   2.063 -15.199
  541   3HE   MET  67           HE1      MET  67 -15.428   0.540 -14.929
  542    H    VAL  68           H        VAL  68 -14.237   2.909  -7.582
  543    HA   VAL  68           HA       VAL  68 -11.589   2.096  -6.616
  544    HB   VAL  68           HB       VAL  68 -12.956   4.728  -6.079
  545   1HG1  VAL  68          3HG1      VAL  68 -10.600   3.502  -4.644
  546   2HG1  VAL  68          2HG1      VAL  68 -11.110   5.183  -4.489
  547   3HG1  VAL  68          1HG1      VAL  68 -12.176   3.885  -3.951
  548   1HG2  VAL  68          1HG2      VAL  68 -10.227   4.043  -7.163
  549   2HG2  VAL  68          3HG2      VAL  68 -11.594   4.666  -8.087
  550   3HG2  VAL  68          2HG2      VAL  68 -10.829   5.673  -6.857
  551    H    GLY  69           H        GLY  69 -11.629   0.993  -4.734
  552   1HA   GLY  69           HA3      GLY  69 -13.524   1.315  -2.680
  553   2HA   GLY  69           HA2      GLY  69 -12.450  -0.063  -2.868
  554    H    VAL  70           H        VAL  70 -13.264  -1.241  -5.144
  555    HA   VAL  70           HA       VAL  70 -16.123  -1.807  -4.708
  556    HB   VAL  70           HB       VAL  70 -14.814  -2.712  -7.213
  557   1HG1  VAL  70          2HG1      VAL  70 -17.153  -3.206  -6.774
  558   2HG1  VAL  70          1HG1      VAL  70 -17.498  -1.486  -6.592
  559   3HG1  VAL  70          3HG1      VAL  70 -16.996  -2.124  -8.158
  560   1HG2  VAL  70          1HG2      VAL  70 -15.436   0.181  -6.650
  561   2HG2  VAL  70          3HG2      VAL  70 -13.884  -0.515  -7.123
  562   3HG2  VAL  70          2HG2      VAL  70 -15.226  -0.486  -8.269
  563    H    GLY  71           H        GLY  71 -13.326  -2.958  -3.756
  564   1HA   GLY  71           HA3      GLY  71 -14.304  -5.682  -3.574
  565   2HA   GLY  71           HA2      GLY  71 -12.886  -5.026  -2.771
  566    H    GLY  72           H        GLY  72 -10.958  -5.664  -3.508
  567   1HA   GLY  72           HA3      GLY  72 -10.179  -5.843  -6.155
  568   2HA   GLY  72           HA2      GLY  72 -10.782  -7.430  -5.733
  569    H    ILE  73           H        ILE  73  -8.075  -5.679  -6.022
  570    HA   ILE  73           HA       ILE  73  -6.644  -7.303  -4.028
  571    HB   ILE  73           HB       ILE  73  -5.972  -6.579  -6.825
  572   1HG1  ILE  73          2HG1      ILE  73  -6.841  -8.834  -5.941
  573   2HG1  ILE  73          3HG1      ILE  73  -5.482  -8.842  -7.064
  574   1HG2  ILE  73          3HG2      ILE  73  -3.872  -7.097  -4.735
  575   2HG2  ILE  73          2HG2      ILE  73  -3.594  -7.070  -6.475
  576   3HG2  ILE  73          1HG2      ILE  73  -4.105  -5.602  -5.644
  577   1HD1  ILE  73          2HD1      ILE  73  -5.196  -8.994  -4.066
  578   2HD1  ILE  73          1HD1      ILE  73  -5.225 -10.396  -5.139
  579   3HD1  ILE  73          3HD1      ILE  73  -3.927  -9.208  -5.275
  580    H    TYR  74           H        TYR  74  -4.849  -6.476  -3.081
  581    HA   TYR  74           HA       TYR  74  -4.491  -3.565  -3.125
  582   1HB   TYR  74           HB2      TYR  74  -4.139  -5.039  -0.540
  583   2HB   TYR  74           HB3      TYR  74  -4.556  -3.354  -0.812
  584    HD1  TYR  74           HD1      TYR  74  -5.802  -5.877   0.847
  585    HD2  TYR  74           HD2      TYR  74  -6.921  -3.541  -2.520
  586    HE1  TYR  74           HE1      TYR  74  -8.159  -6.368   1.294
  587    HE2  TYR  74           HE2      TYR  74  -9.280  -4.034  -2.082
  588    HH   TYR  74           HH       TYR  74 -10.369  -5.407   0.820
  589    H    VAL  75           H        VAL  75  -2.877  -4.495  -4.677
  590    HA   VAL  75           HA       VAL  75  -0.667  -5.967  -3.564
  591    HB   VAL  75           HB       VAL  75  -1.159  -6.539  -5.797
  592   1HG1  VAL  75          3HG1      VAL  75  -1.013  -3.605  -6.450
  593   2HG1  VAL  75          2HG1      VAL  75  -1.175  -4.899  -7.637
  594   3HG1  VAL  75          1HG1      VAL  75  -2.456  -4.620  -6.456
  595   1HG2  VAL  75          3HG2      VAL  75   1.249  -6.293  -5.238
  596   2HG2  VAL  75          2HG2      VAL  75   0.897  -6.124  -6.957
  597   3HG2  VAL  75          1HG2      VAL  75   1.215  -4.693  -5.977
  598    H    VAL  76           H        VAL  76   0.632  -4.955  -2.262
  599    HA   VAL  76           HA       VAL  76   1.411  -2.186  -2.818
  600    HB   VAL  76           HB       VAL  76   1.801  -3.856  -0.331
  601   1HG1  VAL  76          1HG1      VAL  76   2.445  -0.969  -0.910
  602   2HG1  VAL  76          3HG1      VAL  76   2.438  -1.684   0.702
  603   3HG1  VAL  76          2HG1      VAL  76   3.582  -2.259  -0.511
  604   1HG2  VAL  76          2HG2      VAL  76  -0.540  -3.260  -0.755
  605   2HG2  VAL  76          1HG2      VAL  76   0.100  -2.420   0.657
  606   3HG2  VAL  76          3HG2      VAL  76  -0.082  -1.561  -0.871
  607    H    LEU  77           H        LEU  77   3.350  -1.741  -3.643
  608    HA   LEU  77           HA       LEU  77   5.439  -3.809  -3.525
  609   1HB   LEU  77           HB2      LEU  77   5.039  -1.532  -5.461
  610   2HB   LEU  77           HB3      LEU  77   6.465  -2.555  -5.437
  611    HG   LEU  77           HG       LEU  77   3.628  -3.435  -6.029
  612   1HD1  LEU  77          2HD1      LEU  77   4.651  -2.172  -7.842
  613   2HD1  LEU  77          1HD1      LEU  77   6.061  -3.229  -7.795
  614   3HD1  LEU  77          3HD1      LEU  77   4.492  -3.875  -8.272
  615   1HD2  LEU  77          1HD2      LEU  77   5.239  -5.049  -4.789
  616   2HD2  LEU  77          3HD2      LEU  77   4.351  -5.620  -6.203
  617   3HD2  LEU  77          2HD2      LEU  77   6.045  -5.159  -6.355
  618    H    VAL  78           H        VAL  78   6.481  -3.342  -1.655
  619    HA   VAL  78           HA       VAL  78   7.202  -0.561  -1.125
  620    HB   VAL  78           HB       VAL  78   8.233  -2.352   0.853
  621   1HG1  VAL  78          3HG1      VAL  78   6.022  -0.286   0.891
  622   2HG1  VAL  78          2HG1      VAL  78   6.740  -1.025   2.325
  623   3HG1  VAL  78          1HG1      VAL  78   7.727  -0.017   1.266
  624   1HG2  VAL  78          2HG2      VAL  78   6.558  -3.937   0.091
  625   2HG2  VAL  78          1HG2      VAL  78   6.137  -3.304   1.681
  626   3HG2  VAL  78          3HG2      VAL  78   5.305  -2.707   0.247
  627    H    LYS  79           H        LYS  79   8.939   0.084  -2.185
  628    HA   LYS  79           HA       LYS  79  11.258  -1.713  -2.357
  629   1HB   LYS  79           HB2      LYS  79  10.232   0.487  -4.095
  630   2HB   LYS  79           HB3      LYS  79  11.958   0.153  -4.080
  631   1HG   LYS  79           HG2      LYS  79  11.518  -2.163  -4.709
  632   2HG   LYS  79           HG3      LYS  79   9.777  -1.823  -4.748
  633   1HD   LYS  79           HD2      LYS  79  11.846  -0.430  -6.454
  634   2HD   LYS  79           HD3      LYS  79  10.845  -1.781  -6.991
  635   1HE   LYS  79           HE2      LYS  79   8.832  -0.454  -6.578
  636   2HE   LYS  79           HE3      LYS  79   9.832   0.896  -6.041
  637   1HZ   LYS  79           HZ1      LYS  79   9.858  -0.292  -8.762
  638   2HZ   LYS  79           HZ3      LYS  79   9.126   1.171  -8.333
  639   3HZ   LYS  79           HZ2      LYS  79  10.806   1.009  -8.246
  640    HA   PRO  80           HA       PRO  80  12.820   0.963   0.964
  641   1HB   PRO  80           HB2      PRO  80  15.225  -0.688   0.409
  642   2HB   PRO  80           HB3      PRO  80  14.429  -0.333   1.945
  643   1HG   PRO  80           HG2      PRO  80  14.188  -2.721   0.769
  644   2HG   PRO  80           HG3      PRO  80  12.850  -1.984   1.667
  645   1HD   PRO  80           HD2      PRO  80  13.234  -2.256  -1.274
  646   2HD   PRO  80           HD3      PRO  80  11.738  -2.271  -0.318
  647    H    ARG  81           H        ARG  81  12.972   2.900  -0.141
  648    HA   ARG  81           HA       ARG  81  14.797   3.380  -2.252
  649   1HB   ARG  81           HB2      ARG  81  12.741   4.806  -0.874
  650   2HB   ARG  81           HB3      ARG  81  14.172   5.824  -0.959
  651   1HG   ARG  81           HG2      ARG  81  14.237   5.553  -3.371
  652   2HG   ARG  81           HG3      ARG  81  12.843   4.473  -3.296
  653   1HD   ARG  81           HD2      ARG  81  11.471   6.271  -2.409
  654   2HD   ARG  81           HD3      ARG  81  12.861   7.357  -2.417
  655    HE   ARG  81           HE       ARG  81  12.224   6.214  -4.987
  656   1HH1  ARG  81          1HH1      ARG  81  11.665   8.850  -2.779
  657   2HH1  ARG  81          2HH1      ARG  81  11.142   9.945  -4.015
  658   1HH2  ARG  81          1HH2      ARG  81  11.538   7.648  -6.621
  659   2HH2  ARG  81          2HH2      ARG  81  11.070   9.261  -6.199
  660    H    LYS  82           H        LYS  82  14.850   4.240   1.202
  661    HA   LYS  82           HA       LYS  82  17.693   4.938   0.916
  662   1HB   LYS  82           HB2      LYS  82  15.817   5.654   3.174
  663   2HB   LYS  82           HB3      LYS  82  17.455   6.246   2.944
  664   1HG   LYS  82           HG2      LYS  82  16.718   7.338   0.847
  665   2HG   LYS  82           HG3      LYS  82  15.067   6.826   1.208
  666   1HD   LYS  82           HD2      LYS  82  15.120   8.097   3.293
  667   2HD   LYS  82           HD3      LYS  82  16.776   8.600   2.948
  668   1HE   LYS  82           HE2      LYS  82  14.353   9.235   1.270
  669   2HE   LYS  82           HE3      LYS  82  15.163  10.348   2.371
  670   1HZ   LYS  82           HZ1      LYS  82  17.159  10.174   1.021
  671   2HZ   LYS  82           HZ3      LYS  82  16.381   9.107  -0.037
  672   3HZ   LYS  82           HZ2      LYS  82  15.854  10.709   0.088
  673    H    ARG  83           H        ARG  83  19.124   4.362   2.713
  674    HA   ARG  83           HA       ARG  83  18.504   1.681   3.709
  675   1HB   ARG  83           HB2      ARG  83  21.159   3.087   3.892
  676   2HB   ARG  83           HB3      ARG  83  20.836   1.359   3.935
  677   1HG   ARG  83           HG2      ARG  83  20.436   1.257   1.636
  678   2HG   ARG  83           HG3      ARG  83  20.233   3.006   1.506
  679   1HD   ARG  83           HD2      ARG  83  22.787   1.507   2.049
  680   2HD   ARG  83           HD3      ARG  83  22.363   2.395   0.587
  681    HE   ARG  83           HE       ARG  83  22.236   4.158   2.752
  682   1HH1  ARG  83          1HH1      ARG  83  24.599   2.326   0.961
  683   2HH1  ARG  83          2HH1      ARG  83  25.885   3.444   1.265
  684   1HH2  ARG  83          1HH2      ARG  83  23.924   5.634   3.158
  685   2HH2  ARG  83          2HH2      ARG  83  25.502   5.324   2.515
  686    H    GLY  84           H        GLY  84  17.663   1.560   5.691
  687   1HA   GLY  84           HA3      GLY  84  17.877   3.711   7.575
  688   2HA   GLY  84           HA2      GLY  84  18.873   2.334   8.021
  689    H    HIS  85           H        HIS  85  16.131   3.709   8.828
  690    HA   HIS  85           HA       HIS  85  14.821   1.144   9.413
  691   1HB   HIS  85           HB2      HIS  85  14.576   3.801  10.837
  692   2HB   HIS  85           HB3      HIS  85  13.745   2.318  11.295
  693    HD1  HIS  85           HD1      HIS  85  16.972   4.086  11.601
  694    HD2  HIS  85           HD2      HIS  85  15.446   0.304  12.398
  695    HE1  HIS  85           HE1      HIS  85  18.667   2.977  13.092
  696    HE2  HIS  85           HE2      HIS  85  17.764   0.658  13.489
  697    H    HIS  86           H        HIS  86  13.444   0.819   7.745
  698    HA   HIS  86           HA       HIS  86  11.531   2.970   7.115
  699   1HB   HIS  86           HB2      HIS  86  12.428   0.609   5.447
  700   2HB   HIS  86           HB3      HIS  86  11.150   1.729   4.984
  701    HD1  HIS  86           HD1      HIS  86  14.078   3.256   6.628
  702    HD2  HIS  86           HD2      HIS  86  12.795   2.443   2.762
  703    HE1  HIS  86           HE1      HIS  86  15.549   4.636   5.130
  704    HE2  HIS  86           HE2      HIS  86  14.693   4.199   2.801
  705    H    THR  87           H        THR  87   9.309   2.220   6.543
  706    HA   THR  87           HA       THR  87   8.479  -0.355   7.530
  707    HB   THR  87           HB       THR  87   7.662   2.132   9.039
  708    HG1  THR  87           HG1      THR  87   9.106  -0.201   9.822
  709   1HG2  THR  87          1HG2      THR  87   6.703  -0.722   9.271
  710   2HG2  THR  87          3HG2      THR  87   6.361   0.550  10.446
  711   3HG2  THR  87          2HG2      THR  87   5.744   0.687   8.797
  712    H    LEU  88           H        LEU  88   6.365  -0.900   6.996
  713    HA   LEU  88           HA       LEU  88   4.933   1.024   5.291
  714   1HB   LEU  88           HB2      LEU  88   5.846  -0.674   3.869
  715   2HB   LEU  88           HB3      LEU  88   5.297  -1.947   4.938
  716    HG   LEU  88           HG       LEU  88   2.922  -1.173   4.394
  717   1HD1  LEU  88          2HD1      LEU  88   3.533   1.007   3.483
  718   2HD1  LEU  88          1HD1      LEU  88   4.387   0.214   2.159
  719   3HD1  LEU  88          3HD1      LEU  88   2.638   0.041   2.309
  720   1HD2  LEU  88          3HD2      LEU  88   4.128  -3.192   3.463
  721   2HD2  LEU  88          2HD2      LEU  88   2.794  -2.562   2.497
  722   3HD2  LEU  88          1HD2      LEU  88   4.458  -2.214   2.036
  723    H    GLU  89           H        GLU  89   3.811   1.621   7.233
  724    HA   GLU  89           HA       GLU  89   2.237  -0.325   8.633
  725   1HB   GLU  89           HB2      GLU  89   1.175   2.069   9.376
  726   2HB   GLU  89           HB3      GLU  89   2.563   1.307  10.142
  727   1HG   GLU  89           HG2      GLU  89   4.081   2.606   8.855
  728   2HG   GLU  89           HG3      GLU  89   2.774   3.224   7.852
  729    H    LEU  90           H        LEU  90   0.753  -1.284   7.416
  730    HA   LEU  90           HA       LEU  90  -1.069   0.353   5.814
  731   1HB   LEU  90           HB2      LEU  90  -0.644  -2.633   5.930
  732   2HB   LEU  90           HB3      LEU  90  -1.883  -1.860   4.960
  733    HG   LEU  90           HG       LEU  90   1.102  -1.544   4.627
  734   1HD1  LEU  90          2HD1      LEU  90  -0.989  -2.884   2.920
  735   2HD1  LEU  90          1HD1      LEU  90   0.699  -2.647   2.467
  736   3HD1  LEU  90          3HD1      LEU  90   0.290  -3.682   3.835
  737   1HD2  LEU  90          1HD2      LEU  90  -1.169  -0.296   3.086
  738   2HD2  LEU  90          3HD2      LEU  90  -0.013   0.547   4.118
  739   3HD2  LEU  90          2HD2      LEU  90   0.534  -0.228   2.632
  740    H    VAL  91           H        VAL  91  -3.239   0.464   6.207
  741    HA   VAL  91           HA       VAL  91  -4.308  -1.027   8.494
  742    HB   VAL  91           HB       VAL  91  -5.530   1.350   8.895
  743   1HG1  VAL  91          3HG1      VAL  91  -3.006   0.262  10.102
  744   2HG1  VAL  91          2HG1      VAL  91  -3.835   1.679  10.746
  745   3HG1  VAL  91          1HG1      VAL  91  -4.661   0.121  10.696
  746   1HG2  VAL  91          3HG2      VAL  91  -4.195   2.516   7.220
  747   2HG2  VAL  91          2HG2      VAL  91  -3.863   3.139   8.836
  748   3HG2  VAL  91          1HG2      VAL  91  -2.713   2.049   8.059
  749    H    TYR  92           H        TYR  92  -6.666  -0.841   8.671
  750    HA   TYR  92           HA       TYR  92  -7.943  -0.702   6.037
  751   1HB   TYR  92           HB2      TYR  92  -8.096  -2.676   7.835
  752   2HB   TYR  92           HB3      TYR  92  -9.381  -1.663   8.477
  753    HD1  TYR  92           HD1      TYR  92 -11.102  -3.290   8.073
  754    HD2  TYR  92           HD2      TYR  92  -8.699  -1.864   4.863
  755    HE1  TYR  92           HE1      TYR  92 -12.674  -4.279   6.463
  756    HE2  TYR  92           HE2      TYR  92 -10.269  -2.845   3.246
  757    HH   TYR  92           HH       TYR  92 -13.346  -3.968   4.116
  758    H    THR  93           H        THR  93  -8.007   1.568   5.942
  759    HA   THR  93           HA       THR  93  -9.454   3.022   8.024
  760    HB   THR  93           HB       THR  93  -7.350   3.968   7.300
  761    HG1  THR  93           HG1      THR  93  -8.216   6.053   6.533
  762   1HG2  THR  93          1HG2      THR  93  -7.345   2.989   5.031
  763   2HG2  THR  93          3HG2      THR  93  -8.576   4.157   4.547
  764   3HG2  THR  93          2HG2      THR  93  -6.971   4.712   5.026
  765    H    ARG  94           H        ARG  94 -10.634   5.058   6.890
  766    HA   ARG  94           HA       ARG  94 -12.563   3.931   4.970
  767   1HB   ARG  94           HB2      ARG  94 -13.080   6.066   7.047
  768   2HB   ARG  94           HB3      ARG  94 -14.265   5.360   5.957
  769   1HG   ARG  94           HG2      ARG  94 -13.967   3.190   7.041
  770   2HG   ARG  94           HG3      ARG  94 -12.792   3.910   8.144
  771   1HD   ARG  94           HD2      ARG  94 -14.960   3.746   9.217
  772   2HD   ARG  94           HD3      ARG  94 -14.526   5.437   8.972
  773    HE   ARG  94           HE       ARG  94 -16.008   4.802   6.777
  774   1HH1  ARG  94          1HH1      ARG  94 -16.522   4.614  10.218
  775   2HH1  ARG  94          2HH1      ARG  94 -18.234   4.847  10.106
  776   1HH2  ARG  94          1HH2      ARG  94 -18.262   5.107   6.619
  777   2HH2  ARG  94          2HH2      ARG  94 -19.223   5.126   8.060
  778    HA   PRO  95           HA       PRO  95 -10.430   6.941   2.276
  779   1HB   PRO  95           HB2      PRO  95 -12.946   6.226   0.815
  780   2HB   PRO  95           HB3      PRO  95 -11.304   6.426   0.191
  781   1HG   PRO  95           HG2      PRO  95 -12.335   3.997   0.653
  782   2HG   PRO  95           HG3      PRO  95 -10.622   4.351   0.938
  783   1HD   PRO  95           HD2      PRO  95 -12.788   3.871   2.882
  784   2HD   PRO  95           HD3      PRO  95 -11.035   3.709   3.083
  785    H    PHE  96           H        PHE  96 -13.864   6.973   3.174
  786    HA   PHE  96           HA       PHE  96 -14.105   9.772   2.494
  787   1HB   PHE  96           HB2      PHE  96 -16.438   9.088   3.739
  788   2HB   PHE  96           HB3      PHE  96 -16.141   8.962   2.013
  789    HD1  PHE  96           HD1      PHE  96 -16.246   7.096   5.183
  790    HD2  PHE  96           HD2      PHE  96 -15.983   6.855   0.943
  791    HE1  PHE  96           HE1      PHE  96 -16.662   4.673   5.298
  792    HE2  PHE  96           HE2      PHE  96 -16.399   4.433   1.050
  793    HZ   PHE  96           HZ       PHE  96 -16.739   3.340   3.230
  794    H    GLU  97           H        GLU  97 -14.311   7.763   5.434
  795    HA   GLU  97           HA       GLU  97 -14.561  10.112   7.104
  796   1HB   GLU  97           HB2      GLU  97 -14.301   7.187   7.806
  797   2HB   GLU  97           HB3      GLU  97 -14.543   8.472   8.981
  798   1HG   GLU  97           HG2      GLU  97 -16.435   7.731   6.761
  799   2HG   GLU  97           HG3      GLU  97 -16.622   7.321   8.465
  800    H    GLY  98           H        GLY  98 -12.457   7.406   7.893
  801   1HA   GLY  98           HA3      GLY  98 -10.463   9.111   8.977
  802   2HA   GLY  98           HA2      GLY  98  -9.953   8.514   7.406
  803    H    ILE  99           H        ILE  99  -8.376   7.861   9.362
  804    HA   ILE  99           HA       ILE  99  -8.799   4.989   9.599
  805    HB   ILE  99           HB       ILE  99  -6.315   6.340  10.524
  806   1HG1  ILE  99          2HG1      ILE  99  -6.578   5.631   7.633
  807   2HG1  ILE  99          3HG1      ILE  99  -7.180   7.195   8.177
  808   1HG2  ILE  99          2HG2      ILE  99  -7.017   3.717   9.222
  809   2HG2  ILE  99          1HG2      ILE  99  -5.350   4.257   9.448
  810   3HG2  ILE  99          3HG2      ILE  99  -6.390   3.993  10.848
  811   1HD1  ILE  99          3HD1      ILE  99  -4.948   7.692   9.080
  812   2HD1  ILE  99          2HD1      ILE  99  -4.373   6.148   8.451
  813   3HD1  ILE  99          1HD1      ILE  99  -4.932   7.399   7.340
  814    H    LYS 100           H        LYS 100  -8.445   3.877  11.593
  815    HA   LYS 100           HA       LYS 100  -8.503   5.463  14.041
  816   1HB   LYS 100           HB2      LYS 100 -10.630   3.458  13.291
  817   2HB   LYS 100           HB3      LYS 100 -10.451   4.169  14.877
  818   1HG   LYS 100           HG2      LYS 100 -10.981   6.342  14.047
  819   2HG   LYS 100           HG3      LYS 100 -10.920   5.772  12.377
  820   1HD   LYS 100           HD2      LYS 100 -12.755   4.101  13.661
  821   2HD   LYS 100           HD3      LYS 100 -13.111   5.727  14.251
  822   1HE   LYS 100           HE2      LYS 100 -12.876   4.918  11.356
  823   2HE   LYS 100           HE3      LYS 100 -14.388   5.184  12.225
  824   1HZ   LYS 100           HZ2      LYS 100 -12.291   7.233  11.749
  825   2HZ   LYS 100           HZ1      LYS 100 -13.757   7.115  10.915
  826   3HZ   LYS 100           HZ3      LYS 100 -13.749   7.485  12.567
  827    HA   PRO 101           HA       PRO 101  -6.128   2.281  15.931
  828   1HB   PRO 101           HB2      PRO 101  -8.174   1.976  18.057
  829   2HB   PRO 101           HB3      PRO 101  -6.467   2.406  18.193
  830   1HG   PRO 101           HG2      PRO 101  -8.380   4.241  18.532
  831   2HG   PRO 101           HG3      PRO 101  -6.857   4.641  17.721
  832   1HD   PRO 101           HD2      PRO 101  -9.556   4.102  16.543
  833   2HD   PRO 101           HD3      PRO 101  -8.338   5.305  16.073
  834    H    GLU 102           H        GLU 102  -9.605   1.578  16.115
  835    HA   GLU 102           HA       GLU 102  -9.413  -1.198  16.315
  836   1HB   GLU 102           HB2      GLU 102 -11.765  -1.198  15.456
  837   2HB   GLU 102           HB3      GLU 102 -11.481  -0.145  16.838
  838   1HG   GLU 102           HG2      GLU 102 -11.316   1.766  15.342
  839   2HG   GLU 102           HG3      GLU 102 -11.616   0.712  13.965
  840    H    ASN 103           H        ASN 103  -9.129   0.908  13.573
  841    HA   ASN 103           HA       ASN 103  -9.740  -0.721  11.443
  842   1HB   ASN 103           HB2      ASN 103  -7.483   1.262  11.714
  843   2HB   ASN 103           HB3      ASN 103  -7.957   0.526  10.189
  844   1HD2  ASN 103          1HD2      ASN 103 -10.473   1.150  12.428
  845   2HD2  ASN 103          2HD2      ASN 103 -11.115   2.552  11.654
  846    H    GLU 104           H        GLU 104  -8.866  -2.445  10.439
  847    HA   GLU 104           HA       GLU 104  -7.201  -4.212  11.705
  848   1HB   GLU 104           HB2      GLU 104  -8.640  -4.401   9.512
  849   2HB   GLU 104           HB3      GLU 104  -7.117  -4.035   8.719
  850   1HG   GLU 104           HG2      GLU 104  -6.115  -5.989   9.478
  851   2HG   GLU 104           HG3      GLU 104  -7.329  -6.232  10.732
  852    H    ARG 105           H        ARG 105  -5.005  -4.817  11.385
  853    HA   ARG 105           HA       ARG 105  -3.312  -2.554  10.550
  854   1HB   ARG 105           HB2      ARG 105  -3.368  -3.090  13.023
  855   2HB   ARG 105           HB3      ARG 105  -2.593  -4.615  12.631
  856   1HG   ARG 105           HG2      ARG 105  -0.674  -3.518  12.982
  857   2HG   ARG 105           HG3      ARG 105  -0.969  -2.822  11.379
  858   1HD   ARG 105           HD2      ARG 105  -0.483  -1.065  12.965
  859   2HD   ARG 105           HD3      ARG 105  -2.152  -0.949  12.409
  860    HE   ARG 105           HE       ARG 105  -2.224  -2.443  14.722
  861   1HH1  ARG 105          1HH1      ARG 105  -1.216   0.764  13.804
  862   2HH1  ARG 105          2HH1      ARG 105  -1.574   1.458  15.350
  863   1HH2  ARG 105          1HH2      ARG 105  -2.700  -1.537  16.760
  864   2HH2  ARG 105          2HH2      ARG 105  -2.417   0.150  17.030
  865    H    TYR 106           H        TYR 106  -1.226  -3.059   9.742
  866    HA   TYR 106           HA       TYR 106  -0.267  -5.626   9.167
  867   1HB   TYR 106           HB2      TYR 106  -2.211  -5.556   7.563
  868   2HB   TYR 106           HB3      TYR 106  -1.398  -4.229   6.733
  869    HD1  TYR 106           HD1      TYR 106  -1.418  -7.805   7.426
  870    HD2  TYR 106           HD2      TYR 106   0.629  -4.663   5.424
  871    HE1  TYR 106           HE1      TYR 106  -0.180  -9.459   6.110
  872    HE2  TYR 106           HE2      TYR 106   1.877  -6.311   4.099
  873    HH   TYR 106           HH       TYR 106   2.550  -8.671   4.251
  874    H    THR 107           H        THR 107   1.114  -3.978  10.336
  875    HA   THR 107           HA       THR 107   2.445  -2.028   8.676
  876    HB   THR 107           HB       THR 107   3.204  -2.862  11.474
  877    HG1  THR 107           HG1      THR 107   0.981  -1.535  10.569
  878   1HG2  THR 107          2HG2      THR 107   4.793  -1.448  10.178
  879   2HG2  THR 107          1HG2      THR 107   3.530  -0.226  10.049
  880   3HG2  THR 107          3HG2      THR 107   4.168  -0.668  11.632
  881    H    LEU 108           H        LEU 108   3.641  -3.025   7.130
  882    HA   LEU 108           HA       LEU 108   5.366  -5.246   7.734
  883   1HB   LEU 108           HB2      LEU 108   4.436  -5.269   5.574
  884   2HB   LEU 108           HB3      LEU 108   4.847  -3.597   5.280
  885    HG   LEU 108           HG       LEU 108   7.214  -4.184   5.104
  886   1HD1  LEU 108          2HD1      LEU 108   7.194  -6.073   6.679
  887   2HD1  LEU 108          1HD1      LEU 108   6.319  -7.032   5.485
  888   3HD1  LEU 108          3HD1      LEU 108   7.958  -6.482   5.143
  889   1HD2  LEU 108          1HD2      LEU 108   5.755  -4.260   3.114
  890   2HD2  LEU 108          3HD2      LEU 108   7.124  -5.366   3.013
  891   3HD2  LEU 108          2HD2      LEU 108   5.518  -5.984   3.392
  892    H    HIS 109           H        HIS 109   6.850  -4.540   9.244
  893    HA   HIS 109           HA       HIS 109   8.420  -2.168   8.796
  894   1HB   HIS 109           HB2      HIS 109   8.349  -4.290  10.878
  895   2HB   HIS 109           HB3      HIS 109   9.756  -3.245  10.763
  896    HD1  HIS 109           HD1      HIS 109   9.554  -0.936  11.746
  897    HD2  HIS 109           HD2      HIS 109   5.913  -2.925  11.513
  898    HE1  HIS 109           HE1      HIS 109   7.924   0.499  13.013
  899    HE2  HIS 109           HE2      HIS 109   5.747  -0.767  12.933
  900    H    LEU 110           H        LEU 110  10.507  -2.041   8.153
  901    HA   LEU 110           HA       LEU 110  11.914  -4.462   7.353
  902   1HB   LEU 110           HB2      LEU 110  11.308  -2.188   5.465
  903   2HB   LEU 110           HB3      LEU 110  12.387  -3.522   5.120
  904    HG   LEU 110           HG       LEU 110   9.427  -3.803   5.634
  905   1HD1  LEU 110          2HD1      LEU 110  10.995  -3.787   3.059
  906   2HD1  LEU 110          1HD1      LEU 110   9.303  -4.262   3.207
  907   3HD1  LEU 110          3HD1      LEU 110   9.790  -2.607   3.573
  908   1HD2  LEU 110          2HD2      LEU 110  10.820  -5.774   6.215
  909   2HD2  LEU 110          1HD2      LEU 110   9.694  -6.070   4.891
  910   3HD2  LEU 110          3HD2      LEU 110  11.403  -5.803   4.551
  911    H    ASN 111           H        ASN 111  13.610  -4.104   8.730
  912    HA   ASN 111           HA       ASN 111  14.859  -1.554   9.025
  913   1HB   ASN 111           HB2      ASN 111  14.934  -3.283  10.800
  914   2HB   ASN 111           HB3      ASN 111  15.914  -4.301   9.749
  915   1HD2  ASN 111          1HD2      ASN 111  18.054  -3.773   9.380
  916   2HD2  ASN 111          2HD2      ASN 111  18.902  -2.619  10.344
  917    H    VAL 112           H        VAL 112  15.113  -1.097   6.750
  918    HA   VAL 112           HA       VAL 112  16.528  -2.554   4.889
  919    HB   VAL 112           HB       VAL 112  16.726   0.447   5.077
  920   1HG1  VAL 112          1HG1      VAL 112  18.023  -0.764   3.327
  921   2HG1  VAL 112          3HG1      VAL 112  16.494  -1.356   2.675
  922   3HG1  VAL 112          2HG1      VAL 112  16.836   0.374   2.687
  923   1HG2  VAL 112          3HG2      VAL 112  14.399  -1.215   4.130
  924   2HG2  VAL 112          2HG2      VAL 112  14.415  -0.057   5.459
  925   3HG2  VAL 112          1HG2      VAL 112  14.594   0.505   3.798
  926    H    LYS 113           H        LYS 113  18.549  -3.264   4.833
  927    HA   LYS 113           HA       LYS 113  20.514  -2.421   6.716
  928   1HB   LYS 113           HB2      LYS 113  20.782  -4.173   4.268
  929   2HB   LYS 113           HB3      LYS 113  22.001  -3.988   5.520
  930   1HG   LYS 113           HG2      LYS 113  19.233  -5.094   5.951
  931   2HG   LYS 113           HG3      LYS 113  20.697  -6.057   5.754
  932   1HD   LYS 113           HD2      LYS 113  20.266  -4.020   7.936
  933   2HD   LYS 113           HD3      LYS 113  20.020  -5.757   8.123
  934   1HE   LYS 113           HE2      LYS 113  22.616  -4.403   7.399
  935   2HE   LYS 113           HE3      LYS 113  22.203  -5.072   8.977
  936   1HZ   LYS 113           HZ3      LYS 113  22.434  -6.620   6.452
  937   2HZ   LYS 113           HZ2      LYS 113  23.574  -6.594   7.701
  938   3HZ   LYS 113           HZ1      LYS 113  22.044  -7.261   7.969

  No H/Q in entry =         938
  Start of MODEL   31
    1    H1   GLY  -2           HT3      GLY  -2  -6.015 -14.212  28.934
    2    H2   GLY  -2           HT2      GLY  -2  -6.575 -13.907  27.368
    3    H3   GLY  -2           HT1      GLY  -2  -7.479 -14.882  28.413
    4   1HA   GLY  -2           HA2      GLY  -2  -6.329 -16.240  26.788
    5   2HA   GLY  -2           HA3      GLY  -2  -5.753 -16.560  28.416
    6    H    SER  -1           H        SER  -1  -5.039 -14.774  25.450
    7    HA   SER  -1           HA       SER  -1  -2.234 -14.556  26.272
    8   1HB   SER  -1           HB2      SER  -1  -3.170 -15.729  23.642
    9   2HB   SER  -1           HB3      SER  -1  -1.493 -15.382  24.062
   10    HG   SER  -1           HG       SER  -1  -1.995 -16.825  25.958
   11    H    HIS   0           H        HIS   0  -4.791 -13.621  24.036
   12    HA   HIS   0           HA       HIS   0  -3.260 -11.311  23.132
   13   1HB   HIS   0           HB2      HIS   0  -6.023 -12.267  22.349
   14   2HB   HIS   0           HB3      HIS   0  -5.153 -10.932  21.599
   15    HD1  HIS   0           HD1      HIS   0  -5.533 -14.584  21.506
   16    HD2  HIS   0           HD2      HIS   0  -2.833 -11.756  20.096
   17    HE1  HIS   0           HE1      HIS   0  -4.159 -15.774  19.768
   18    HE2  HIS   0           HE2      HIS   0  -2.587 -14.021  18.870
   19    H    MET   1           H        MET   1  -3.959  -9.166  23.389
   20    HA   MET   1           HA       MET   1  -5.354  -8.687  25.876
   21   1HB   MET   1           HB2      MET   1  -4.220  -6.675  23.926
   22   2HB   MET   1           HB3      MET   1  -4.690  -6.373  25.592
   23   1HG   MET   1           HG2      MET   1  -2.917  -7.850  26.372
   24   2HG   MET   1           HG3      MET   1  -2.448  -8.173  24.704
   25   1HE   MET   1           HE3      MET   1   0.057  -7.492  25.242
   26   2HE   MET   1           HE2      MET   1   0.514  -5.971  26.007
   27   3HE   MET   1           HE1      MET   1  -0.391  -7.179  26.918
   28    H    ILE   2           H        ILE   2  -6.670  -6.374  25.572
   29    HA   ILE   2           HA       ILE   2  -8.560  -6.662  23.365
   30    HB   ILE   2           HB       ILE   2  -9.531  -7.996  25.177
   31   1HG1  ILE   2          2HG1      ILE   2 -11.711  -6.786  25.364
   32   2HG1  ILE   2          3HG1      ILE   2 -10.939  -5.367  24.664
   33   1HG2  ILE   2          2HG2      ILE   2  -8.470  -6.901  27.068
   34   2HG2  ILE   2          1HG2      ILE   2  -9.425  -5.446  26.780
   35   3HG2  ILE   2          3HG2      ILE   2 -10.221  -6.939  27.276
   36   1HD1  ILE   2          1HD1      ILE   2 -11.251  -8.038  23.319
   37   2HD1  ILE   2          3HD1      ILE   2 -12.218  -6.597  23.007
   38   3HD1  ILE   2          2HD1      ILE   2 -10.498  -6.606  22.618
   39    H    ALA   3           H        ALA   3  -6.992  -4.797  25.791
   40    HA   ALA   3           HA       ALA   3  -8.562  -2.424  25.521
   41   1HB   ALA   3           HB2      ALA   3  -5.772  -2.766  26.611
   42   2HB   ALA   3           HB1      ALA   3  -6.803  -1.351  26.819
   43   3HB   ALA   3           HB3      ALA   3  -7.265  -2.892  27.540
   44    HA   PRO   4           HA       PRO   4  -6.520  -1.356  21.632
   45   1HB   PRO   4           HB2      PRO   4  -8.268   0.524  20.848
   46   2HB   PRO   4           HB3      PRO   4  -8.658  -1.198  20.762
   47   1HG   PRO   4           HG2      PRO   4  -9.465   0.830  22.813
   48   2HG   PRO   4           HG3      PRO   4 -10.439  -0.444  22.054
   49   1HD   PRO   4           HD2      PRO   4  -9.311  -0.662  24.543
   50   2HD   PRO   4           HD3      PRO   4  -9.684  -2.049  23.503
   51    H    LEU   5           H        LEU   5  -5.909   0.837  20.636
   52    HA   LEU   5           HA       LEU   5  -5.550   3.004  22.518
   53   1HB   LEU   5           HB2      LEU   5  -3.670   1.518  23.055
   54   2HB   LEU   5           HB3      LEU   5  -3.165   1.544  21.377
   55    HG   LEU   5           HG       LEU   5  -2.769   3.997  21.585
   56   1HD1  LEU   5          3HD1      LEU   5  -4.295   4.450  23.431
   57   2HD1  LEU   5          2HD1      LEU   5  -3.286   3.489  24.512
   58   3HD1  LEU   5          1HD1      LEU   5  -2.659   4.983  23.816
   59   1HD2  LEU   5          1HD2      LEU   5  -1.270   2.250  23.532
   60   2HD2  LEU   5          3HD2      LEU   5  -0.936   2.412  21.807
   61   3HD2  LEU   5          2HD2      LEU   5  -0.708   3.790  22.882
   62    H    SER   6           H        SER   6  -3.855   1.957  19.564
   63    HA   SER   6           HA       SER   6  -5.242   3.801  17.886
   64   1HB   SER   6           HB2      SER   6  -3.313   5.265  17.371
   65   2HB   SER   6           HB3      SER   6  -3.833   5.424  19.049
   66    HG   SER   6           HG       SER   6  -1.550   5.236  18.836
   67    H    VAL   7           H        VAL   7  -2.008   2.322  18.177
   68    HA   VAL   7           HA       VAL   7  -2.237   1.374  15.415
   69    HB   VAL   7           HB       VAL   7  -0.180   2.572  15.992
   70   1HG1  VAL   7          1HG1      VAL   7   0.256   0.348  17.982
   71   2HG1  VAL   7          3HG1      VAL   7   1.443   1.578  17.549
   72   3HG1  VAL   7          2HG1      VAL   7  -0.055   2.044  18.355
   73   1HG2  VAL   7          2HG2      VAL   7  -0.082   0.844  14.276
   74   2HG2  VAL   7          1HG2      VAL   7   1.434   0.927  15.174
   75   3HG2  VAL   7          3HG2      VAL   7   0.283  -0.367  15.504
   76    H    LYS   8           H        LYS   8  -1.840  -0.817  14.869
   77    HA   LYS   8           HA       LYS   8  -1.980  -2.738  17.080
   78   1HB   LYS   8           HB2      LYS   8  -3.571  -3.085  14.550
   79   2HB   LYS   8           HB3      LYS   8  -3.696  -3.999  16.041
   80   1HG   LYS   8           HG2      LYS   8  -4.407  -1.088  15.814
   81   2HG   LYS   8           HG3      LYS   8  -5.567  -2.406  15.634
   82   1HD   LYS   8           HD2      LYS   8  -5.061  -3.173  17.896
   83   2HD   LYS   8           HD3      LYS   8  -3.879  -1.874  18.078
   84   1HE   LYS   8           HE2      LYS   8  -5.993  -1.306  19.160
   85   2HE   LYS   8           HE3      LYS   8  -5.646  -0.215  17.819
   86   1HZ   LYS   8           HZ3      LYS   8  -7.495  -2.538  17.715
   87   2HZ   LYS   8           HZ2      LYS   8  -7.960  -0.915  17.826
   88   3HZ   LYS   8           HZ1      LYS   8  -7.171  -1.476  16.439
   89    H    ASP   9           H        ASP   9  -0.161  -3.848  16.920
   90    HA   ASP   9           HA       ASP   9   1.444  -4.028  14.653
   91   1HB   ASP   9           HB2      ASP   9   1.340  -5.876  17.047
   92   2HB   ASP   9           HB3      ASP   9   2.663  -5.761  15.898
   93    H    ASN  10           H        ASN  10   1.343  -5.268  12.888
   94    HA   ASN  10           HA       ASN  10  -0.497  -7.565  12.932
   95   1HB   ASN  10           HB2      ASN  10  -0.760  -5.350  11.384
   96   2HB   ASN  10           HB3      ASN  10   0.187  -6.381  10.312
   97   1HD2  ASN  10          1HD2      ASN  10  -2.094  -7.590  12.673
   98   2HD2  ASN  10          2HD2      ASN  10  -3.241  -8.195  11.532
   99    H    ASP  11           H        ASP  11   2.705  -6.549  12.465
  100    HA   ASP  11           HA       ASP  11   3.480  -9.267  11.799
  101   1HB   ASP  11           HB2      ASP  11   3.167  -7.686   9.683
  102   2HB   ASP  11           HB3      ASP  11   4.780  -7.155  10.146
  103    H    LYS  12           H        LYS  12   6.171  -7.979  10.995
  104    HA   LYS  12           HA       LYS  12   7.078  -7.229  13.682
  105   1HB   LYS  12           HB2      LYS  12   8.978  -8.688  13.496
  106   2HB   LYS  12           HB3      LYS  12   7.525  -9.630  13.183
  107   1HG   LYS  12           HG2      LYS  12   7.947  -9.417  10.763
  108   2HG   LYS  12           HG3      LYS  12   9.451  -8.574  11.131
  109   1HD   LYS  12           HD2      LYS  12   8.779 -11.372  12.031
  110   2HD   LYS  12           HD3      LYS  12   9.783 -10.973  10.636
  111   1HE   LYS  12           HE2      LYS  12  11.360  -9.811  12.107
  112   2HE   LYS  12           HE3      LYS  12  10.360 -10.221  13.500
  113   1HZ   LYS  12           HZ3      LYS  12  10.754 -12.564  13.042
  114   2HZ   LYS  12           HZ2      LYS  12  11.725 -12.165  11.717
  115   3HZ   LYS  12           HZ1      LYS  12  12.214 -11.744  13.279
  116    H    TRP  13           H        TRP  13   9.636  -6.757  13.339
  117    HA   TRP  13           HA       TRP  13  10.007  -5.043  11.002
  118   1HB   TRP  13           HB2      TRP  13  10.511  -4.277  13.890
  119   2HB   TRP  13           HB3      TRP  13  10.981  -3.315  12.496
  120    HD1  TRP  13           HD1      TRP  13   8.334  -3.571  10.800
  121    HE1  TRP  13           HE1      TRP  13   6.195  -2.368  11.556
  122    HE3  TRP  13           HE3      TRP  13   9.449  -2.964  15.750
  123    HZ2  TRP  13           HZ2      TRP  13   5.100  -1.309  13.927
  124    HZ3  TRP  13           HZ3      TRP  13   7.800  -1.845  17.197
  125    HH2  TRP  13           HH2      TRP  13   5.676  -1.035  16.305
  126    H    VAL  14           H        VAL  14  11.870  -5.712   9.971
  127    HA   VAL  14           HA       VAL  14  14.248  -6.222  11.519
  128    HB   VAL  14           HB       VAL  14  13.336  -8.376  11.829
  129   1HG1  VAL  14          1HG1      VAL  14  12.671  -8.292   8.907
  130   2HG1  VAL  14          3HG1      VAL  14  12.703  -9.798   9.825
  131   3HG1  VAL  14          2HG1      VAL  14  11.580  -8.515  10.278
  132   1HG2  VAL  14          1HG2      VAL  14  15.705  -8.338  11.232
  133   2HG2  VAL  14          3HG2      VAL  14  14.921  -9.832  10.719
  134   3HG2  VAL  14          2HG2      VAL  14  15.274  -8.570   9.537
  135    H    ASP  15           H        ASP  15  16.095  -6.658  10.266
  136    HA   ASP  15           HA       ASP  15  16.564  -4.879   8.274
  137   1HB   ASP  15           HB2      ASP  15  18.617  -6.001   7.861
  138   2HB   ASP  15           HB3      ASP  15  18.240  -6.192   9.576
  139    H    THR  16           H        THR  16  17.288  -5.275   6.036
  140    HA   THR  16           HA       THR  16  16.289  -7.405   4.479
  141    HB   THR  16           HB       THR  16  14.147  -6.135   5.134
  142    HG1  THR  16           HG1      THR  16  13.360  -7.034   3.376
  143   1HG2  THR  16          1HG2      THR  16  15.075  -3.872   4.708
  144   2HG2  THR  16          3HG2      THR  16  15.119  -4.253   2.986
  145   3HG2  THR  16          2HG2      THR  16  13.576  -4.191   3.838
  146    H    HIS  17           H        HIS  17  15.913  -6.177   2.024
  147    HA   HIS  17           HA       HIS  17  18.497  -4.807   1.667
  148   1HB   HIS  17           HB2      HIS  17  16.982  -6.670  -0.154
  149   2HB   HIS  17           HB3      HIS  17  18.310  -5.671  -0.727
  150    HD1  HIS  17           HD1      HIS  17  17.568  -8.830   0.980
  151    HD2  HIS  17           HD2      HIS  17  20.854  -6.336   0.483
  152    HE1  HIS  17           HE1      HIS  17  19.565 -10.212   1.633
  153    HE2  HIS  17           HE2      HIS  17  21.534  -8.658   1.398
  154    H    VAL  18           H        VAL  18  18.410  -3.646  -0.649
  155    HA   VAL  18           HA       VAL  18  16.313  -1.639  -0.330
  156    HB   VAL  18           HB       VAL  18  18.699  -1.505  -2.166
  157   1HG1  VAL  18          2HG1      VAL  18  16.859   0.592  -1.023
  158   2HG1  VAL  18          1HG1      VAL  18  18.313   0.932  -1.965
  159   3HG1  VAL  18          3HG1      VAL  18  16.959   0.075  -2.706
  160   1HG2  VAL  18          2HG2      VAL  18  19.467  -1.869   0.117
  161   2HG2  VAL  18          1HG2      VAL  18  19.814  -0.220  -0.406
  162   3HG2  VAL  18          3HG2      VAL  18  18.460  -0.535   0.679
  163    H    GLY  19           H        GLY  19  15.008  -0.908  -1.973
  164   1HA   GLY  19           HA3      GLY  19  14.979  -1.598  -4.641
  165   2HA   GLY  19           HA2      GLY  19  13.552  -1.181  -3.713
  166    H    LYS  20           H        LYS  20  14.153  -3.582  -1.947
  167    HA   LYS  20           HA       LYS  20  13.796  -5.852  -3.653
  168   1HB   LYS  20           HB2      LYS  20  14.586  -5.476  -1.032
  169   2HB   LYS  20           HB3      LYS  20  13.006  -6.205  -0.858
  170   1HG   LYS  20           HG2      LYS  20  14.482  -8.000  -0.869
  171   2HG   LYS  20           HG3      LYS  20  13.828  -7.964  -2.511
  172   1HD   LYS  20           HD2      LYS  20  15.776  -7.020  -3.386
  173   2HD   LYS  20           HD3      LYS  20  16.330  -6.502  -1.797
  174   1HE   LYS  20           HE2      LYS  20  16.699  -8.840  -1.167
  175   2HE   LYS  20           HE3      LYS  20  16.132  -9.358  -2.754
  176   1HZ   LYS  20           HZ2      LYS  20  18.525  -7.676  -2.241
  177   2HZ   LYS  20           HZ1      LYS  20  18.543  -9.319  -2.644
  178   3HZ   LYS  20           HZ3      LYS  20  17.983  -8.179  -3.762
  179    H    THR  21           H        THR  21  12.015  -4.863  -4.830
  180    HA   THR  21           HA       THR  21   9.579  -4.059  -4.024
  181    HB   THR  21           HB       THR  21   9.887  -6.063  -6.258
  182    HG1  THR  21           HG1      THR  21  11.164  -4.635  -7.144
  183   1HG2  THR  21          1HG2      THR  21   8.005  -3.738  -5.830
  184   2HG2  THR  21          3HG2      THR  21   8.078  -4.735  -7.283
  185   3HG2  THR  21          2HG2      THR  21   7.589  -5.450  -5.746
  186    H    THR  22           H        THR  22   8.545  -4.872  -2.309
  187    HA   THR  22           HA       THR  22   8.034  -7.764  -2.216
  188    HB   THR  22           HB       THR  22   7.730  -5.688  -0.030
  189    HG1  THR  22           HG1      THR  22   9.861  -6.043  -0.120
  190   1HG2  THR  22          2HG2      THR  22   7.436  -8.695   0.063
  191   2HG2  THR  22          1HG2      THR  22   7.399  -7.618   1.458
  192   3HG2  THR  22          3HG2      THR  22   6.135  -7.519   0.234
  193    H    GLU  23           H        GLU  23   6.265  -8.181  -3.357
  194    HA   GLU  23           HA       GLU  23   4.004  -6.413  -3.395
  195   1HB   GLU  23           HB2      GLU  23   4.828  -7.793  -5.344
  196   2HB   GLU  23           HB3      GLU  23   4.203  -9.206  -4.505
  197   1HG   GLU  23           HG2      GLU  23   1.965  -8.414  -4.647
  198   2HG   GLU  23           HG3      GLU  23   2.516  -6.826  -5.196
  199    H    ILE  24           H        ILE  24   2.445  -6.420  -1.977
  200    HA   ILE  24           HA       ILE  24   1.801  -8.919  -0.566
  201    HB   ILE  24           HB       ILE  24   1.701  -6.147   0.604
  202   1HG1  ILE  24          2HG1      ILE  24   3.635  -8.401   1.150
  203   2HG1  ILE  24          3HG1      ILE  24   4.011  -6.929   0.260
  204   1HG2  ILE  24          2HG2      ILE  24   0.009  -7.662   1.502
  205   2HG2  ILE  24          1HG2      ILE  24   1.262  -8.845   1.880
  206   3HG2  ILE  24          3HG2      ILE  24   1.234  -7.291   2.715
  207   1HD1  ILE  24          3HD1      ILE  24   3.567  -5.616   2.282
  208   2HD1  ILE  24          2HD1      ILE  24   3.256  -7.111   3.164
  209   3HD1  ILE  24          1HD1      ILE  24   4.862  -6.791   2.509
  210    H    HIS  25           H        HIS  25   0.055  -9.471  -1.690
  211    HA   HIS  25           HA       HIS  25  -2.045  -7.552  -2.223
  212   1HB   HIS  25           HB2      HIS  25  -2.589 -10.396  -2.660
  213   2HB   HIS  25           HB3      HIS  25  -2.809  -9.035  -3.743
  214    HD1  HIS  25           HD1      HIS  25  -0.309 -11.625  -2.749
  215    HD2  HIS  25           HD2      HIS  25  -0.719  -8.544  -5.500
  216    HE1  HIS  25           HE1      HIS  25   1.564 -11.946  -4.395
  217    HE2  HIS  25           HE2      HIS  25   1.192 -10.167  -6.140
  218    H    LEU  26           H        LEU  26  -3.314  -7.041  -0.563
  219    HA   LEU  26           HA       LEU  26  -3.840  -9.000   1.531
  220   1HB   LEU  26           HB2      LEU  26  -4.632  -6.098   1.302
  221   2HB   LEU  26           HB3      LEU  26  -4.959  -7.117   2.688
  222    HG   LEU  26           HG       LEU  26  -3.104  -5.803   3.293
  223   1HD1  LEU  26          2HD1      LEU  26  -2.851  -8.192   3.833
  224   2HD1  LEU  26          1HD1      LEU  26  -1.945  -8.415   2.337
  225   3HD1  LEU  26          3HD1      LEU  26  -1.301  -7.378   3.610
  226   1HD2  LEU  26          3HD2      LEU  26  -2.564  -5.004   1.034
  227   2HD2  LEU  26          2HD2      LEU  26  -1.132  -5.483   1.948
  228   3HD2  LEU  26          1HD2      LEU  26  -1.778  -6.546   0.698
  229    H    LYS  27           H        LYS  27  -6.128  -9.098   2.378
  230    HA   LYS  27           HA       LYS  27  -7.973  -9.294   0.096
  231   1HB   LYS  27           HB2      LYS  27  -8.213 -10.677   2.769
  232   2HB   LYS  27           HB3      LYS  27  -9.176 -10.977   1.332
  233   1HG   LYS  27           HG2      LYS  27  -7.267 -11.883   0.178
  234   2HG   LYS  27           HG3      LYS  27  -6.215 -11.479   1.535
  235   1HD   LYS  27           HD2      LYS  27  -6.745 -13.823   1.636
  236   2HD   LYS  27           HD3      LYS  27  -7.564 -12.999   2.964
  237   1HE   LYS  27           HE2      LYS  27  -9.639 -12.975   1.672
  238   2HE   LYS  27           HE3      LYS  27  -8.822 -13.792   0.341
  239   1HZ   LYS  27           HZ1      LYS  27  -9.213 -14.902   3.067
  240   2HZ   LYS  27           HZ3      LYS  27 -10.084 -15.346   1.686
  241   3HZ   LYS  27           HZ2      LYS  27  -8.431 -15.686   1.790
  242    H    GLY  28           H        GLY  28 -10.327  -9.000   0.747
  243   1HA   GLY  28           HA3      GLY  28 -10.520  -6.410   2.035
  244   2HA   GLY  28           HA2      GLY  28 -11.348  -7.709   2.874
  245    H    ASN  29           H        ASN  29 -12.406  -5.285   1.583
  246    HA   ASN  29           HA       ASN  29 -13.698  -5.962  -0.840
  247   1HB   ASN  29           HB2      ASN  29 -14.905  -7.541   0.609
  248   2HB   ASN  29           HB3      ASN  29 -15.385  -6.209   1.660
  249   1HD2  ASN  29          1HD2      ASN  29 -17.566  -6.662   1.312
  250   2HD2  ASN  29          2HD2      ASN  29 -18.358  -6.256  -0.169
  251    HA   PRO  30           HA       PRO  30 -13.735  -1.472  -0.422
  252   1HB   PRO  30           HB2      PRO  30 -15.234  -1.731  -2.975
  253   2HB   PRO  30           HB3      PRO  30 -13.817  -0.746  -2.598
  254   1HG   PRO  30           HG2      PRO  30 -13.580  -2.948  -4.068
  255   2HG   PRO  30           HG3      PRO  30 -12.351  -2.529  -2.860
  256   1HD   PRO  30           HD2      PRO  30 -14.542  -4.559  -2.710
  257   2HD   PRO  30           HD3      PRO  30 -12.869  -4.662  -2.130
  258    H    THR  31           H        THR  31 -16.597  -3.206  -1.658
  259    HA   THR  31           HA       THR  31 -18.513  -1.296  -1.035
  260    HB   THR  31           HB       THR  31 -18.930  -4.286  -0.958
  261    HG1  THR  31           HG1      THR  31 -17.866  -3.565  -2.906
  262   1HG2  THR  31          1HG2      THR  31 -20.767  -1.996  -1.639
  263   2HG2  THR  31          3HG2      THR  31 -21.183  -3.707  -1.727
  264   3HG2  THR  31          2HG2      THR  31 -20.819  -2.967  -0.167
  265    H    THR  32           H        THR  32 -16.905  -3.638   0.992
  266    HA   THR  32           HA       THR  32 -18.694  -3.736   3.138
  267    HB   THR  32           HB       THR  32 -15.689  -4.024   3.107
  268    HG1  THR  32           HG1      THR  32 -16.321  -6.275   3.300
  269   1HG2  THR  32          1HG2      THR  32 -17.645  -4.651   5.320
  270   2HG2  THR  32          3HG2      THR  32 -15.951  -5.142   5.290
  271   3HG2  THR  32          2HG2      THR  32 -16.372  -3.431   5.358
  272    H    GLY  33           H        GLY  33 -15.790  -1.673   2.769
  273   1HA   GLY  33           HA3      GLY  33 -16.624  -0.074   5.045
  274   2HA   GLY  33           HA2      GLY  33 -16.737   0.732   3.489
  275    H    TYR  34           H        TYR  34 -14.528  -0.777   5.777
  276    HA   TYR  34           HA       TYR  34 -12.559   1.165   5.541
  277   1HB   TYR  34           HB2      TYR  34 -12.309  -1.711   6.427
  278   2HB   TYR  34           HB3      TYR  34 -11.053  -0.498   6.641
  279    HD1  TYR  34           HD1      TYR  34 -14.471  -1.476   7.637
  280    HD2  TYR  34           HD2      TYR  34 -11.166   1.093   8.418
  281    HE1  TYR  34           HE1      TYR  34 -15.500  -0.807   9.767
  282    HE2  TYR  34           HE2      TYR  34 -12.189   1.766  10.549
  283    HH   TYR  34           HH       TYR  34 -14.421   1.850  11.577
  284    H    MET  35           H        MET  35 -10.380   0.990   4.735
  285    HA   MET  35           HA       MET  35 -10.148  -0.578   2.267
  286   1HB   MET  35           HB2      MET  35 -10.324   1.557   1.407
  287   2HB   MET  35           HB3      MET  35  -9.641   2.303   2.845
  288   1HG   MET  35           HG2      MET  35  -7.426   1.374   2.179
  289   2HG   MET  35           HG3      MET  35  -8.170   0.861   0.682
  290   1HE   MET  35           HE2      MET  35 -10.101   3.013  -0.153
  291   2HE   MET  35           HE1      MET  35  -9.161   4.243  -0.997
  292   3HE   MET  35           HE3      MET  35  -8.867   2.535  -1.317
  293    H    TRP  36           H        TRP  36  -8.067  -1.307   1.756
  294    HA   TRP  36           HA       TRP  36  -6.228  -1.367   4.048
  295   1HB   TRP  36           HB2      TRP  36  -7.089  -3.361   2.121
  296   2HB   TRP  36           HB3      TRP  36  -5.339  -3.227   2.194
  297    HD1  TRP  36           HD1      TRP  36  -7.973  -5.161   3.691
  298    HE1  TRP  36           HE1      TRP  36  -7.296  -6.116   5.986
  299    HE3  TRP  36           HE3      TRP  36  -3.861  -2.262   4.603
  300    HZ2  TRP  36           HZ2      TRP  36  -5.290  -5.701   7.918
  301    HZ3  TRP  36           HZ3      TRP  36  -2.621  -2.607   6.699
  302    HH2  TRP  36           HH2      TRP  36  -3.323  -4.292   8.319
  303    H    THR  37           H        THR  37  -5.379   0.709   3.520
  304    HA   THR  37           HA       THR  37  -3.548   0.653   1.210
  305    HB   THR  37           HB       THR  37  -5.440   2.220   0.852
  306    HG1  THR  37           HG1      THR  37  -3.366   4.007   1.157
  307   1HG2  THR  37          1HG2      THR  37  -5.808   2.836   3.211
  308   2HG2  THR  37          3HG2      THR  37  -4.275   3.708   3.215
  309   3HG2  THR  37          2HG2      THR  37  -5.597   4.255   2.185
  310    H    ARG  38           H        ARG  38  -2.240   3.121   1.877
  311    HA   ARG  38           HA       ARG  38  -0.631   2.185   4.129
  312   1HB   ARG  38           HB2      ARG  38  -0.008   3.299   1.646
  313   2HB   ARG  38           HB3      ARG  38   0.339   4.574   2.793
  314   1HG   ARG  38           HG2      ARG  38   1.870   3.193   3.966
  315   2HG   ARG  38           HG3      ARG  38   1.420   1.791   2.993
  316   1HD   ARG  38           HD2      ARG  38   3.459   2.659   2.125
  317   2HD   ARG  38           HD3      ARG  38   2.204   3.027   0.978
  318    HE   ARG  38           HE       ARG  38   2.260   5.319   1.845
  319   1HH1  ARG  38          1HH1      ARG  38   4.948   3.224   2.571
  320   2HH1  ARG  38          2HH1      ARG  38   6.077   4.522   2.767
  321   1HH2  ARG  38          1HH2      ARG  38   3.752   7.038   2.094
  322   2HH2  ARG  38          2HH2      ARG  38   5.398   6.686   2.498
  323    H    VAL  39           H        VAL  39  -1.133   2.960   6.070
  324    HA   VAL  39           HA       VAL  39  -2.909   4.953   6.664
  325    HB   VAL  39           HB       VAL  39  -2.357   3.625   8.478
  326   1HG1  VAL  39          2HG1      VAL  39   0.546   4.249   7.985
  327   2HG1  VAL  39          1HG1      VAL  39  -0.075   3.273   9.317
  328   3HG1  VAL  39          3HG1      VAL  39  -0.279   2.726   7.653
  329   1HG2  VAL  39          2HG2      VAL  39  -2.581   5.977   9.138
  330   2HG2  VAL  39          1HG2      VAL  39  -1.509   5.085  10.218
  331   3HG2  VAL  39          3HG2      VAL  39  -0.833   6.171   9.005
  332    H    GLY  40           H        GLY  40  -2.920   7.103   6.847
  333   1HA   GLY  40           HA3      GLY  40  -0.431   8.613   6.795
  334   2HA   GLY  40           HA2      GLY  40  -2.044   9.268   7.037
  335    H    PHE  41           H        PHE  41  -2.396   7.271   4.507
  336    HA   PHE  41           HA       PHE  41  -2.069   9.454   2.581
  337   1HB   PHE  41           HB2      PHE  41  -1.181   6.615   2.043
  338   2HB   PHE  41           HB3      PHE  41  -1.035   7.991   0.954
  339    HD1  PHE  41           HD1      PHE  41   0.436   6.162   3.660
  340    HD2  PHE  41           HD2      PHE  41   0.496   9.880   1.594
  341    HE1  PHE  41           HE1      PHE  41   2.640   6.664   4.637
  342    HE2  PHE  41           HE2      PHE  41   2.701  10.389   2.561
  343    HZ   PHE  41           HZ       PHE  41   3.776   8.781   4.087
  344    H    VAL  42           H        VAL  42  -4.054   7.309   4.002
  345    HA   VAL  42           HA       VAL  42  -5.529   6.026   2.075
  346    HB   VAL  42           HB       VAL  42  -5.982   5.779   4.472
  347   1HG1  VAL  42          1HG1      VAL  42  -5.752   8.107   5.148
  348   2HG1  VAL  42          3HG1      VAL  42  -7.221   8.522   4.263
  349   3HG1  VAL  42          2HG1      VAL  42  -7.307   7.458   5.667
  350   1HG2  VAL  42          3HG2      VAL  42  -8.379   6.684   2.879
  351   2HG2  VAL  42          2HG2      VAL  42  -7.681   5.064   2.891
  352   3HG2  VAL  42          1HG2      VAL  42  -8.434   5.711   4.348
  353    H    GLY  43           H        GLY  43  -7.019   6.561   0.565
  354   1HA   GLY  43           HA3      GLY  43  -8.265   9.176   0.551
  355   2HA   GLY  43           HA2      GLY  43  -8.565   7.870  -0.584
  356    H    LYS  44           H        LYS  44  -5.391   9.177   0.196
  357    HA   LYS  44           HA       LYS  44  -5.181  11.009  -1.917
  358   1HB   LYS  44           HB2      LYS  44  -2.997   9.440  -0.538
  359   2HB   LYS  44           HB3      LYS  44  -2.760  10.874  -1.518
  360   1HG   LYS  44           HG2      LYS  44  -4.164  12.140   0.096
  361   2HG   LYS  44           HG3      LYS  44  -4.200  10.697   1.113
  362   1HD   LYS  44           HD2      LYS  44  -1.758  10.747   1.270
  363   2HD   LYS  44           HD3      LYS  44  -1.723  12.191   0.255
  364   1HE   LYS  44           HE2      LYS  44  -3.046  11.958   2.953
  365   2HE   LYS  44           HE3      LYS  44  -1.508  12.755   2.623
  366   1HZ   LYS  44           HZ3      LYS  44  -2.671  14.325   1.199
  367   2HZ   LYS  44           HZ2      LYS  44  -4.146  13.561   1.521
  368   3HZ   LYS  44           HZ1      LYS  44  -3.313  14.348   2.765
  369    H    ASP  45           H        ASP  45  -3.533  10.763  -3.712
  370    HA   ASP  45           HA       ASP  45  -4.304   8.581  -5.372
  371   1HB   ASP  45           HB2      ASP  45  -2.374  10.871  -5.671
  372   2HB   ASP  45           HB3      ASP  45  -2.527   9.627  -6.901
  373    H    VAL  46           H        VAL  46  -1.105   9.663  -4.265
  374    HA   VAL  46           HA       VAL  46  -0.135   6.899  -4.513
  375    HB   VAL  46           HB       VAL  46   1.078   8.680  -5.769
  376   1HG1  VAL  46          3HG1      VAL  46   1.785   9.659  -3.009
  377   2HG1  VAL  46          2HG1      VAL  46   2.528  10.215  -4.510
  378   3HG1  VAL  46          1HG1      VAL  46   0.815  10.512  -4.212
  379   1HG2  VAL  46          3HG2      VAL  46   2.652   7.293  -3.602
  380   2HG2  VAL  46          2HG2      VAL  46   2.199   6.608  -5.163
  381   3HG2  VAL  46          1HG2      VAL  46   3.324   7.965  -5.087
  382    H    LEU  47           H        LEU  47   0.763   5.840  -2.830
  383    HA   LEU  47           HA       LEU  47   0.215   6.910  -0.185
  384   1HB   LEU  47           HB2      LEU  47   1.389   4.216  -0.740
  385   2HB   LEU  47           HB3      LEU  47   0.384   4.721   0.602
  386    HG   LEU  47           HG       LEU  47  -0.550   4.344  -2.244
  387   1HD1  LEU  47          2HD1      LEU  47  -0.004   2.248  -1.052
  388   2HD1  LEU  47          1HD1      LEU  47  -1.146   2.705   0.213
  389   3HD1  LEU  47          3HD1      LEU  47  -1.722   2.405  -1.427
  390   1HD2  LEU  47          3HD2      LEU  47  -2.080   5.060   0.251
  391   2HD2  LEU  47          2HD2      LEU  47  -1.799   6.102  -1.144
  392   3HD2  LEU  47          1HD2      LEU  47  -2.799   4.658  -1.308
  393    H    SER  48           H        SER  48   2.911   5.405  -1.903
  394    HA   SER  48           HA       SER  48   4.959   5.708  -0.124
  395   1HB   SER  48           HB2      SER  48   5.109   4.620  -2.366
  396   2HB   SER  48           HB3      SER  48   5.167   6.223  -3.098
  397    HG   SER  48           HG       SER  48   6.988   5.918  -1.093
  398    H    ASP  49           H        ASP  49   6.885   7.271  -0.445
  399    HA   ASP  49           HA       ASP  49   6.129   9.990  -1.105
  400   1HB   ASP  49           HB2      ASP  49   5.590   9.326   1.428
  401   2HB   ASP  49           HB3      ASP  49   7.303   9.703   1.610
  402    H    GLU  50           H        GLU  50   8.637   8.790   1.074
  403    HA   GLU  50           HA       GLU  50  10.669   9.237  -0.976
  404   1HB   GLU  50           HB2      GLU  50  11.953  10.693   0.430
  405   2HB   GLU  50           HB3      GLU  50  10.313  11.327   0.335
  406   1HG   GLU  50           HG2      GLU  50   9.793  10.403   2.510
  407   2HG   GLU  50           HG3      GLU  50  11.413   9.713   2.620
  408    H    ILE  51           H        ILE  51   9.774   7.960   2.168
  409    HA   ILE  51           HA       ILE  51  12.225   6.632   2.711
  410    HB   ILE  51           HB       ILE  51   9.509   5.869   3.769
  411   1HG1  ILE  51          2HG1      ILE  51   9.911   8.307   3.999
  412   2HG1  ILE  51          3HG1      ILE  51   9.833   7.477   5.545
  413   1HG2  ILE  51          2HG2      ILE  51  12.290   5.573   4.894
  414   2HG2  ILE  51          1HG2      ILE  51  10.801   5.155   5.742
  415   3HG2  ILE  51          3HG2      ILE  51  11.258   4.281   4.280
  416   1HD1  ILE  51          3HD1      ILE  51  12.361   8.303   4.139
  417   2HD1  ILE  51          2HD1      ILE  51  11.603   9.159   5.483
  418   3HD1  ILE  51          1HD1      ILE  51  12.250   7.536   5.723
  419    H    LEU  52           H        LEU  52   9.127   4.968   2.332
  420    HA   LEU  52           HA       LEU  52  10.523   2.799   0.935
  421   1HB   LEU  52           HB2      LEU  52   7.862   2.975   2.330
  422   2HB   LEU  52           HB3      LEU  52   8.278   1.619   1.304
  423    HG   LEU  52           HG       LEU  52   9.815   2.433   3.769
  424   1HD1  LEU  52          2HD1      LEU  52   7.788   0.241   3.341
  425   2HD1  LEU  52          1HD1      LEU  52   8.805   0.420   4.771
  426   3HD1  LEU  52          3HD1      LEU  52   7.611   1.655   4.380
  427   1HD2  LEU  52          1HD2      LEU  52  10.022   0.056   1.931
  428   2HD2  LEU  52          3HD2      LEU  52  11.241   1.298   2.216
  429   3HD2  LEU  52          2HD2      LEU  52  10.813   0.172   3.503
  430    H    GLU  53           H        GLU  53  10.453   2.808  -1.250
  431    HA   GLU  53           HA       GLU  53   8.585   4.343  -2.725
  432   1HB   GLU  53           HB2      GLU  53  10.904   3.492  -3.484
  433   2HB   GLU  53           HB3      GLU  53  10.078   1.989  -3.847
  434   1HG   GLU  53           HG2      GLU  53   8.681   3.020  -5.422
  435   2HG   GLU  53           HG3      GLU  53   9.191   4.627  -4.915
  436    H    VAL  54           H        VAL  54   6.602   3.712  -1.905
  437    HA   VAL  54           HA       VAL  54   5.775   0.940  -2.184
  438    HB   VAL  54           HB       VAL  54   4.164   3.222  -1.060
  439   1HG1  VAL  54          3HG1      VAL  54   2.860   1.269  -1.711
  440   2HG1  VAL  54          2HG1      VAL  54   3.914   0.236  -0.747
  441   3HG1  VAL  54          1HG1      VAL  54   2.904   1.444   0.043
  442   1HG2  VAL  54          3HG2      VAL  54   6.235   1.466   0.186
  443   2HG2  VAL  54          2HG2      VAL  54   5.970   3.198   0.378
  444   3HG2  VAL  54          1HG2      VAL  54   4.877   2.051   1.148
  445    H    VAL  55           H        VAL  55   5.483   0.630  -4.364
  446    HA   VAL  55           HA       VAL  55   3.575   2.316  -5.778
  447    HB   VAL  55           HB       VAL  55   4.978  -0.160  -6.770
  448   1HG1  VAL  55          1HG1      VAL  55   2.885   0.538  -7.931
  449   2HG1  VAL  55          3HG1      VAL  55   3.676   2.065  -8.326
  450   3HG1  VAL  55          2HG1      VAL  55   4.319   0.549  -8.960
  451   1HG2  VAL  55          3HG2      VAL  55   5.751   2.736  -7.102
  452   2HG2  VAL  55          2HG2      VAL  55   6.626   1.521  -6.169
  453   3HG2  VAL  55          1HG2      VAL  55   6.518   1.377  -7.923
  454    H    CYS  56           H        CYS  56   1.805   1.803  -4.475
  455    HA   CYS  56           HA       CYS  56   0.829  -0.952  -4.542
  456   1HB   CYS  56           HB2      CYS  56   0.852  -0.033  -2.335
  457   2HB   CYS  56           HB3      CYS  56   0.039   1.432  -2.872
  458    HG   CYS  56           HG       CYS  56  -2.005   0.343  -1.602
  459    H    LYS  57           H        LYS  57  -1.350  -1.406  -5.062
  460    HA   LYS  57           HA       LYS  57  -2.811   0.630  -6.548
  461   1HB   LYS  57           HB2      LYS  57  -2.052  -2.051  -7.695
  462   2HB   LYS  57           HB3      LYS  57  -3.196  -0.942  -8.427
  463   1HG   LYS  57           HG2      LYS  57  -1.495   0.674  -8.831
  464   2HG   LYS  57           HG3      LYS  57  -0.325  -0.236  -7.872
  465   1HD   LYS  57           HD2      LYS  57  -1.619  -1.323 -10.365
  466   2HD   LYS  57           HD3      LYS  57  -0.085  -0.449 -10.371
  467   1HE   LYS  57           HE2      LYS  57  -0.681  -3.003  -8.882
  468   2HE   LYS  57           HE3      LYS  57   0.296  -2.851 -10.342
  469   1HZ   LYS  57           HZ3      LYS  57   1.858  -1.480  -9.108
  470   2HZ   LYS  57           HZ2      LYS  57   0.923  -1.633  -7.707
  471   3HZ   LYS  57           HZ1      LYS  57   1.678  -2.993  -8.372
  472    H    TYR  58           H        TYR  58  -4.824   0.613  -5.970
  473    HA   TYR  58           HA       TYR  58  -5.915  -1.613  -4.447
  474   1HB   TYR  58           HB2      TYR  58  -6.144   0.802  -3.719
  475   2HB   TYR  58           HB3      TYR  58  -7.210   1.047  -5.097
  476    HD1  TYR  58           HD1      TYR  58  -8.975  -1.235  -5.092
  477    HD2  TYR  58           HD2      TYR  58  -7.365   0.918  -1.778
  478    HE1  TYR  58           HE1      TYR  58 -10.897  -1.920  -3.730
  479    HE2  TYR  58           HE2      TYR  58  -9.301   0.240  -0.416
  480    HH   TYR  58           HH       TYR  58 -11.468  -2.191  -1.356
  481    H    THR  59           H        THR  59  -6.749  -3.228  -5.628
  482    HA   THR  59           HA       THR  59  -8.048  -2.619  -8.181
  483    HB   THR  59           HB       THR  59  -7.294  -5.312  -7.018
  484    HG1  THR  59           HG1      THR  59  -5.772  -4.958  -8.998
  485   1HG2  THR  59          3HG2      THR  59  -9.137  -5.448  -8.623
  486   2HG2  THR  59          2HG2      THR  59  -8.191  -4.533  -9.797
  487   3HG2  THR  59          1HG2      THR  59  -7.662  -6.139  -9.299
  488    HA   PRO  60           HA       PRO  60 -11.900  -3.478  -5.987
  489   1HB   PRO  60           HB2      PRO  60 -13.261  -1.419  -6.945
  490   2HB   PRO  60           HB3      PRO  60 -11.938  -1.145  -5.807
  491   1HG   PRO  60           HG2      PRO  60 -12.048  -0.675  -8.737
  492   2HG   PRO  60           HG3      PRO  60 -11.098   0.164  -7.501
  493   1HD   PRO  60           HD2      PRO  60 -10.260  -1.965  -9.230
  494   2HD   PRO  60           HD3      PRO  60  -9.317  -1.125  -7.986
  495    H    THR  61           H        THR  61 -14.284  -2.992  -7.183
  496    HA   THR  61           HA       THR  61 -15.842  -3.869  -8.560
  497    HB   THR  61           HB       THR  61 -13.597  -3.464 -10.491
  498    HG1  THR  61           HG1      THR  61 -15.414  -1.838 -11.113
  499   1HG2  THR  61          3HG2      THR  61 -15.069  -5.238 -11.366
  500   2HG2  THR  61          2HG2      THR  61 -16.447  -4.154 -11.182
  501   3HG2  THR  61          1HG2      THR  61 -15.164  -3.762 -12.323
  502    HA   PRO  62           HA       PRO  62 -15.406  -8.267  -8.338
  503   1HB   PRO  62           HB2      PRO  62 -17.457  -8.904 -10.066
  504   2HB   PRO  62           HB3      PRO  62 -17.681  -8.476  -8.367
  505   1HG   PRO  62           HG2      PRO  62 -17.948  -6.756 -10.805
  506   2HG   PRO  62           HG3      PRO  62 -18.991  -6.835  -9.372
  507   1HD   PRO  62           HD2      PRO  62 -17.202  -4.863  -9.683
  508   2HD   PRO  62           HD3      PRO  62 -17.511  -5.582  -8.086
  509    H    SER  63           H        SER  63 -15.430 -10.182  -9.965
  510    HA   SER  63           HA       SER  63 -13.359  -9.740 -11.841
  511   1HB   SER  63           HB2      SER  63 -13.786 -12.130 -12.443
  512   2HB   SER  63           HB3      SER  63 -13.533 -11.869 -10.722
  513    HG   SER  63           HG       SER  63 -16.152 -11.662 -11.470
  514    H    SER  64           H        SER  64 -13.598  -8.793 -13.750
  515    HA   SER  64           HA       SER  64 -16.181  -8.968 -15.128
  516   1HB   SER  64           HB2      SER  64 -15.307  -6.708 -14.767
  517   2HB   SER  64           HB3      SER  64 -13.823  -7.133 -15.619
  518    HG   SER  64           HG       SER  64 -16.116  -6.253 -16.637
  519    H    THR  65           H        THR  65 -12.815  -9.824 -15.426
  520    HA   THR  65           HA       THR  65 -13.434 -11.606 -17.598
  521    HB   THR  65           HB       THR  65 -11.410  -9.416 -18.073
  522    HG1  THR  65           HG1      THR  65 -12.994  -9.035 -19.871
  523   1HG2  THR  65          3HG2      THR  65 -12.310 -11.695 -19.839
  524   2HG2  THR  65          2HG2      THR  65 -11.220 -10.394 -20.318
  525   3HG2  THR  65          1HG2      THR  65 -10.730 -11.540 -19.070
  526    HA   PRO  66           HA       PRO  66  -8.956 -12.423 -16.024
  527   1HB   PRO  66           HB2      PRO  66  -8.466 -10.569 -13.829
  528   2HB   PRO  66           HB3      PRO  66  -7.526 -10.819 -15.302
  529   1HG   PRO  66           HG2      PRO  66  -8.939  -8.554 -14.839
  530   2HG   PRO  66           HG3      PRO  66  -8.678  -9.206 -16.468
  531   1HD   PRO  66           HD2      PRO  66 -11.087  -9.451 -14.695
  532   2HD   PRO  66           HD3      PRO  66 -11.009  -9.103 -16.436
  533    H    MET  67           H        MET  67  -7.925 -12.949 -13.664
  534    HA   MET  67           HA       MET  67  -9.890 -13.452 -11.626
  535   1HB   MET  67           HB2      MET  67  -9.672 -15.910 -11.674
  536   2HB   MET  67           HB3      MET  67 -10.433 -15.285 -13.130
  537   1HG   MET  67           HG2      MET  67  -8.308 -15.493 -14.324
  538   2HG   MET  67           HG3      MET  67  -7.559 -16.137 -12.865
  539   1HE   MET  67           HE3      MET  67  -9.914 -17.943 -11.695
  540   2HE   MET  67           HE2      MET  67  -9.508 -19.511 -12.394
  541   3HE   MET  67           HE1      MET  67  -8.233 -18.469 -11.763
  542    H    VAL  68           H        VAL  68  -7.150 -12.305 -12.188
  543    HA   VAL  68           HA       VAL  68  -5.519 -13.889 -10.347
  544    HB   VAL  68           HB       VAL  68  -4.615 -13.098 -12.576
  545   1HG1  VAL  68          3HG1      VAL  68  -5.572 -10.857 -12.557
  546   2HG1  VAL  68          2HG1      VAL  68  -4.565 -10.429 -11.175
  547   3HG1  VAL  68          1HG1      VAL  68  -3.819 -10.798 -12.729
  548   1HG2  VAL  68          2HG2      VAL  68  -3.159 -13.877 -10.780
  549   2HG2  VAL  68          1HG2      VAL  68  -2.405 -12.565 -11.684
  550   3HG2  VAL  68          3HG2      VAL  68  -3.113 -12.251 -10.101
  551    H    GLY  69           H        GLY  69  -7.814 -12.244  -9.524
  552   1HA   GLY  69           HA3      GLY  69  -6.387 -10.592  -7.547
  553   2HA   GLY  69           HA2      GLY  69  -7.984 -11.291  -7.325
  554    H    VAL  70           H        VAL  70  -9.775 -10.344  -8.446
  555    HA   VAL  70           HA       VAL  70  -9.427  -7.477  -8.828
  556    HB   VAL  70           HB       VAL  70 -10.814  -9.205 -10.886
  557   1HG1  VAL  70          2HG1      VAL  70 -10.435  -6.216 -10.739
  558   2HG1  VAL  70          1HG1      VAL  70 -11.081  -7.089 -12.129
  559   3HG1  VAL  70          3HG1      VAL  70 -11.959  -7.094 -10.599
  560   1HG2  VAL  70          2HG2      VAL  70  -8.392  -9.357 -11.073
  561   2HG2  VAL  70          1HG2      VAL  70  -9.064  -8.435 -12.419
  562   3HG2  VAL  70          3HG2      VAL  70  -8.270  -7.598 -11.086
  563    H    GLY  71           H        GLY  71 -10.544  -7.303  -6.857
  564   1HA   GLY  71           HA3      GLY  71 -13.177  -8.425  -6.560
  565   2HA   GLY  71           HA2      GLY  71 -13.169  -6.701  -6.888
  566    H    GLY  72           H        GLY  72 -10.835  -6.032  -5.481
  567   1HA   GLY  72           HA3      GLY  72 -11.661  -6.610  -2.711
  568   2HA   GLY  72           HA2      GLY  72 -11.177  -5.007  -3.231
  569    H    ILE  73           H        ILE  73  -9.042  -6.098  -4.918
  570    HA   ILE  73           HA       ILE  73  -7.227  -7.380  -3.064
  571    HB   ILE  73           HB       ILE  73  -7.317  -6.979  -5.937
  572   1HG1  ILE  73          2HG1      ILE  73  -7.453  -9.125  -4.633
  573   2HG1  ILE  73          3HG1      ILE  73  -6.324  -9.132  -5.986
  574   1HG2  ILE  73          3HG2      ILE  73  -5.404  -5.493  -5.450
  575   2HG2  ILE  73          2HG2      ILE  73  -4.585  -6.861  -4.695
  576   3HG2  ILE  73          1HG2      ILE  73  -4.973  -6.906  -6.414
  577   1HD1  ILE  73          2HD1      ILE  73  -5.540  -8.699  -3.108
  578   2HD1  ILE  73          1HD1      ILE  73  -5.435 -10.236  -3.967
  579   3HD1  ILE  73          3HD1      ILE  73  -4.456  -8.867  -4.490
  580    H    TYR  74           H        TYR  74  -5.057  -6.576  -2.813
  581    HA   TYR  74           HA       TYR  74  -4.716  -3.683  -2.895
  582   1HB   TYR  74           HB2      TYR  74  -4.240  -5.208  -0.328
  583   2HB   TYR  74           HB3      TYR  74  -4.183  -3.466  -0.571
  584    HD1  TYR  74           HD1      TYR  74  -6.281  -6.307   0.175
  585    HD2  TYR  74           HD2      TYR  74  -6.313  -2.217  -0.976
  586    HE1  TYR  74           HE1      TYR  74  -8.627  -6.146   0.853
  587    HE2  TYR  74           HE2      TYR  74  -8.667  -2.048  -0.288
  588    HH   TYR  74           HH       TYR  74 -10.229  -4.419   1.556
  589    H    VAL  75           H        VAL  75  -3.189  -4.351  -4.541
  590    HA   VAL  75           HA       VAL  75  -0.941  -5.978  -3.709
  591    HB   VAL  75           HB       VAL  75  -1.661  -6.367  -5.946
  592   1HG1  VAL  75          1HG1      VAL  75  -2.827  -4.271  -6.347
  593   2HG1  VAL  75          3HG1      VAL  75  -1.285  -3.421  -6.449
  594   3HG1  VAL  75          2HG1      VAL  75  -1.706  -4.627  -7.662
  595   1HG2  VAL  75          1HG2      VAL  75   0.763  -6.401  -5.569
  596   2HG2  VAL  75          3HG2      VAL  75   0.357  -5.947  -7.222
  597   3HG2  VAL  75          2HG2      VAL  75   0.857  -4.713  -6.066
  598    H    VAL  76           H        VAL  76   0.462  -5.042  -2.421
  599    HA   VAL  76           HA       VAL  76   1.240  -2.249  -2.918
  600    HB   VAL  76           HB       VAL  76   1.753  -3.872  -0.429
  601   1HG1  VAL  76          2HG1      VAL  76   1.871  -0.912  -0.984
  602   2HG1  VAL  76          1HG1      VAL  76   2.083  -1.660   0.599
  603   3HG1  VAL  76          3HG1      VAL  76   3.240  -1.984  -0.693
  604   1HG2  VAL  76          2HG2      VAL  76  -0.665  -3.655  -0.871
  605   2HG2  VAL  76          1HG2      VAL  76  -0.154  -2.782   0.575
  606   3HG2  VAL  76          3HG2      VAL  76  -0.476  -1.903  -0.919
  607    H    LEU  77           H        LEU  77   3.104  -1.983  -3.994
  608    HA   LEU  77           HA       LEU  77   5.219  -4.000  -3.702
  609   1HB   LEU  77           HB2      LEU  77   4.837  -1.773  -5.702
  610   2HB   LEU  77           HB3      LEU  77   6.305  -2.729  -5.599
  611    HG   LEU  77           HG       LEU  77   3.539  -3.670  -6.371
  612   1HD1  LEU  77          2HD1      LEU  77   4.811  -2.572  -8.135
  613   2HD1  LEU  77          1HD1      LEU  77   6.171  -3.657  -7.842
  614   3HD1  LEU  77          3HD1      LEU  77   4.647  -4.298  -8.456
  615   1HD2  LEU  77          2HD2      LEU  77   5.786  -5.149  -5.232
  616   2HD2  LEU  77          1HD2      LEU  77   4.093  -5.608  -5.405
  617   3HD2  LEU  77          3HD2      LEU  77   5.200  -5.801  -6.764
  618    H    VAL  78           H        VAL  78   6.344  -3.529  -1.890
  619    HA   VAL  78           HA       VAL  78   7.004  -0.732  -1.367
  620    HB   VAL  78           HB       VAL  78   8.047  -2.613   0.577
  621   1HG1  VAL  78          3HG1      VAL  78   7.741  -0.171   0.891
  622   2HG1  VAL  78          2HG1      VAL  78   5.992  -0.400   0.801
  623   3HG1  VAL  78          1HG1      VAL  78   6.914  -1.123   2.122
  624   1HG2  VAL  78          3HG2      VAL  78   5.093  -2.670  -0.014
  625   2HG2  VAL  78          2HG2      VAL  78   6.218  -4.029  -0.053
  626   3HG2  VAL  78          1HG2      VAL  78   5.820  -3.256   1.483
  627    H    LYS  79           H        LYS  79   8.773   0.043  -2.179
  628    HA   LYS  79           HA       LYS  79  11.148  -1.677  -2.443
  629   1HB   LYS  79           HB2      LYS  79   9.937   0.356  -4.263
  630   2HB   LYS  79           HB3      LYS  79  11.682   0.177  -4.267
  631   1HG   LYS  79           HG2      LYS  79  11.393  -2.231  -4.763
  632   2HG   LYS  79           HG3      LYS  79   9.640  -1.972  -4.853
  633   1HD   LYS  79           HD2      LYS  79  11.653  -0.512  -6.565
  634   2HD   LYS  79           HD3      LYS  79  10.813  -1.981  -7.067
  635   1HE   LYS  79           HE2      LYS  79   9.510   0.628  -6.298
  636   2HE   LYS  79           HE3      LYS  79   9.712   0.018  -7.940
  637   1HZ   LYS  79           HZ3      LYS  79   8.313  -1.869  -7.370
  638   2HZ   LYS  79           HZ2      LYS  79   8.117  -1.279  -5.797
  639   3HZ   LYS  79           HZ1      LYS  79   7.490  -0.413  -7.108
  640    HA   PRO  80           HA       PRO  80  12.227   1.373   0.828
  641   1HB   PRO  80           HB2      PRO  80  14.746   0.128   1.080
  642   2HB   PRO  80           HB3      PRO  80  13.342  -0.093   2.123
  643   1HG   PRO  80           HG2      PRO  80  14.328  -1.780  -0.109
  644   2HG   PRO  80           HG3      PRO  80  13.454  -2.248   1.360
  645   1HD   PRO  80           HD2      PRO  80  12.245  -2.188  -1.040
  646   2HD   PRO  80           HD3      PRO  80  11.388  -1.744   0.452
  647    H    ARG  81           H        ARG  81  12.697   3.290  -0.003
  648    HA   ARG  81           HA       ARG  81  14.595   3.635  -2.134
  649   1HB   ARG  81           HB2      ARG  81  12.713   5.376  -0.634
  650   2HB   ARG  81           HB3      ARG  81  14.075   6.147  -1.426
  651   1HG   ARG  81           HG2      ARG  81  13.381   5.335  -3.562
  652   2HG   ARG  81           HG3      ARG  81  12.139   4.319  -2.826
  653   1HD   ARG  81           HD2      ARG  81  11.036   6.352  -1.978
  654   2HD   ARG  81           HD3      ARG  81  12.231   7.329  -2.825
  655    HE   ARG  81           HE       ARG  81  10.956   5.531  -4.605
  656   1HH1  ARG  81          1HH1      ARG  81  10.453   8.508  -2.868
  657   2HH1  ARG  81          2HH1      ARG  81   9.303   9.128  -4.005
  658   1HH2  ARG  81          1HH2      ARG  81   9.444   6.338  -6.108
  659   2HH2  ARG  81          2HH2      ARG  81   8.729   7.894  -5.847
  660    H    LYS  82           H        LYS  82  14.440   4.312   1.325
  661    HA   LYS  82           HA       LYS  82  17.254   5.170   1.261
  662   1HB   LYS  82           HB2      LYS  82  15.196   5.601   3.435
  663   2HB   LYS  82           HB3      LYS  82  16.834   6.239   3.415
  664   1HG   LYS  82           HG2      LYS  82  16.279   7.558   1.418
  665   2HG   LYS  82           HG3      LYS  82  14.625   6.946   1.494
  666   1HD   LYS  82           HD2      LYS  82  14.374   7.944   3.726
  667   2HD   LYS  82           HD3      LYS  82  16.014   8.585   3.613
  668   1HE   LYS  82           HE2      LYS  82  13.722   9.259   1.772
  669   2HE   LYS  82           HE3      LYS  82  14.346  10.286   3.063
  670   1HZ   LYS  82           HZ2      LYS  82  16.470  10.380   1.909
  671   2HZ   LYS  82           HZ1      LYS  82  15.865   9.402   0.668
  672   3HZ   LYS  82           HZ3      LYS  82  15.222  10.948   0.917
  673    H    ARG  83           H        ARG  83  18.335   4.669   3.512
  674    HA   ARG  83           HA       ARG  83  17.882   1.811   4.059
  675   1HB   ARG  83           HB2      ARG  83  20.444   3.374   4.385
  676   2HB   ARG  83           HB3      ARG  83  20.242   1.640   4.579
  677   1HG   ARG  83           HG2      ARG  83  19.855   1.339   2.257
  678   2HG   ARG  83           HG3      ARG  83  19.728   3.079   1.991
  679   1HD   ARG  83           HD2      ARG  83  22.069   3.354   2.597
  680   2HD   ARG  83           HD3      ARG  83  22.206   1.623   2.900
  681    HE   ARG  83           HE       ARG  83  21.293   1.981   0.284
  682   1HH1  ARG  83          1HH1      ARG  83  24.148   2.574   2.192
  683   2HH1  ARG  83          2HH1      ARG  83  25.232   2.430   0.849
  684   1HH2  ARG  83          1HH2      ARG  83  22.713   1.790  -1.490
  685   2HH2  ARG  83          2HH2      ARG  83  24.416   1.986  -1.245
  686    H    GLY  84           H        GLY  84  18.043   1.058   6.210
  687   1HA   GLY  84           HA3      GLY  84  17.784   3.194   8.240
  688   2HA   GLY  84           HA2      GLY  84  18.662   1.704   8.549
  689    H    HIS  85           H        HIS  85  16.558   2.620  10.161
  690    HA   HIS  85           HA       HIS  85  14.912   0.295  10.201
  691   1HB   HIS  85           HB2      HIS  85  14.682   2.866  11.780
  692   2HB   HIS  85           HB3      HIS  85  13.805   1.379  12.123
  693    HD1  HIS  85           HD1      HIS  85  17.012   3.075  12.706
  694    HD2  HIS  85           HD2      HIS  85  15.476  -0.770  13.063
  695    HE1  HIS  85           HE1      HIS  85  18.651   1.827  14.149
  696    HE2  HIS  85           HE2      HIS  85  17.746  -0.521  14.277
  697    H    HIS  86           H        HIS  86  13.574   0.101   8.476
  698    HA   HIS  86           HA       HIS  86  11.541   2.201   8.167
  699   1HB   HIS  86           HB2      HIS  86  12.943   0.698   5.952
  700   2HB   HIS  86           HB3      HIS  86  11.514   1.701   5.716
  701    HD1  HIS  86           HD1      HIS  86  12.743   3.872   7.867
  702    HD2  HIS  86           HD2      HIS  86  14.414   2.493   4.321
  703    HE1  HIS  86           HE1      HIS  86  14.373   5.649   7.156
  704    HE2  HIS  86           HE2      HIS  86  15.434   4.752   5.054
  705    H    THR  87           H        THR  87   9.490   1.501   7.402
  706    HA   THR  87           HA       THR  87   8.932  -1.306   7.143
  707    HB   THR  87           HB       THR  87   8.002   0.193   9.591
  708    HG1  THR  87           HG1      THR  87   9.849  -0.819  10.115
  709   1HG2  THR  87          3HG2      THR  87   6.116  -1.015   8.592
  710   2HG2  THR  87          2HG2      THR  87   7.076  -2.494   8.576
  711   3HG2  THR  87          1HG2      THR  87   6.626  -1.754  10.110
  712    H    LEU  88           H        LEU  88   7.055  -1.673   6.056
  713    HA   LEU  88           HA       LEU  88   5.756   0.607   4.890
  714   1HB   LEU  88           HB2      LEU  88   5.993  -1.318   3.509
  715   2HB   LEU  88           HB3      LEU  88   5.233  -2.345   4.702
  716    HG   LEU  88           HG       LEU  88   3.104  -1.042   4.332
  717   1HD1  LEU  88          1HD1      LEU  88   4.123   0.947   3.339
  718   2HD1  LEU  88          3HD1      LEU  88   4.623  -0.009   1.944
  719   3HD1  LEU  88          2HD1      LEU  88   2.909   0.238   2.275
  720   1HD2  LEU  88          2HD2      LEU  88   3.637  -3.273   3.325
  721   2HD2  LEU  88          1HD2      LEU  88   2.477  -2.302   2.420
  722   3HD2  LEU  88          3HD2      LEU  88   4.148  -2.417   1.872
  723    H    GLU  89           H        GLU  89   4.369   1.780   5.995
  724    HA   GLU  89           HA       GLU  89   2.795   0.614   8.124
  725   1HB   GLU  89           HB2      GLU  89   2.967   3.456   7.120
  726   2HB   GLU  89           HB3      GLU  89   2.095   2.933   8.555
  727   1HG   GLU  89           HG2      GLU  89   4.183   2.159   9.537
  728   2HG   GLU  89           HG3      GLU  89   5.060   2.716   8.115
  729    H    LEU  90           H        LEU  90   1.217  -0.634   7.243
  730    HA   LEU  90           HA       LEU  90  -0.605   0.601   5.302
  731   1HB   LEU  90           HB2      LEU  90  -0.339  -2.269   6.201
  732   2HB   LEU  90           HB3      LEU  90  -1.540  -1.697   5.061
  733    HG   LEU  90           HG       LEU  90   1.445  -1.841   4.674
  734   1HD1  LEU  90          2HD1      LEU  90   0.123  -3.895   4.316
  735   2HD1  LEU  90          1HD1      LEU  90  -0.838  -3.037   3.113
  736   3HD1  LEU  90          3HD1      LEU  90   0.885  -3.302   2.841
  737   1HD2  LEU  90          2HD2      LEU  90  -0.611  -0.497   2.929
  738   2HD2  LEU  90          1HD2      LEU  90   0.740   0.274   3.759
  739   3HD2  LEU  90          3HD2      LEU  90   1.045  -0.860   2.443
  740    H    VAL  91           H        VAL  91  -3.006  -0.061   5.693
  741    HA   VAL  91           HA       VAL  91  -3.785  -0.438   8.426
  742    HB   VAL  91           HB       VAL  91  -3.024   1.906   8.504
  743   1HG1  VAL  91          2HG1      VAL  91  -5.161   2.350   6.420
  744   2HG1  VAL  91          1HG1      VAL  91  -4.296   3.628   7.277
  745   3HG1  VAL  91          3HG1      VAL  91  -3.417   2.536   6.206
  746   1HG2  VAL  91          1HG2      VAL  91  -5.987   1.464   8.809
  747   2HG2  VAL  91          3HG2      VAL  91  -4.741   1.325  10.049
  748   3HG2  VAL  91          2HG2      VAL  91  -5.148   2.904   9.381
  749    H    TYR  92           H        TYR  92  -6.030  -0.615   8.717
  750    HA   TYR  92           HA       TYR  92  -7.590  -0.886   6.241
  751   1HB   TYR  92           HB2      TYR  92  -7.269  -2.834   7.930
  752   2HB   TYR  92           HB3      TYR  92  -8.409  -1.950   8.938
  753    HD1  TYR  92           HD1      TYR  92 -10.236  -3.423   8.955
  754    HD2  TYR  92           HD2      TYR  92  -8.514  -2.275   5.238
  755    HE1  TYR  92           HE1      TYR  92 -12.106  -4.488   7.766
  756    HE2  TYR  92           HE2      TYR  92 -10.380  -3.335   4.039
  757    HH   TYR  92           HH       TYR  92 -12.060  -5.086   4.426
  758    H    THR  93           H        THR  93  -8.028   1.362   6.081
  759    HA   THR  93           HA       THR  93  -9.853   2.419   8.149
  760    HB   THR  93           HB       THR  93  -7.752   3.596   8.273
  761    HG1  THR  93           HG1      THR  93  -8.929   5.634   6.995
  762   1HG2  THR  93          3HG2      THR  93  -8.132   3.998   5.304
  763   2HG2  THR  93          2HG2      THR  93  -6.962   4.899   6.273
  764   3HG2  THR  93          1HG2      THR  93  -6.816   3.148   6.112
  765    H    ARG  94           H        ARG  94 -11.565   3.717   7.503
  766    HA   ARG  94           HA       ARG  94 -12.482   3.318   4.781
  767   1HB   ARG  94           HB2      ARG  94 -13.804   4.753   7.096
  768   2HB   ARG  94           HB3      ARG  94 -14.566   4.368   5.560
  769   1HG   ARG  94           HG2      ARG  94 -14.316   1.985   6.032
  770   2HG   ARG  94           HG3      ARG  94 -13.563   2.377   7.578
  771   1HD   ARG  94           HD2      ARG  94 -15.915   1.823   7.875
  772   2HD   ARG  94           HD3      ARG  94 -15.606   3.508   8.293
  773    HE   ARG  94           HE       ARG  94 -16.389   3.415   5.616
  774   1HH1  ARG  94          1HH1      ARG  94 -17.725   2.793   8.775
  775   2HH1  ARG  94          2HH1      ARG  94 -19.345   3.188   8.308
  776   1HH2  ARG  94          1HH2      ARG  94 -18.520   3.936   4.994
  777   2HH2  ARG  94          2HH2      ARG  94 -19.797   3.837   6.159
  778    HA   PRO  95           HA       PRO  95 -10.352   7.226   3.744
  779   1HB   PRO  95           HB2      PRO  95 -11.376   7.108   1.131
  780   2HB   PRO  95           HB3      PRO  95  -9.790   6.547   1.661
  781   1HG   PRO  95           HG2      PRO  95 -12.283   5.000   1.196
  782   2HG   PRO  95           HG3      PRO  95 -10.597   4.516   0.952
  783   1HD   PRO  95           HD2      PRO  95 -12.031   3.621   3.026
  784   2HD   PRO  95           HD3      PRO  95 -10.302   3.981   3.168
  785    H    PHE  96           H        PHE  96 -13.688   6.369   2.887
  786    HA   PHE  96           HA       PHE  96 -14.492   9.096   2.553
  787   1HB   PHE  96           HB2      PHE  96 -16.010   6.491   2.664
  788   2HB   PHE  96           HB3      PHE  96 -16.755   8.045   2.346
  789    HD1  PHE  96           HD1      PHE  96 -16.646   9.056   0.208
  790    HD2  PHE  96           HD2      PHE  96 -14.363   5.566   1.057
  791    HE1  PHE  96           HE1      PHE  96 -16.134   8.814  -2.186
  792    HE2  PHE  96           HE2      PHE  96 -13.846   5.318  -1.335
  793    HZ   PHE  96           HZ       PHE  96 -14.731   6.942  -2.961
  794    H    GLU  97           H        GLU  97 -13.565   7.725   5.253
  795    HA   GLU  97           HA       GLU  97 -15.440   9.244   6.885
  796   1HB   GLU  97           HB2      GLU  97 -14.956   6.286   7.211
  797   2HB   GLU  97           HB3      GLU  97 -15.596   7.290   8.504
  798   1HG   GLU  97           HG2      GLU  97 -16.881   7.011   5.799
  799   2HG   GLU  97           HG3      GLU  97 -17.307   6.036   7.204
  800    H    GLY  98           H        GLY  98 -12.355   8.553   6.108
  801   1HA   GLY  98           HA3      GLY  98 -11.345   9.737   8.544
  802   2HA   GLY  98           HA2      GLY  98 -10.400   9.319   7.120
  803    H    ILE  99           H        ILE  99  -9.192   8.797   9.377
  804    HA   ILE  99           HA       ILE  99  -9.379   5.875   9.590
  805    HB   ILE  99           HB       ILE  99  -7.020   7.509  10.460
  806   1HG1  ILE  99          2HG1      ILE  99  -7.413   6.337   7.702
  807   2HG1  ILE  99          3HG1      ILE  99  -7.659   8.041   8.074
  808   1HG2  ILE  99          1HG2      ILE  99  -7.565   4.640   9.808
  809   2HG2  ILE  99          3HG2      ILE  99  -5.927   5.283   9.687
  810   3HG2  ILE  99          2HG2      ILE  99  -6.782   5.336  11.229
  811   1HD1  ILE  99          2HD1      ILE  99  -5.313   8.213   8.758
  812   2HD1  ILE  99          1HD1      ILE  99  -5.078   6.512   8.352
  813   3HD1  ILE  99          3HD1      ILE  99  -5.478   7.675   7.087
  814    H    LYS 100           H        LYS 100  -9.248   4.847  11.583
  815    HA   LYS 100           HA       LYS 100  -9.572   6.546  13.964
  816   1HB   LYS 100           HB2      LYS 100 -11.140   4.004  13.629
  817   2HB   LYS 100           HB3      LYS 100 -11.436   5.346  14.725
  818   1HG   LYS 100           HG2      LYS 100 -12.105   6.748  12.852
  819   2HG   LYS 100           HG3      LYS 100 -11.799   5.413  11.739
  820   1HD   LYS 100           HD2      LYS 100 -13.790   4.508  12.161
  821   2HD   LYS 100           HD3      LYS 100 -13.524   4.593  13.904
  822   1HE   LYS 100           HE2      LYS 100 -14.203   6.954  13.873
  823   2HE   LYS 100           HE3      LYS 100 -14.517   6.828  12.141
  824   1HZ   LYS 100           HZ2      LYS 100 -16.201   5.154  12.610
  825   2HZ   LYS 100           HZ1      LYS 100 -15.904   5.288  14.270
  826   3HZ   LYS 100           HZ3      LYS 100 -16.549   6.599  13.417
  827    HA   PRO 101           HA       PRO 101  -6.593   4.069  16.046
  828   1HB   PRO 101           HB2      PRO 101  -8.584   3.669  18.221
  829   2HB   PRO 101           HB3      PRO 101  -6.940   4.306  18.304
  830   1HG   PRO 101           HG2      PRO 101  -9.026   5.943  18.493
  831   2HG   PRO 101           HG3      PRO 101  -7.585   6.421  17.577
  832   1HD   PRO 101           HD2      PRO 101 -10.233   5.442  16.585
  833   2HD   PRO 101           HD3      PRO 101  -9.184   6.716  15.930
  834    H    GLU 102           H        GLU 102  -9.886   2.760  16.350
  835    HA   GLU 102           HA       GLU 102  -9.138   0.104  16.846
  836   1HB   GLU 102           HB2      GLU 102 -11.477  -0.439  16.151
  837   2HB   GLU 102           HB3      GLU 102 -11.343   0.800  17.395
  838   1HG   GLU 102           HG2      GLU 102 -11.627   2.524  15.704
  839   2HG   GLU 102           HG3      GLU 102 -11.771   1.283  14.464
  840    H    ASN 103           H        ASN 103  -8.946   1.896  13.976
  841    HA   ASN 103           HA       ASN 103  -9.505  -0.068  12.046
  842   1HB   ASN 103           HB2      ASN 103  -7.664   2.324  11.953
  843   2HB   ASN 103           HB3      ASN 103  -8.019   1.318  10.554
  844   1HD2  ASN 103          1HD2      ASN 103 -10.488   1.841  12.910
  845   2HD2  ASN 103          2HD2      ASN 103 -11.443   2.932  11.973
  846    H    GLU 104           H        GLU 104  -8.334  -1.667  11.135
  847    HA   GLU 104           HA       GLU 104  -6.250  -2.868  12.533
  848   1HB   GLU 104           HB2      GLU 104  -7.939  -3.700  10.649
  849   2HB   GLU 104           HB3      GLU 104  -6.548  -3.387   9.619
  850   1HG   GLU 104           HG2      GLU 104  -5.282  -5.021  10.596
  851   2HG   GLU 104           HG3      GLU 104  -6.211  -4.994  12.094
  852    H    ARG 105           H        ARG 105  -4.198  -3.561  11.105
  853    HA   ARG 105           HA       ARG 105  -3.009  -1.458   9.565
  854   1HB   ARG 105           HB2      ARG 105  -2.384  -0.274  11.411
  855   2HB   ARG 105           HB3      ARG 105  -2.521  -1.664  12.476
  856   1HG   ARG 105           HG2      ARG 105  -0.284  -1.429  12.595
  857   2HG   ARG 105           HG3      ARG 105  -0.329  -2.373  11.103
  858   1HD   ARG 105           HD2      ARG 105   0.148  -0.562   9.782
  859   2HD   ARG 105           HD3      ARG 105  -0.566   0.588  10.912
  860    HE   ARG 105           HE       ARG 105   1.866  -0.724  11.805
  861   1HH1  ARG 105          1HH1      ARG 105   0.422   2.064  10.296
  862   2HH1  ARG 105          2HH1      ARG 105   1.774   3.097  10.616
  863   1HH2  ARG 105          1HH2      ARG 105   3.650   0.629  12.231
  864   2HH2  ARG 105          2HH2      ARG 105   3.609   2.281  11.715
  865    H    TYR 106           H        TYR 106  -0.781  -2.034   8.887
  866    HA   TYR 106           HA       TYR 106   0.116  -4.727   9.458
  867   1HB   TYR 106           HB2      TYR 106  -1.376  -5.235   7.644
  868   2HB   TYR 106           HB3      TYR 106  -0.722  -3.925   6.665
  869    HD1  TYR 106           HD1      TYR 106  -0.424  -7.357   7.672
  870    HD2  TYR 106           HD2      TYR 106   1.646  -4.149   5.798
  871    HE1  TYR 106           HE1      TYR 106   1.162  -8.953   6.706
  872    HE2  TYR 106           HE2      TYR 106   3.245  -5.741   4.825
  873    HH   TYR 106           HH       TYR 106   4.089  -8.009   5.269
  874    H    THR 107           H        THR 107   2.171  -4.489   9.900
  875    HA   THR 107           HA       THR 107   3.700  -2.371   8.585
  876    HB   THR 107           HB       THR 107   5.297  -3.278  10.571
  877    HG1  THR 107           HG1      THR 107   3.811  -4.724  11.412
  878   1HG2  THR 107          3HG2      THR 107   4.654  -0.940  10.174
  879   2HG2  THR 107          2HG2      THR 107   3.070  -1.263  10.875
  880   3HG2  THR 107          1HG2      THR 107   4.514  -1.359  11.880
  881    H    LEU 108           H        LEU 108   5.371  -2.837   7.247
  882    HA   LEU 108           HA       LEU 108   6.107  -5.666   6.961
  883   1HB   LEU 108           HB2      LEU 108   5.318  -4.441   4.943
  884   2HB   LEU 108           HB3      LEU 108   6.714  -3.389   5.081
  885    HG   LEU 108           HG       LEU 108   8.214  -5.254   4.672
  886   1HD1  LEU 108          2HD1      LEU 108   5.714  -6.931   4.506
  887   2HD1  LEU 108          1HD1      LEU 108   7.340  -7.472   4.090
  888   3HD1  LEU 108          3HD1      LEU 108   6.959  -7.027   5.753
  889   1HD2  LEU 108          3HD2      LEU 108   7.299  -4.035   2.752
  890   2HD2  LEU 108          2HD2      LEU 108   7.627  -5.724   2.364
  891   3HD2  LEU 108          1HD2      LEU 108   5.972  -5.192   2.660
  892    H    HIS 109           H        HIS 109   7.738  -6.252   8.088
  893    HA   HIS 109           HA       HIS 109   9.626  -4.759   9.422
  894   1HB   HIS 109           HB2      HIS 109  10.866  -6.997   9.471
  895   2HB   HIS 109           HB3      HIS 109   9.226  -6.986  10.087
  896    HD1  HIS 109           HD1      HIS 109  11.368  -8.424   7.438
  897    HD2  HIS 109           HD2      HIS 109   7.335  -8.317   8.426
  898    HE1  HIS 109           HE1      HIS 109  10.286 -10.210   6.038
  899    HE2  HIS 109           HE2      HIS 109   7.859 -10.182   6.713
  900    H    LEU 110           H        LEU 110  10.338  -3.203   7.526
  901    HA   LEU 110           HA       LEU 110  12.494  -4.526   6.009
  902   1HB   LEU 110           HB2      LEU 110  11.213  -1.918   5.245
  903   2HB   LEU 110           HB3      LEU 110  12.274  -2.922   4.288
  904    HG   LEU 110           HG       LEU 110   9.499  -3.747   5.125
  905   1HD1  LEU 110          3HD1      LEU 110  10.494  -2.563   2.539
  906   2HD1  LEU 110          2HD1      LEU 110   8.911  -3.310   2.760
  907   3HD1  LEU 110          1HD1      LEU 110   9.330  -1.850   3.655
  908   1HD2  LEU 110          3HD2      LEU 110  11.017  -5.609   4.693
  909   2HD2  LEU 110          2HD2      LEU 110   9.787  -5.485   3.436
  910   3HD2  LEU 110          1HD2      LEU 110  11.426  -4.917   3.123
  911    H    ASN 111           H        ASN 111  13.716  -4.147   8.097
  912    HA   ASN 111           HA       ASN 111  14.620  -1.440   8.553
  913   1HB   ASN 111           HB2      ASN 111  14.435  -2.934  10.471
  914   2HB   ASN 111           HB3      ASN 111  15.528  -4.086   9.718
  915   1HD2  ASN 111          1HD2      ASN 111  16.092  -0.681   9.470
  916   2HD2  ASN 111          2HD2      ASN 111  17.452  -0.620  10.531
  917    H    VAL 112           H        VAL 112  15.110  -1.575   6.113
  918    HA   VAL 112           HA       VAL 112  17.028  -2.953   4.843
  919    HB   VAL 112           HB       VAL 112  17.555  -0.618   3.736
  920   1HG1  VAL 112          3HG1      VAL 112  16.198  -2.577   2.877
  921   2HG1  VAL 112          2HG1      VAL 112  14.777  -1.735   3.501
  922   3HG1  VAL 112          1HG1      VAL 112  15.770  -0.988   2.246
  923   1HG2  VAL 112          3HG2      VAL 112  16.272   0.415   5.787
  924   2HG2  VAL 112          2HG2      VAL 112  16.138   1.122   4.180
  925   3HG2  VAL 112          1HG2      VAL 112  14.864   0.065   4.790
  926    H    LYS 113           H        LYS 113  19.217  -2.979   4.621
  927    HA   LYS 113           HA       LYS 113  20.745  -1.530   6.671
  928   1HB   LYS 113           HB2      LYS 113  21.417  -4.014   5.089
  929   2HB   LYS 113           HB3      LYS 113  22.485  -3.252   6.260
  930   1HG   LYS 113           HG2      LYS 113  19.735  -4.156   7.020
  931   2HG   LYS 113           HG3      LYS 113  21.105  -5.265   7.010
  932   1HD   LYS 113           HD2      LYS 113  22.300  -3.807   8.571
  933   2HD   LYS 113           HD3      LYS 113  20.936  -2.687   8.569
  934   1HE   LYS 113           HE2      LYS 113  20.888  -4.105  10.545
  935   2HE   LYS 113           HE3      LYS 113  19.500  -4.425   9.506
  936   1HZ   LYS 113           HZ1      LYS 113  21.974  -6.065   9.633
  937   2HZ   LYS 113           HZ3      LYS 113  20.485  -6.472  10.326
  938   3HZ   LYS 113           HZ2      LYS 113  20.637  -6.374   8.645

  No H/Q in entry =         938
  Start of MODEL   32
    1    H1   GLY  -2           HT1      GLY  -2 -16.774 -24.533  14.104
    2    H2   GLY  -2           HT3      GLY  -2 -18.354 -24.033  14.447
    3    H3   GLY  -2           HT2      GLY  -2 -18.018 -24.848  13.003
    4   1HA   GLY  -2           HA2      GLY  -2 -17.018 -22.154  13.750
    5   2HA   GLY  -2           HA3      GLY  -2 -18.309 -22.482  12.605
    6    H    SER  -1           H        SER  -1 -15.239 -21.547  12.728
    7    HA   SER  -1           HA       SER  -1 -14.296 -23.149  10.470
    8   1HB   SER  -1           HB2      SER  -1 -15.451 -21.249   9.449
    9   2HB   SER  -1           HB3      SER  -1 -14.503 -20.129  10.427
   10    HG   SER  -1           HG       SER  -1 -13.510 -21.911   8.453
   11    H    HIS   0           H        HIS   0 -13.708 -22.007  13.429
   12    HA   HIS   0           HA       HIS   0 -11.865 -21.723  14.727
   13   1HB   HIS   0           HB2      HIS   0 -10.483 -23.095  12.411
   14   2HB   HIS   0           HB3      HIS   0  -9.796 -22.867  14.016
   15    HD1  HIS   0           HD1      HIS   0 -11.917 -25.119  12.060
   16    HD2  HIS   0           HD2      HIS   0 -11.162 -24.377  16.077
   17    HE1  HIS   0           HE1      HIS   0 -12.814 -27.118  13.292
   18    HE2  HIS   0           HE2      HIS   0 -12.426 -26.607  15.729
   19    H    MET   1           H        MET   1 -12.611 -19.669  12.709
   20    HA   MET   1           HA       MET   1 -10.340 -18.480  11.576
   21   1HB   MET   1           HB2      MET   1 -12.899 -17.185  12.531
   22   2HB   MET   1           HB3      MET   1 -11.704 -16.411  11.499
   23   1HG   MET   1           HG2      MET   1 -12.095 -18.104   9.780
   24   2HG   MET   1           HG3      MET   1 -13.302 -18.867  10.813
   25   1HE   MET   1           HE2      MET   1 -15.602 -17.731  11.493
   26   2HE   MET   1           HE1      MET   1 -14.727 -16.335  12.120
   27   3HE   MET   1           HE3      MET   1 -16.072 -16.104  11.002
   28    H    ILE   2           H        ILE   2  -9.509 -16.273  12.242
   29    HA   ILE   2           HA       ILE   2  -8.430 -16.484  14.891
   30    HB   ILE   2           HB       ILE   2  -7.256 -14.372  14.351
   31   1HG1  ILE   2          2HG1      ILE   2  -8.664 -14.602  11.680
   32   2HG1  ILE   2          3HG1      ILE   2  -9.058 -13.416  12.920
   33   1HG2  ILE   2          3HG2      ILE   2  -6.264 -16.515  13.768
   34   2HG2  ILE   2          2HG2      ILE   2  -7.106 -16.499  12.219
   35   3HG2  ILE   2          1HG2      ILE   2  -5.863 -15.295  12.558
   36   1HD1  ILE   2          1HD1      ILE   2  -6.815 -12.467  12.717
   37   2HD1  ILE   2          3HD1      ILE   2  -6.438 -13.645  11.460
   38   3HD1  ILE   2          2HD1      ILE   2  -7.689 -12.433  11.186
   39    H    ALA   3           H        ALA   3 -10.993 -14.693  13.367
   40    HA   ALA   3           HA       ALA   3 -12.557 -13.239  14.149
   41   1HB   ALA   3           HB3      ALA   3 -11.849 -14.450  16.818
   42   2HB   ALA   3           HB1      ALA   3 -13.026 -15.095  15.673
   43   3HB   ALA   3           HB2      ALA   3 -13.310 -13.535  16.445
   44    HA   PRO   4           HA       PRO   4  -9.389 -10.009  15.047
   45   1HB   PRO   4           HB2      PRO   4 -11.615  -8.414  13.881
   46   2HB   PRO   4           HB3      PRO   4  -9.885  -8.362  13.524
   47   1HG   PRO   4           HG2      PRO   4 -11.587  -9.508  11.828
   48   2HG   PRO   4           HG3      PRO   4  -9.986 -10.209  12.123
   49   1HD   PRO   4           HD2      PRO   4 -12.657 -11.082  13.141
   50   2HD   PRO   4           HD3      PRO   4 -11.267 -12.063  12.630
   51    H    LEU   5           H        LEU   5  -9.386  -9.645  17.190
   52    HA   LEU   5           HA       LEU   5 -11.208  -7.769  18.315
   53   1HB   LEU   5           HB2      LEU   5 -12.621  -9.765  18.440
   54   2HB   LEU   5           HB3      LEU   5 -11.357 -10.617  19.306
   55    HG   LEU   5           HG       LEU   5 -11.583  -8.958  21.159
   56   1HD1  LEU   5          2HD1      LEU   5 -12.520  -7.114  19.867
   57   2HD1  LEU   5          1HD1      LEU   5 -13.989  -8.048  19.587
   58   3HD1  LEU   5          3HD1      LEU   5 -13.566  -7.539  21.222
   59   1HD2  LEU   5          2HD2      LEU   5 -14.084 -10.468  20.415
   60   2HD2  LEU   5          1HD2      LEU   5 -12.688 -11.123  21.272
   61   3HD2  LEU   5          3HD2      LEU   5 -13.679  -9.873  22.025
   62    H    SER   6           H        SER   6  -8.671 -10.148  18.744
   63    HA   SER   6           HA       SER   6  -7.400  -8.357  20.690
   64   1HB   SER   6           HB2      SER   6  -7.630 -11.361  20.996
   65   2HB   SER   6           HB3      SER   6  -6.685 -10.299  22.041
   66    HG   SER   6           HG       SER   6  -8.457 -10.046  23.120
   67    H    VAL   7           H        VAL   7  -6.950 -11.246  18.658
   68    HA   VAL   7           HA       VAL   7  -4.311 -10.187  17.910
   69    HB   VAL   7           HB       VAL   7  -3.821 -11.970  19.420
   70   1HG1  VAL   7          3HG1      VAL   7  -6.021 -13.065  19.364
   71   2HG1  VAL   7          2HG1      VAL   7  -5.633 -13.736  17.781
   72   3HG1  VAL   7          1HG1      VAL   7  -4.697 -14.218  19.194
   73   1HG2  VAL   7          3HG2      VAL   7  -2.432 -11.872  17.415
   74   2HG2  VAL   7          2HG2      VAL   7  -2.603 -13.529  17.991
   75   3HG2  VAL   7          1HG2      VAL   7  -3.529 -12.982  16.594
   76    H    LYS   8           H        LYS   8  -4.612  -9.551  15.869
   77    HA   LYS   8           HA       LYS   8  -6.003 -11.356  14.025
   78   1HB   LYS   8           HB2      LYS   8  -6.088  -9.224  12.586
   79   2HB   LYS   8           HB3      LYS   8  -7.151  -9.330  13.976
   80   1HG   LYS   8           HG2      LYS   8  -4.491  -8.036  14.283
   81   2HG   LYS   8           HG3      LYS   8  -5.796  -7.154  13.487
   82   1HD   LYS   8           HD2      LYS   8  -7.220  -7.508  15.454
   83   2HD   LYS   8           HD3      LYS   8  -5.899  -8.364  16.251
   84   1HE   LYS   8           HE2      LYS   8  -4.527  -6.347  16.159
   85   2HE   LYS   8           HE3      LYS   8  -5.833  -5.489  15.341
   86   1HZ   LYS   8           HZ3      LYS   8  -7.215  -5.803  17.298
   87   2HZ   LYS   8           HZ2      LYS   8  -5.962  -6.624  18.082
   88   3HZ   LYS   8           HZ1      LYS   8  -5.789  -4.986  17.700
   89    H    ASP   9           H        ASP   9  -3.033 -10.164  14.910
   90    HA   ASP   9           HA       ASP   9  -0.930 -10.211  14.048
   91   1HB   ASP   9           HB2      ASP   9  -1.177 -12.551  14.016
   92   2HB   ASP   9           HB3      ASP   9  -2.228 -12.508  12.606
   93    H    ASN  10           H        ASN  10  -0.416  -8.432  12.974
   94    HA   ASN  10           HA       ASN  10  -0.923  -8.357  10.097
   95   1HB   ASN  10           HB2      ASN  10  -1.054  -5.714  10.814
   96   2HB   ASN  10           HB3      ASN  10  -2.432  -6.750  10.464
   97   1HD2  ASN  10          1HD2      ASN  10  -0.583  -5.159  12.908
   98   2HD2  ASN  10          2HD2      ASN  10  -1.678  -5.437  14.215
   99    H    ASP  11           H        ASP  11   0.385  -5.813  12.067
  100    HA   ASP  11           HA       ASP  11   2.471  -5.012  10.634
  101   1HB   ASP  11           HB2      ASP  11   3.637  -4.627  12.954
  102   2HB   ASP  11           HB3      ASP  11   2.157  -3.764  12.546
  103    H    LYS  12           H        LYS  12   3.772  -6.292   9.528
  104    HA   LYS  12           HA       LYS  12   5.035  -8.587  10.786
  105   1HB   LYS  12           HB2      LYS  12   4.279  -9.075   8.613
  106   2HB   LYS  12           HB3      LYS  12   4.885  -7.557   7.965
  107   1HG   LYS  12           HG2      LYS  12   7.144  -8.318   8.138
  108   2HG   LYS  12           HG3      LYS  12   6.633  -9.793   8.962
  109   1HD   LYS  12           HD2      LYS  12   5.472 -10.546   6.983
  110   2HD   LYS  12           HD3      LYS  12   5.832  -9.029   6.155
  111   1HE   LYS  12           HE2      LYS  12   8.220  -9.526   6.280
  112   2HE   LYS  12           HE3      LYS  12   7.865 -11.040   7.112
  113   1HZ   LYS  12           HZ1      LYS  12   7.006 -10.342   4.355
  114   2HZ   LYS  12           HZ3      LYS  12   8.267 -11.396   4.758
  115   3HZ   LYS  12           HZ2      LYS  12   6.673 -11.796   5.152
  116    H    TRP  13           H        TRP  13   6.610  -7.946  12.128
  117    HA   TRP  13           HA       TRP  13   8.422  -5.808  11.474
  118   1HB   TRP  13           HB2      TRP  13   8.777  -7.675  13.793
  119   2HB   TRP  13           HB3      TRP  13   9.128  -5.954  13.685
  120    HD1  TRP  13           HD1      TRP  13   6.129  -8.347  14.044
  121    HE1  TRP  13           HE1      TRP  13   4.168  -7.055  15.093
  122    HE3  TRP  13           HE3      TRP  13   8.208  -3.675  14.178
  123    HZ2  TRP  13           HZ2      TRP  13   3.566  -4.406  15.867
  124    HZ3  TRP  13           HZ3      TRP  13   6.877  -1.822  15.099
  125    HH2  TRP  13           HH2      TRP  13   4.610  -2.182  15.929
  126    H    VAL  14           H        VAL  14   9.909  -6.229   9.919
  127    HA   VAL  14           HA       VAL  14  11.784  -8.406  10.431
  128    HB   VAL  14           HB       VAL  14   9.861  -9.327   9.028
  129   1HG1  VAL  14          3HG1      VAL  14  11.183  -7.609   6.944
  130   2HG1  VAL  14          2HG1      VAL  14  10.030  -8.897   6.600
  131   3HG1  VAL  14          1HG1      VAL  14   9.523  -7.485   7.527
  132   1HG2  VAL  14          1HG2      VAL  14  12.282 -10.206   9.259
  133   2HG2  VAL  14          3HG2      VAL  14  11.237 -10.851   7.993
  134   3HG2  VAL  14          2HG2      VAL  14  12.455  -9.640   7.595
  135    H    ASP  15           H        ASP  15  13.408  -8.488   8.557
  136    HA   ASP  15           HA       ASP  15  14.390  -5.770   8.160
  137   1HB   ASP  15           HB2      ASP  15  15.580  -8.494   8.243
  138   2HB   ASP  15           HB3      ASP  15  16.404  -7.280   7.266
  139    H    THR  16           H        THR  16  15.866  -5.800   5.947
  140    HA   THR  16           HA       THR  16  14.760  -7.126   3.709
  141    HB   THR  16           HB       THR  16  12.905  -5.472   4.373
  142    HG1  THR  16           HG1      THR  16  13.051  -6.533   2.315
  143   1HG2  THR  16          3HG2      THR  16  14.366  -3.533   4.743
  144   2HG2  THR  16          2HG2      THR  16  14.808  -3.551   3.036
  145   3HG2  THR  16          1HG2      THR  16  13.146  -3.208   3.512
  146    H    HIS  17           H        HIS  17  15.231  -5.613   1.629
  147    HA   HIS  17           HA       HIS  17  17.995  -4.640   1.942
  148   1HB   HIS  17           HB2      HIS  17  16.689  -6.338  -0.142
  149   2HB   HIS  17           HB3      HIS  17  17.992  -5.265  -0.639
  150    HD1  HIS  17           HD1      HIS  17  20.331  -6.057  -0.215
  151    HD2  HIS  17           HD2      HIS  17  17.497  -8.294   1.841
  152    HE1  HIS  17           HE1      HIS  17  21.596  -7.986   0.787
  153    HE2  HIS  17           HE2      HIS  17  19.846  -9.371   1.957
  154    H    VAL  18           H        VAL  18  18.229  -3.545  -0.660
  155    HA   VAL  18           HA       VAL  18  16.544  -1.177  -0.304
  156    HB   VAL  18           HB       VAL  18  18.987  -1.533  -2.047
  157   1HG1  VAL  18          3HG1      VAL  18  17.419   0.941  -1.322
  158   2HG1  VAL  18          2HG1      VAL  18  18.943   0.921  -2.209
  159   3HG1  VAL  18          1HG1      VAL  18  17.504   0.183  -2.913
  160   1HG2  VAL  18          3HG2      VAL  18  19.528  -1.689   0.325
  161   2HG2  VAL  18          2HG2      VAL  18  20.138  -0.183  -0.361
  162   3HG2  VAL  18          1HG2      VAL  18  18.677  -0.173   0.628
  163    H    GLY  19           H        GLY  19  14.925  -0.706  -1.588
  164   1HA   GLY  19           HA3      GLY  19  14.830  -1.083  -4.375
  165   2HA   GLY  19           HA2      GLY  19  13.466  -0.706  -3.342
  166    H    LYS  20           H        LYS  20  14.440  -3.390  -1.924
  167    HA   LYS  20           HA       LYS  20  13.808  -5.447  -3.739
  168   1HB   LYS  20           HB2      LYS  20  14.717  -5.346  -1.151
  169   2HB   LYS  20           HB3      LYS  20  13.093  -5.966  -0.940
  170   1HG   LYS  20           HG2      LYS  20  14.324  -7.891  -1.169
  171   2HG   LYS  20           HG3      LYS  20  13.740  -7.624  -2.816
  172   1HD   LYS  20           HD2      LYS  20  15.812  -6.766  -3.521
  173   2HD   LYS  20           HD3      LYS  20  16.361  -6.553  -1.863
  174   1HE   LYS  20           HE2      LYS  20  15.873  -9.191  -3.243
  175   2HE   LYS  20           HE3      LYS  20  17.451  -8.471  -2.926
  176   1HZ   LYS  20           HZ2      LYS  20  17.004  -8.622  -0.556
  177   2HZ   LYS  20           HZ1      LYS  20  15.490  -9.311  -0.859
  178   3HZ   LYS  20           HZ3      LYS  20  16.900 -10.147  -1.280
  179    H    THR  21           H        THR  21  11.989  -4.729  -4.864
  180    HA   THR  21           HA       THR  21   9.613  -3.767  -3.943
  181    HB   THR  21           HB       THR  21   9.699  -5.828  -6.135
  182    HG1  THR  21           HG1      THR  21  11.106  -4.554  -7.067
  183   1HG2  THR  21          2HG2      THR  21   7.496  -4.966  -5.511
  184   2HG2  THR  21          1HG2      THR  21   8.070  -3.314  -5.731
  185   3HG2  THR  21          3HG2      THR  21   7.960  -4.401  -7.117
  186    H    THR  22           H        THR  22   8.775  -4.571  -2.084
  187    HA   THR  22           HA       THR  22   8.267  -7.432  -1.857
  188    HB   THR  22           HB       THR  22   7.747  -5.180   0.102
  189    HG1  THR  22           HG1      THR  22   9.591  -7.217   0.596
  190   1HG2  THR  22          3HG2      THR  22   7.512  -8.168   0.480
  191   2HG2  THR  22          2HG2      THR  22   7.357  -6.956   1.752
  192   3HG2  THR  22          1HG2      THR  22   6.174  -7.019   0.445
  193    H    GLU  23           H        GLU  23   6.687  -7.873  -3.291
  194    HA   GLU  23           HA       GLU  23   4.276  -6.319  -3.433
  195   1HB   GLU  23           HB2      GLU  23   5.340  -7.386  -5.405
  196   2HB   GLU  23           HB3      GLU  23   4.973  -8.960  -4.712
  197   1HG   GLU  23           HG2      GLU  23   2.642  -8.610  -4.922
  198   2HG   GLU  23           HG3      GLU  23   2.876  -6.904  -5.308
  199    H    ILE  24           H        ILE  24   2.474  -6.669  -2.331
  200    HA   ILE  24           HA       ILE  24   2.041  -9.309  -1.128
  201    HB   ILE  24           HB       ILE  24   1.586  -6.673   0.246
  202   1HG1  ILE  24          2HG1      ILE  24   3.570  -8.882   0.773
  203   2HG1  ILE  24          3HG1      ILE  24   3.949  -7.275   0.168
  204   1HG2  ILE  24          1HG2      ILE  24  -0.123  -8.343   0.786
  205   2HG2  ILE  24          3HG2      ILE  24   1.141  -9.481   1.250
  206   3HG2  ILE  24          2HG2      ILE  24   0.907  -7.997   2.174
  207   1HD1  ILE  24          2HD1      ILE  24   3.163  -6.316   2.281
  208   2HD1  ILE  24          1HD1      ILE  24   2.853  -7.943   2.886
  209   3HD1  ILE  24          3HD1      ILE  24   4.501  -7.444   2.506
  210    H    HIS  25           H        HIS  25   0.398 -10.005  -2.335
  211    HA   HIS  25           HA       HIS  25  -1.860  -8.288  -2.927
  212   1HB   HIS  25           HB2      HIS  25  -1.905 -11.226  -3.448
  213   2HB   HIS  25           HB3      HIS  25  -2.566  -9.916  -4.410
  214    HD1  HIS  25           HD1      HIS  25   0.303 -12.144  -4.179
  215    HD2  HIS  25           HD2      HIS  25  -0.549  -8.473  -5.925
  216    HE1  HIS  25           HE1      HIS  25   2.106 -11.782  -5.893
  217    HE2  HIS  25           HE2      HIS  25   1.489  -9.620  -7.030
  218    H    LEU  26           H        LEU  26  -3.471  -8.081  -1.542
  219    HA   LEU  26           HA       LEU  26  -3.922 -10.231   0.420
  220   1HB   LEU  26           HB2      LEU  26  -4.524  -7.314   0.862
  221   2HB   LEU  26           HB3      LEU  26  -4.540  -8.596   2.055
  222    HG   LEU  26           HG       LEU  26  -1.925  -8.369   0.836
  223   1HD1  LEU  26          3HD1      LEU  26  -3.054  -5.889   2.123
  224   2HD1  LEU  26          2HD1      LEU  26  -1.343  -6.175   1.803
  225   3HD1  LEU  26          1HD1      LEU  26  -2.483  -6.052   0.463
  226   1HD2  LEU  26          1HD2      LEU  26  -2.679  -9.400   3.064
  227   2HD2  LEU  26          3HD2      LEU  26  -1.170  -8.486   3.035
  228   3HD2  LEU  26          2HD2      LEU  26  -2.638  -7.745   3.684
  229    H    LYS  27           H        LYS  27  -6.079 -10.647   1.021
  230    HA   LYS  27           HA       LYS  27  -8.114  -9.489  -0.762
  231   1HB   LYS  27           HB2      LYS  27  -8.322 -12.291   0.274
  232   2HB   LYS  27           HB3      LYS  27  -9.101 -11.572  -1.127
  233   1HG   LYS  27           HG2      LYS  27  -6.810 -11.429  -2.176
  234   2HG   LYS  27           HG3      LYS  27  -6.239 -12.439  -0.845
  235   1HD   LYS  27           HD2      LYS  27  -7.836 -14.180  -1.469
  236   2HD   LYS  27           HD3      LYS  27  -8.422 -13.172  -2.794
  237   1HE   LYS  27           HE2      LYS  27  -6.200 -13.225  -3.815
  238   2HE   LYS  27           HE3      LYS  27  -5.614 -14.230  -2.491
  239   1HZ   LYS  27           HZ3      LYS  27  -7.751 -14.980  -4.412
  240   2HZ   LYS  27           HZ2      LYS  27  -6.161 -15.554  -4.434
  241   3HZ   LYS  27           HZ1      LYS  27  -7.183 -15.945  -3.145
  242    H    GLY  28           H        GLY  28 -10.309  -9.505   0.161
  243   1HA   GLY  28           HA3      GLY  28 -10.184  -8.750   2.931
  244   2HA   GLY  28           HA2      GLY  28 -11.035 -10.252   2.673
  245    H    ASN  29           H        ASN  29 -11.035  -7.335   0.673
  246    HA   ASN  29           HA       ASN  29 -12.622  -5.768   0.247
  247   1HB   ASN  29           HB2      ASN  29 -14.530  -6.549  -0.813
  248   2HB   ASN  29           HB3      ASN  29 -13.451  -7.938  -0.937
  249   1HD2  ASN  29          1HD2      ASN  29 -16.281  -6.617   0.558
  250   2HD2  ASN  29          2HD2      ASN  29 -16.887  -8.106   1.200
  251    HA   PRO  30           HA       PRO  30 -13.986  -5.038   4.493
  252   1HB   PRO  30           HB2      PRO  30 -14.260  -2.353   4.227
  253   2HB   PRO  30           HB3      PRO  30 -12.693  -3.129   4.476
  254   1HG   PRO  30           HG2      PRO  30 -13.951  -2.188   1.922
  255   2HG   PRO  30           HG3      PRO  30 -12.290  -1.955   2.498
  256   1HD   PRO  30           HD2      PRO  30 -12.916  -3.858   0.698
  257   2HD   PRO  30           HD3      PRO  30 -11.658  -4.106   1.925
  258    H    THR  31           H        THR  31 -15.767  -2.807   4.806
  259    HA   THR  31           HA       THR  31 -18.226  -4.037   4.013
  260    HB   THR  31           HB       THR  31 -19.335  -2.184   5.103
  261    HG1  THR  31           HG1      THR  31 -16.946  -0.914   4.568
  262   1HG2  THR  31          2HG2      THR  31 -18.363  -3.870   6.581
  263   2HG2  THR  31          1HG2      THR  31 -16.851  -2.962   6.636
  264   3HG2  THR  31          3HG2      THR  31 -18.319  -2.275   7.334
  265    H    THR  32           H        THR  32 -16.246  -3.091   1.997
  266    HA   THR  32           HA       THR  32 -16.197  -2.219  -0.070
  267    HB   THR  32           HB       THR  32 -18.178  -2.083  -1.344
  268    HG1  THR  32           HG1      THR  32 -19.754  -0.983  -0.444
  269   1HG2  THR  32          3HG2      THR  32 -17.613  -4.336  -0.541
  270   2HG2  THR  32          2HG2      THR  32 -18.655  -4.088   0.863
  271   3HG2  THR  32          1HG2      THR  32 -19.357  -4.144  -0.756
  272    H    GLY  33           H        GLY  33 -16.123  -0.601   2.400
  273   1HA   GLY  33           HA3      GLY  33 -17.030   1.746   2.794
  274   2HA   GLY  33           HA2      GLY  33 -16.518   2.029   1.135
  275    H    TYR  34           H        TYR  34 -14.777   0.045   3.466
  276    HA   TYR  34           HA       TYR  34 -12.899   2.093   4.167
  277   1HB   TYR  34           HB2      TYR  34 -12.744  -0.903   4.545
  278   2HB   TYR  34           HB3      TYR  34 -11.634   0.261   5.250
  279    HD1  TYR  34           HD1      TYR  34 -15.194  -0.801   5.219
  280    HD2  TYR  34           HD2      TYR  34 -12.119   1.313   7.299
  281    HE1  TYR  34           HE1      TYR  34 -16.664  -0.583   7.181
  282    HE2  TYR  34           HE2      TYR  34 -13.592   1.527   9.256
  283    HH   TYR  34           HH       TYR  34 -15.993   1.502   9.771
  284    H    MET  35           H        MET  35 -10.439   0.856   4.002
  285    HA   MET  35           HA       MET  35  -9.918  -0.026   1.338
  286   1HB   MET  35           HB2      MET  35  -9.938   2.185   0.661
  287   2HB   MET  35           HB3      MET  35  -9.398   2.775   2.229
  288   1HG   MET  35           HG2      MET  35  -7.175   1.891   1.796
  289   2HG   MET  35           HG3      MET  35  -7.721   1.307   0.242
  290   1HE   MET  35           HE1      MET  35  -9.615   3.638  -0.763
  291   2HE   MET  35           HE3      MET  35  -8.487   4.620  -1.696
  292   3HE   MET  35           HE2      MET  35  -8.415   2.861  -1.797
  293    H    TRP  36           H        TRP  36  -7.823  -0.784   1.078
  294    HA   TRP  36           HA       TRP  36  -6.288  -1.098   3.568
  295   1HB   TRP  36           HB2      TRP  36  -6.935  -2.871   1.351
  296   2HB   TRP  36           HB3      TRP  36  -5.211  -2.811   1.674
  297    HD1  TRP  36           HD1      TRP  36  -7.849  -4.975   2.436
  298    HE1  TRP  36           HE1      TRP  36  -7.614  -6.139   4.713
  299    HE3  TRP  36           HE3      TRP  36  -4.359  -1.905   4.545
  300    HZ2  TRP  36           HZ2      TRP  36  -6.149  -5.797   7.095
  301    HZ3  TRP  36           HZ3      TRP  36  -3.593  -2.396   6.828
  302    HH2  TRP  36           HH2      TRP  36  -4.472  -4.299   8.075
  303    H    THR  37           H        THR  37  -5.261   0.954   3.362
  304    HA   THR  37           HA       THR  37  -3.148   0.947   1.321
  305    HB   THR  37           HB       THR  37  -5.079   2.415   0.619
  306    HG1  THR  37           HG1      THR  37  -2.858   4.084   0.997
  307   1HG2  THR  37          2HG2      THR  37  -5.631   3.293   2.843
  308   2HG2  THR  37          1HG2      THR  37  -4.074   4.120   2.902
  309   3HG2  THR  37          3HG2      THR  37  -5.280   4.592   1.704
  310    H    ARG  38           H        ARG  38  -1.954   3.411   1.993
  311    HA   ARG  38           HA       ARG  38  -0.738   2.655   4.512
  312   1HB   ARG  38           HB2      ARG  38   0.017   4.403   2.234
  313   2HB   ARG  38           HB3      ARG  38   0.676   4.808   3.805
  314   1HG   ARG  38           HG2      ARG  38   1.761   2.746   4.005
  315   2HG   ARG  38           HG3      ARG  38   0.900   2.082   2.614
  316   1HD   ARG  38           HD2      ARG  38   3.292   2.825   2.258
  317   2HD   ARG  38           HD3      ARG  38   2.116   3.388   1.100
  318    HE   ARG  38           HE       ARG  38   2.218   5.548   2.212
  319   1HH1  ARG  38          1HH1      ARG  38   4.705   3.240   3.007
  320   2HH1  ARG  38          2HH1      ARG  38   5.858   4.444   3.477
  321   1HH2  ARG  38          1HH2      ARG  38   3.748   7.146   2.813
  322   2HH2  ARG  38          2HH2      ARG  38   5.313   6.660   3.369
  323    H    VAL  39           H        VAL  39  -0.338   4.170   6.231
  324    HA   VAL  39           HA       VAL  39  -2.686   5.619   6.956
  325    HB   VAL  39           HB       VAL  39   0.005   5.627   8.330
  326   1HG1  VAL  39          1HG1      VAL  39  -2.753   6.303   9.345
  327   2HG1  VAL  39          3HG1      VAL  39  -1.291   6.224  10.329
  328   3HG1  VAL  39          2HG1      VAL  39  -1.435   7.440   9.059
  329   1HG2  VAL  39          3HG2      VAL  39  -1.138   3.363   7.928
  330   2HG2  VAL  39          2HG2      VAL  39  -0.625   3.759   9.569
  331   3HG2  VAL  39          1HG2      VAL  39  -2.324   3.913   9.112
  332    H    GLY  40           H        GLY  40  -3.135   7.737   6.825
  333   1HA   GLY  40           HA3      GLY  40  -1.063   9.731   6.616
  334   2HA   GLY  40           HA2      GLY  40  -2.796  10.021   6.617
  335    H    PHE  41           H        PHE  41  -2.648   7.779   4.382
  336    HA   PHE  41           HA       PHE  41  -2.263   9.721   2.212
  337   1HB   PHE  41           HB2      PHE  41  -1.362   6.837   2.134
  338   2HB   PHE  41           HB3      PHE  41  -1.164   8.031   0.854
  339    HD1  PHE  41           HD1      PHE  41   0.278   6.544   3.717
  340    HD2  PHE  41           HD2      PHE  41   0.211  10.129   1.436
  341    HE1  PHE  41           HE1      PHE  41   2.422   7.218   4.725
  342    HE2  PHE  41           HE2      PHE  41   2.358  10.812   2.430
  343    HZ   PHE  41           HZ       PHE  41   3.464   9.355   4.081
  344    H    VAL  42           H        VAL  42  -4.248   7.628   3.783
  345    HA   VAL  42           HA       VAL  42  -5.681   6.270   1.853
  346    HB   VAL  42           HB       VAL  42  -6.905   7.611   4.266
  347   1HG1  VAL  42          1HG1      VAL  42  -8.388   6.545   2.507
  348   2HG1  VAL  42          3HG1      VAL  42  -7.670   5.005   2.979
  349   3HG1  VAL  42          2HG1      VAL  42  -8.578   5.954   4.157
  350   1HG2  VAL  42          3HG2      VAL  42  -4.749   6.210   4.588
  351   2HG2  VAL  42          2HG2      VAL  42  -6.137   5.914   5.630
  352   3HG2  VAL  42          1HG2      VAL  42  -5.806   4.834   4.279
  353    H    GLY  43           H        GLY  43  -6.495   7.050   0.029
  354   1HA   GLY  43           HA3      GLY  43  -8.116   9.505   0.159
  355   2HA   GLY  43           HA2      GLY  43  -8.282   8.239  -1.049
  356    H    LYS  44           H        LYS  44  -5.174   9.453  -0.056
  357    HA   LYS  44           HA       LYS  44  -4.869  11.430  -2.054
  358   1HB   LYS  44           HB2      LYS  44  -2.840   9.880  -0.442
  359   2HB   LYS  44           HB3      LYS  44  -2.444  11.244  -1.471
  360   1HG   LYS  44           HG2      LYS  44  -3.979  12.643  -0.096
  361   2HG   LYS  44           HG3      LYS  44  -4.171  11.266   0.992
  362   1HD   LYS  44           HD2      LYS  44  -1.752  11.264   1.404
  363   2HD   LYS  44           HD3      LYS  44  -1.576  12.660   0.336
  364   1HE   LYS  44           HE2      LYS  44  -3.021  13.970   1.814
  365   2HE   LYS  44           HE3      LYS  44  -3.192  12.578   2.882
  366   1HZ   LYS  44           HZ3      LYS  44  -0.804  12.643   3.278
  367   2HZ   LYS  44           HZ2      LYS  44  -0.655  13.995   2.272
  368   3HZ   LYS  44           HZ1      LYS  44  -1.531  14.107   3.714
  369    H    ASP  45           H        ASP  45  -2.905  11.221  -3.615
  370    HA   ASP  45           HA       ASP  45  -3.522   9.113  -5.446
  371   1HB   ASP  45           HB2      ASP  45  -1.594  11.420  -5.452
  372   2HB   ASP  45           HB3      ASP  45  -1.579  10.211  -6.727
  373    H    VAL  46           H        VAL  46  -0.432  10.161  -4.037
  374    HA   VAL  46           HA       VAL  46   0.585   7.421  -4.299
  375    HB   VAL  46           HB       VAL  46   1.924   9.285  -5.256
  376   1HG1  VAL  46          3HG1      VAL  46   1.387  10.999  -3.611
  377   2HG1  VAL  46          2HG1      VAL  46   2.264  10.098  -2.374
  378   3HG1  VAL  46          1HG1      VAL  46   3.132  10.784  -3.748
  379   1HG2  VAL  46          3HG2      VAL  46   3.218   7.790  -2.978
  380   2HG2  VAL  46          2HG2      VAL  46   3.003   7.200  -4.626
  381   3HG2  VAL  46          1HG2      VAL  46   4.073   8.567  -4.312
  382    H    LEU  47           H        LEU  47   1.334   6.257  -2.605
  383    HA   LEU  47           HA       LEU  47   0.424   7.111   0.023
  384   1HB   LEU  47           HB2      LEU  47   1.631   4.460  -0.677
  385   2HB   LEU  47           HB3      LEU  47   0.587   4.845   0.673
  386    HG   LEU  47           HG       LEU  47  -0.245   4.759  -2.231
  387   1HD1  LEU  47          1HD1      LEU  47  -0.788   2.886   0.068
  388   2HD1  LEU  47          3HD1      LEU  47  -1.589   2.812  -1.502
  389   3HD1  LEU  47          2HD1      LEU  47   0.151   2.540  -1.385
  390   1HD2  LEU  47          1HD2      LEU  47  -1.829   5.313   0.271
  391   2HD2  LEU  47          3HD2      LEU  47  -1.530   6.423  -1.067
  392   3HD2  LEU  47          2HD2      LEU  47  -2.533   4.993  -1.314
  393    H    SER  48           H        SER  48   3.353   5.763  -1.460
  394    HA   SER  48           HA       SER  48   5.020   6.179   0.777
  395   1HB   SER  48           HB2      SER  48   6.855   5.776  -0.831
  396   2HB   SER  48           HB3      SER  48   5.581   4.572  -0.963
  397    HG   SER  48           HG       SER  48   4.753   5.936  -2.716
  398    H    ASP  49           H        ASP  49   7.261   7.454  -0.112
  399    HA   ASP  49           HA       ASP  49   6.548  10.096  -1.071
  400   1HB   ASP  49           HB2      ASP  49   7.562   9.603   1.725
  401   2HB   ASP  49           HB3      ASP  49   7.720  11.163   0.921
  402    H    GLU  50           H        GLU  50   9.315   9.295   0.933
  403    HA   GLU  50           HA       GLU  50  11.036   9.263  -1.446
  404   1HB   GLU  50           HB2      GLU  50  12.599  10.761  -0.367
  405   2HB   GLU  50           HB3      GLU  50  11.008  11.511  -0.415
  406   1HG   GLU  50           HG2      GLU  50  10.633  10.939   1.907
  407   2HG   GLU  50           HG3      GLU  50  12.198  10.130   1.978
  408    H    ILE  51           H        ILE  51  10.481   8.348   1.876
  409    HA   ILE  51           HA       ILE  51  12.937   6.960   2.274
  410    HB   ILE  51           HB       ILE  51  10.332   6.537   3.729
  411   1HG1  ILE  51          2HG1      ILE  51  11.016   8.932   3.632
  412   2HG1  ILE  51          3HG1      ILE  51  10.997   8.261   5.255
  413   1HG2  ILE  51          3HG2      ILE  51  13.197   6.043   4.518
  414   2HG2  ILE  51          2HG2      ILE  51  11.810   5.890   5.597
  415   3HG2  ILE  51          1HG2      ILE  51  11.961   4.826   4.198
  416   1HD1  ILE  51          3HD1      ILE  51  13.460   8.613   3.565
  417   2HD1  ILE  51          2HD1      ILE  51  12.934   9.714   4.840
  418   3HD1  ILE  51          1HD1      ILE  51  13.402   8.061   5.239
  419    H    LEU  52           H        LEU  52   9.830   5.383   2.646
  420    HA   LEU  52           HA       LEU  52  10.868   3.084   1.165
  421   1HB   LEU  52           HB2      LEU  52   9.393   3.371   3.542
  422   2HB   LEU  52           HB3      LEU  52   8.298   2.649   2.380
  423    HG   LEU  52           HG       LEU  52  10.988   1.571   3.199
  424   1HD1  LEU  52          1HD1      LEU  52   9.269   1.294   4.904
  425   2HD1  LEU  52          3HD1      LEU  52   8.195   0.558   3.713
  426   3HD1  LEU  52          2HD1      LEU  52   9.690  -0.255   4.176
  427   1HD2  LEU  52          3HD2      LEU  52   8.961   0.502   1.243
  428   2HD2  LEU  52          2HD2      LEU  52  10.584   1.078   0.870
  429   3HD2  LEU  52          1HD2      LEU  52  10.367  -0.386   1.829
  430    H    GLU  53           H        GLU  53  10.404   3.201  -0.981
  431    HA   GLU  53           HA       GLU  53   8.186   4.528  -2.091
  432   1HB   GLU  53           HB2      GLU  53  10.252   3.766  -3.347
  433   2HB   GLU  53           HB3      GLU  53   9.601   2.138  -3.288
  434   1HG   GLU  53           HG2      GLU  53   7.629   2.890  -4.532
  435   2HG   GLU  53           HG3      GLU  53   8.323   4.507  -4.626
  436    H    VAL  54           H        VAL  54   6.122   3.768  -2.693
  437    HA   VAL  54           HA       VAL  54   5.485   1.003  -2.018
  438    HB   VAL  54           HB       VAL  54   3.842   3.260  -0.880
  439   1HG1  VAL  54          1HG1      VAL  54   2.617   1.195  -1.376
  440   2HG1  VAL  54          3HG1      VAL  54   3.763   0.286  -0.390
  441   3HG1  VAL  54          2HG1      VAL  54   2.720   1.495   0.359
  442   1HG2  VAL  54          3HG2      VAL  54   6.030   1.611   0.335
  443   2HG2  VAL  54          2HG2      VAL  54   5.793   3.356   0.392
  444   3HG2  VAL  54          1HG2      VAL  54   4.743   2.294   1.326
  445    H    VAL  55           H        VAL  55   5.222   0.777  -4.286
  446    HA   VAL  55           HA       VAL  55   3.086   2.256  -5.573
  447    HB   VAL  55           HB       VAL  55   4.611  -0.109  -6.650
  448   1HG1  VAL  55          2HG1      VAL  55   2.425   0.515  -7.707
  449   2HG1  VAL  55          1HG1      VAL  55   3.149   2.064  -8.133
  450   3HG1  VAL  55          3HG1      VAL  55   3.815   0.569  -8.793
  451   1HG2  VAL  55          2HG2      VAL  55   5.195   2.834  -6.966
  452   2HG2  VAL  55          1HG2      VAL  55   6.172   1.668  -6.075
  453   3HG2  VAL  55          3HG2      VAL  55   6.016   1.531  -7.825
  454    H    CYS  56           H        CYS  56   1.389   1.618  -4.236
  455    HA   CYS  56           HA       CYS  56   0.604  -1.203  -4.322
  456   1HB   CYS  56           HB2      CYS  56   0.631  -0.421  -2.088
  457   2HB   CYS  56           HB3      CYS  56  -0.190   1.074  -2.521
  458    HG   CYS  56           HG       CYS  56  -2.557  -0.497  -3.288
  459    H    LYS  57           H        LYS  57  -1.137  -1.882  -5.384
  460    HA   LYS  57           HA       LYS  57  -2.863   0.158  -6.612
  461   1HB   LYS  57           HB2      LYS  57  -2.417  -2.616  -7.688
  462   2HB   LYS  57           HB3      LYS  57  -3.145  -1.244  -8.507
  463   1HG   LYS  57           HG2      LYS  57  -1.022  -0.120  -8.626
  464   2HG   LYS  57           HG3      LYS  57  -0.257  -1.393  -7.672
  465   1HD   LYS  57           HD2      LYS  57  -0.746  -3.011  -9.441
  466   2HD   LYS  57           HD3      LYS  57  -1.509  -1.738 -10.396
  467   1HE   LYS  57           HE2      LYS  57   1.380  -1.819  -9.535
  468   2HE   LYS  57           HE3      LYS  57   0.772  -2.167 -11.153
  469   1HZ   LYS  57           HZ1      LYS  57  -0.038   0.105 -11.299
  470   2HZ   LYS  57           HZ3      LYS  57   0.547   0.439  -9.746
  471   3HZ   LYS  57           HZ2      LYS  57   1.626   0.083 -10.999
  472    H    TYR  58           H        TYR  58  -4.843   0.190  -5.882
  473    HA   TYR  58           HA       TYR  58  -5.884  -2.057  -4.350
  474   1HB   TYR  58           HB2      TYR  58  -6.034   0.388  -3.592
  475   2HB   TYR  58           HB3      TYR  58  -7.249   0.593  -4.849
  476    HD1  TYR  58           HD1      TYR  58  -8.866  -1.821  -4.651
  477    HD2  TYR  58           HD2      TYR  58  -7.093   0.525  -1.550
  478    HE1  TYR  58           HE1      TYR  58 -10.610  -2.593  -3.098
  479    HE2  TYR  58           HE2      TYR  58  -8.855  -0.236  -0.003
  480    HH   TYR  58           HH       TYR  58 -11.146  -1.115  -0.089
  481    H    THR  59           H        THR  59  -6.441  -3.597  -5.834
  482    HA   THR  59           HA       THR  59  -8.124  -2.848  -8.103
  483    HB   THR  59           HB       THR  59  -6.958  -5.555  -7.421
  484    HG1  THR  59           HG1      THR  59  -6.015  -3.503  -9.168
  485   1HG2  THR  59          2HG2      THR  59  -8.151  -4.479  -9.982
  486   2HG2  THR  59          1HG2      THR  59  -7.412  -6.067  -9.781
  487   3HG2  THR  59          3HG2      THR  59  -8.893  -5.667  -8.911
  488    HA   PRO  60           HA       PRO  60 -11.549  -4.582  -5.742
  489   1HB   PRO  60           HB2      PRO  60 -13.310  -2.684  -6.326
  490   2HB   PRO  60           HB3      PRO  60 -11.949  -2.329  -5.262
  491   1HG   PRO  60           HG2      PRO  60 -12.407  -1.515  -8.075
  492   2HG   PRO  60           HG3      PRO  60 -11.455  -0.716  -6.814
  493   1HD   PRO  60           HD2      PRO  60 -10.543  -2.479  -8.894
  494   2HD   PRO  60           HD3      PRO  60  -9.585  -1.634  -7.663
  495    H    THR  61           H        THR  61 -11.445  -6.374  -7.344
  496    HA   THR  61           HA       THR  61 -12.463  -6.321  -9.915
  497    HB   THR  61           HB       THR  61 -13.104  -8.759  -8.372
  498    HG1  THR  61           HG1      THR  61 -10.607  -9.074  -8.557
  499   1HG2  THR  61          3HG2      THR  61 -11.494  -8.196 -10.863
  500   2HG2  THR  61          2HG2      THR  61 -11.847  -9.804 -10.230
  501   3HG2  THR  61          1HG2      THR  61 -13.160  -8.769 -10.795
  502    HA   PRO  62           HA       PRO  62 -16.831  -5.911  -9.188
  503   1HB   PRO  62           HB2      PRO  62 -17.615  -5.873 -11.745
  504   2HB   PRO  62           HB3      PRO  62 -16.660  -4.556 -11.057
  505   1HG   PRO  62           HG2      PRO  62 -15.839  -6.724 -12.908
  506   2HG   PRO  62           HG3      PRO  62 -15.206  -5.078 -12.750
  507   1HD   PRO  62           HD2      PRO  62 -14.093  -7.454 -11.670
  508   2HD   PRO  62           HD3      PRO  62 -13.564  -5.786 -11.378
  509    H    SER  63           H        SER  63 -18.759  -7.110  -9.299
  510    HA   SER  63           HA       SER  63 -18.386  -9.947  -9.894
  511   1HB   SER  63           HB2      SER  63 -20.582 -10.091  -8.567
  512   2HB   SER  63           HB3      SER  63 -19.126  -9.660  -7.676
  513    HG   SER  63           HG       SER  63 -21.349  -8.115  -8.341
  514    H    SER  64           H        SER  64 -20.934 -10.805 -10.220
  515    HA   SER  64           HA       SER  64 -21.766  -9.485 -12.718
  516   1HB   SER  64           HB2      SER  64 -22.072 -12.386 -11.902
  517   2HB   SER  64           HB3      SER  64 -22.644 -11.686 -13.417
  518    HG   SER  64           HG       SER  64 -20.704 -12.434 -13.968
  519    H    THR  65           H        THR  65 -23.331 -11.802 -10.514
  520    HA   THR  65           HA       THR  65 -25.326  -9.885  -9.738
  521    HB   THR  65           HB       THR  65 -26.200 -12.245 -11.406
  522    HG1  THR  65           HG1      THR  65 -26.977  -9.777 -12.245
  523   1HG2  THR  65          1HG2      THR  65 -27.806 -10.054 -10.087
  524   2HG2  THR  65          3HG2      THR  65 -28.449 -11.286 -11.172
  525   3HG2  THR  65          2HG2      THR  65 -27.777 -11.751  -9.609
  526    HA   PRO  66           HA       PRO  66 -25.935 -13.904  -7.270
  527   1HB   PRO  66           HB2      PRO  66 -24.463 -16.110  -8.299
  528   2HB   PRO  66           HB3      PRO  66 -26.204 -15.849  -8.399
  529   1HG   PRO  66           HG2      PRO  66 -24.461 -15.858 -10.561
  530   2HG   PRO  66           HG3      PRO  66 -26.082 -15.143 -10.556
  531   1HD   PRO  66           HD2      PRO  66 -23.425 -13.815 -10.207
  532   2HD   PRO  66           HD3      PRO  66 -24.865 -13.243 -11.078
  533    H    MET  67           H        MET  67 -23.660 -12.110  -7.246
  534    HA   MET  67           HA       MET  67 -22.216 -13.122  -5.073
  535   1HB   MET  67           HB2      MET  67 -21.223 -14.534  -6.923
  536   2HB   MET  67           HB3      MET  67 -20.594 -13.050  -7.626
  537   1HG   MET  67           HG2      MET  67 -19.348 -12.639  -5.541
  538   2HG   MET  67           HG3      MET  67 -19.910 -14.192  -4.929
  539   1HE   MET  67           HE1      MET  67 -18.858 -13.282  -8.617
  540   2HE   MET  67           HE3      MET  67 -17.723 -12.365  -7.626
  541   3HE   MET  67           HE2      MET  67 -17.150 -13.719  -8.599
  542    H    VAL  68           H        VAL  68 -23.616 -10.819  -6.053
  543    HA   VAL  68           HA       VAL  68 -22.291  -8.655  -6.938
  544    HB   VAL  68           HB       VAL  68 -24.669  -8.737  -6.248
  545   1HG1  VAL  68          3HG1      VAL  68 -24.392  -9.743  -4.048
  546   2HG1  VAL  68          2HG1      VAL  68 -23.560  -8.297  -3.477
  547   3HG1  VAL  68          1HG1      VAL  68 -25.262  -8.212  -3.930
  548   1HG2  VAL  68          1HG2      VAL  68 -23.069  -6.415  -5.166
  549   2HG2  VAL  68          3HG2      VAL  68 -23.626  -6.616  -6.828
  550   3HG2  VAL  68          2HG2      VAL  68 -24.795  -6.388  -5.527
  551    H    GLY  69           H        GLY  69 -20.834  -7.197  -6.261
  552   1HA   GLY  69           HA3      GLY  69 -19.379  -7.836  -3.793
  553   2HA   GLY  69           HA2      GLY  69 -19.968  -6.195  -4.019
  554    H    VAL  70           H        VAL  70 -18.373  -4.886  -4.593
  555    HA   VAL  70           HA       VAL  70 -16.740  -5.502  -6.892
  556    HB   VAL  70           HB       VAL  70 -17.708  -3.218  -6.366
  557   1HG1  VAL  70          2HG1      VAL  70 -17.133  -3.139  -3.998
  558   2HG1  VAL  70          1HG1      VAL  70 -15.418  -3.127  -4.409
  559   3HG1  VAL  70          3HG1      VAL  70 -16.444  -1.769  -4.868
  560   1HG2  VAL  70          3HG2      VAL  70 -14.752  -3.449  -6.909
  561   2HG2  VAL  70          2HG2      VAL  70 -16.054  -3.499  -8.097
  562   3HG2  VAL  70          1HG2      VAL  70 -15.727  -2.011  -7.209
  563    H    GLY  71           H        GLY  71 -16.429  -7.036  -4.344
  564   1HA   GLY  71           HA3      GLY  71 -14.747  -7.951  -3.090
  565   2HA   GLY  71           HA2      GLY  71 -14.053  -6.339  -3.026
  566    H    GLY  72           H        GLY  72 -11.986  -6.503  -3.511
  567   1HA   GLY  72           HA3      GLY  72 -10.625  -6.623  -5.670
  568   2HA   GLY  72           HA2      GLY  72 -11.163  -8.295  -5.706
  569    H    ILE  73           H        ILE  73  -8.506  -6.649  -5.177
  570    HA   ILE  73           HA       ILE  73  -7.730  -8.091  -2.746
  571    HB   ILE  73           HB       ILE  73  -5.575  -8.659  -3.677
  572   1HG1  ILE  73          2HG1      ILE  73  -5.956  -8.413  -6.457
  573   2HG1  ILE  73          3HG1      ILE  73  -6.349  -6.849  -5.748
  574   1HG2  ILE  73          3HG2      ILE  73  -7.551 -10.199  -3.882
  575   2HG2  ILE  73          2HG2      ILE  73  -7.624  -9.720  -5.579
  576   3HG2  ILE  73          1HG2      ILE  73  -6.180 -10.519  -4.947
  577   1HD1  ILE  73          2HD1      ILE  73  -4.176  -6.887  -4.568
  578   2HD1  ILE  73          1HD1      ILE  73  -3.782  -8.383  -5.413
  579   3HD1  ILE  73          3HD1      ILE  73  -4.022  -6.892  -6.326
  580    H    TYR  74           H        TYR  74  -5.143  -7.365  -2.581
  581    HA   TYR  74           HA       TYR  74  -4.989  -4.465  -2.813
  582   1HB   TYR  74           HB2      TYR  74  -4.401  -5.789  -0.171
  583   2HB   TYR  74           HB3      TYR  74  -4.646  -4.079  -0.507
  584    HD1  TYR  74           HD1      TYR  74  -6.265  -7.180   0.441
  585    HD2  TYR  74           HD2      TYR  74  -6.927  -3.269  -1.102
  586    HE1  TYR  74           HE1      TYR  74  -8.633  -7.355   1.026
  587    HE2  TYR  74           HE2      TYR  74  -9.291  -3.448  -0.506
  588    HH   TYR  74           HH       TYR  74 -10.966  -5.176  -0.111
  589    H    VAL  75           H        VAL  75  -3.234  -4.625  -4.223
  590    HA   VAL  75           HA       VAL  75  -0.955  -6.234  -3.346
  591    HB   VAL  75           HB       VAL  75  -1.651  -6.615  -5.651
  592   1HG1  VAL  75          2HG1      VAL  75  -1.062  -3.690  -6.060
  593   2HG1  VAL  75          1HG1      VAL  75  -1.378  -4.853  -7.347
  594   3HG1  VAL  75          3HG1      VAL  75  -2.638  -4.474  -6.173
  595   1HG2  VAL  75          1HG2      VAL  75   0.706  -6.859  -5.095
  596   2HG2  VAL  75          3HG2      VAL  75   0.512  -6.270  -6.747
  597   3HG2  VAL  75          2HG2      VAL  75   0.981  -5.156  -5.463
  598    H    VAL  76           H        VAL  76   0.747  -5.352  -2.484
  599    HA   VAL  76           HA       VAL  76   1.154  -2.444  -2.773
  600    HB   VAL  76           HB       VAL  76   1.806  -4.107  -0.340
  601   1HG1  VAL  76          2HG1      VAL  76   1.916  -1.139  -0.860
  602   2HG1  VAL  76          1HG1      VAL  76   2.093  -1.881   0.730
  603   3HG1  VAL  76          3HG1      VAL  76   3.273  -2.217  -0.537
  604   1HG2  VAL  76          3HG2      VAL  76  -0.633  -3.878  -0.752
  605   2HG2  VAL  76          2HG2      VAL  76  -0.092  -3.109   0.739
  606   3HG2  VAL  76          1HG2      VAL  76  -0.441  -2.127  -0.684
  607    H    LEU  77           H        LEU  77   3.018  -1.903  -3.721
  608    HA   LEU  77           HA       LEU  77   5.251  -3.814  -3.649
  609   1HB   LEU  77           HB2      LEU  77   4.730  -1.492  -5.506
  610   2HB   LEU  77           HB3      LEU  77   6.186  -2.471  -5.534
  611    HG   LEU  77           HG       LEU  77   3.368  -3.408  -6.132
  612   1HD1  LEU  77          3HD1      LEU  77   5.788  -3.083  -7.902
  613   2HD1  LEU  77          2HD1      LEU  77   4.233  -3.756  -8.392
  614   3HD1  LEU  77          1HD1      LEU  77   4.349  -2.064  -7.911
  615   1HD2  LEU  77          1HD2      LEU  77   5.059  -5.007  -4.955
  616   2HD2  LEU  77          3HD2      LEU  77   4.131  -5.566  -6.349
  617   3HD2  LEU  77          2HD2      LEU  77   5.810  -5.068  -6.552
  618    H    VAL  78           H        VAL  78   6.210  -3.323  -1.725
  619    HA   VAL  78           HA       VAL  78   6.827  -0.525  -1.171
  620    HB   VAL  78           HB       VAL  78   7.910  -2.333   0.785
  621   1HG1  VAL  78          3HG1      VAL  78   7.382   0.029   1.169
  622   2HG1  VAL  78          2HG1      VAL  78   5.669  -0.301   0.905
  623   3HG1  VAL  78          1HG1      VAL  78   6.501  -1.004   2.294
  624   1HG2  VAL  78          2HG2      VAL  78   4.976  -2.663   0.182
  625   2HG2  VAL  78          1HG2      VAL  78   6.221  -3.901   0.026
  626   3HG2  VAL  78          3HG2      VAL  78   5.800  -3.271   1.617
  627    H    LYS  79           H        LYS  79   8.493   0.142  -2.356
  628    HA   LYS  79           HA       LYS  79  10.884  -1.530  -2.588
  629   1HB   LYS  79           HB2      LYS  79   9.594   0.540  -4.236
  630   2HB   LYS  79           HB3      LYS  79  11.344   0.641  -4.167
  631   1HG   LYS  79           HG2      LYS  79  11.309  -1.856  -4.767
  632   2HG   LYS  79           HG3      LYS  79   9.622  -1.562  -5.244
  633   1HD   LYS  79           HD2      LYS  79  10.231  -0.383  -7.072
  634   2HD   LYS  79           HD3      LYS  79  11.567   0.413  -6.234
  635   1HE   LYS  79           HE2      LYS  79  12.905  -1.620  -6.449
  636   2HE   LYS  79           HE3      LYS  79  11.584  -2.393  -7.322
  637   1HZ   LYS  79           HZ3      LYS  79  11.783  -0.707  -9.043
  638   2HZ   LYS  79           HZ2      LYS  79  13.057   0.027  -8.208
  639   3HZ   LYS  79           HZ1      LYS  79  13.247  -1.531  -8.838
  640    HA   PRO  80           HA       PRO  80  12.422   1.193   0.748
  641   1HB   PRO  80           HB2      PRO  80  14.805  -0.521   0.296
  642   2HB   PRO  80           HB3      PRO  80  13.980  -0.109   1.802
  643   1HG   PRO  80           HG2      PRO  80  13.720  -2.530   0.703
  644   2HG   PRO  80           HG3      PRO  80  12.367  -1.736   1.523
  645   1HD   PRO  80           HD2      PRO  80  12.878  -2.080  -1.396
  646   2HD   PRO  80           HD3      PRO  80  11.343  -2.102  -0.505
  647    H    ARG  81           H        ARG  81  12.605   3.070  -0.514
  648    HA   ARG  81           HA       ARG  81  14.498   3.382  -2.590
  649   1HB   ARG  81           HB2      ARG  81  12.758   5.219  -1.026
  650   2HB   ARG  81           HB3      ARG  81  14.071   5.909  -1.963
  651   1HG   ARG  81           HG2      ARG  81  13.191   5.025  -3.990
  652   2HG   ARG  81           HG3      ARG  81  11.997   4.064  -3.115
  653   1HD   ARG  81           HD2      ARG  81  11.012   6.170  -2.264
  654   2HD   ARG  81           HD3      ARG  81  12.130   7.069  -3.288
  655    HE   ARG  81           HE       ARG  81  10.578   5.152  -4.744
  656   1HH1  ARG  81          1HH1      ARG  81  10.587   8.375  -3.417
  657   2HH1  ARG  81          2HH1      ARG  81   9.405   8.975  -4.532
  658   1HH2  ARG  81          1HH2      ARG  81   9.023   5.934  -6.216
  659   2HH2  ARG  81          2HH2      ARG  81   8.516   7.588  -6.123
  660    H    LYS  82           H        LYS  82  14.641   3.725   0.856
  661    HA   LYS  82           HA       LYS  82  17.479   4.472   0.636
  662   1HB   LYS  82           HB2      LYS  82  15.571   5.424   2.782
  663   2HB   LYS  82           HB3      LYS  82  17.272   5.844   2.637
  664   1HG   LYS  82           HG2      LYS  82  16.779   6.960   0.492
  665   2HG   LYS  82           HG3      LYS  82  15.068   6.602   0.733
  666   1HD   LYS  82           HD2      LYS  82  15.092   7.900   2.811
  667   2HD   LYS  82           HD3      LYS  82  16.800   8.270   2.554
  668   1HE   LYS  82           HE2      LYS  82  14.527   9.049   0.730
  669   2HE   LYS  82           HE3      LYS  82  15.365  10.122   1.850
  670   1HZ   LYS  82           HZ1      LYS  82  16.604   8.728  -0.462
  671   2HZ   LYS  82           HZ3      LYS  82  16.198  10.370  -0.401
  672   3HZ   LYS  82           HZ2      LYS  82  17.407   9.759   0.612
  673    H    ARG  83           H        ARG  83  18.599   4.029   2.849
  674    HA   ARG  83           HA       ARG  83  17.689   1.388   3.784
  675   1HB   ARG  83           HB2      ARG  83  20.214   1.239   4.473
  676   2HB   ARG  83           HB3      ARG  83  19.725   0.921   2.814
  677   1HG   ARG  83           HG2      ARG  83  20.375   3.157   2.160
  678   2HG   ARG  83           HG3      ARG  83  20.792   3.547   3.831
  679   1HD   ARG  83           HD2      ARG  83  22.099   1.429   2.128
  680   2HD   ARG  83           HD3      ARG  83  22.777   3.012   2.507
  681    HE   ARG  83           HE       ARG  83  22.149   1.620   4.886
  682   1HH1  ARG  83          1HH1      ARG  83  24.454   1.665   2.274
  683   2HH1  ARG  83          2HH1      ARG  83  25.734   0.985   3.221
  684   1HH2  ARG  83          1HH2      ARG  83  23.828   0.724   6.140
  685   2HH2  ARG  83          2HH2      ARG  83  25.379   0.450   5.420
  686    H    GLY  84           H        GLY  84  17.486   0.995   5.927
  687   1HA   GLY  84           HA3      GLY  84  17.661   3.327   7.688
  688   2HA   GLY  84           HA2      GLY  84  18.558   1.888   8.149
  689    H    HIS  85           H        HIS  85  16.079   3.421   9.184
  690    HA   HIS  85           HA       HIS  85  14.542   0.992   9.754
  691   1HB   HIS  85           HB2      HIS  85  14.490   3.681  11.136
  692   2HB   HIS  85           HB3      HIS  85  13.606   2.247  11.644
  693    HD1  HIS  85           HD1      HIS  85  16.859   3.916  11.937
  694    HD2  HIS  85           HD2      HIS  85  15.303   0.126  12.627
  695    HE1  HIS  85           HE1      HIS  85  18.558   2.743  13.372
  696    HE2  HIS  85           HE2      HIS  85  17.550   0.485  13.854
  697    H    HIS  86           H        HIS  86  13.260   0.834   7.937
  698    HA   HIS  86           HA       HIS  86  11.387   3.055   7.457
  699   1HB   HIS  86           HB2      HIS  86  12.143   0.808   5.574
  700   2HB   HIS  86           HB3      HIS  86  11.090   2.172   5.205
  701    HD1  HIS  86           HD1      HIS  86  13.770   3.518   7.117
  702    HD2  HIS  86           HD2      HIS  86  13.312   2.323   3.166
  703    HE1  HIS  86           HE1      HIS  86  15.630   4.644   5.857
  704    HE2  HIS  86           HE2      HIS  86  15.258   4.001   3.451
  705    H    THR  87           H        THR  87   9.181   2.354   6.717
  706    HA   THR  87           HA       THR  87   8.302  -0.271   7.524
  707    HB   THR  87           HB       THR  87   7.289   2.117   9.075
  708    HG1  THR  87           HG1      THR  87   8.769  -0.055  10.137
  709   1HG2  THR  87          3HG2      THR  87   5.614   0.367   8.740
  710   2HG2  THR  87          2HG2      THR  87   6.737  -0.835   9.374
  711   3HG2  THR  87          1HG2      THR  87   6.126   0.442  10.424
  712    H    LEU  88           H        LEU  88   6.038  -0.660   7.082
  713    HA   LEU  88           HA       LEU  88   4.842   1.298   5.234
  714   1HB   LEU  88           HB2      LEU  88   5.644  -0.493   3.896
  715   2HB   LEU  88           HB3      LEU  88   5.032  -1.694   5.010
  716    HG   LEU  88           HG       LEU  88   2.694  -0.789   4.385
  717   1HD1  LEU  88          2HD1      LEU  88   3.469   1.230   3.259
  718   2HD1  LEU  88          1HD1      LEU  88   4.306   0.245   2.060
  719   3HD1  LEU  88          3HD1      LEU  88   2.546   0.200   2.166
  720   1HD2  LEU  88          2HD2      LEU  88   3.562  -2.989   3.744
  721   2HD2  LEU  88          1HD2      LEU  88   2.577  -2.275   2.468
  722   3HD2  LEU  88          3HD2      LEU  88   4.335  -2.265   2.335
  723    H    GLU  89           H        GLU  89   3.533   2.141   6.883
  724    HA   GLU  89           HA       GLU  89   1.852   0.510   8.498
  725   1HB   GLU  89           HB2      GLU  89   1.959   3.461   7.926
  726   2HB   GLU  89           HB3      GLU  89   0.744   2.751   8.979
  727   1HG   GLU  89           HG2      GLU  89   2.419   1.936  10.456
  728   2HG   GLU  89           HG3      GLU  89   3.704   2.483   9.385
  729    H    LEU  90           H        LEU  90   0.399  -0.746   7.397
  730    HA   LEU  90           HA       LEU  90  -1.397   0.648   5.529
  731   1HB   LEU  90           HB2      LEU  90  -0.834  -2.299   5.846
  732   2HB   LEU  90           HB3      LEU  90  -2.055  -1.640   4.778
  733    HG   LEU  90           HG       LEU  90   0.927  -1.211   4.562
  734   1HD1  LEU  90          1HD1      LEU  90  -1.038  -2.774   2.898
  735   2HD1  LEU  90          3HD1      LEU  90   0.623  -2.428   2.418
  736   3HD1  LEU  90          2HD1      LEU  90   0.305  -3.412   3.845
  737   1HD2  LEU  90          1HD2      LEU  90  -1.317  -0.156   2.844
  738   2HD2  LEU  90          3HD2      LEU  90  -0.252   0.797   3.878
  739   3HD2  LEU  90          2HD2      LEU  90   0.403  -0.036   2.469
  740    H    VAL  91           H        VAL  91  -3.583   0.694   5.872
  741    HA   VAL  91           HA       VAL  91  -4.631  -0.699   8.237
  742    HB   VAL  91           HB       VAL  91  -5.985   1.707   8.287
  743   1HG1  VAL  91          3HG1      VAL  91  -3.693   0.665   9.927
  744   2HG1  VAL  91          2HG1      VAL  91  -4.591   2.122  10.352
  745   3HG1  VAL  91          1HG1      VAL  91  -5.422   0.567  10.269
  746   1HG2  VAL  91          3HG2      VAL  91  -4.379   2.727   6.766
  747   2HG2  VAL  91          2HG2      VAL  91  -4.270   3.448   8.374
  748   3HG2  VAL  91          1HG2      VAL  91  -3.055   2.280   7.848
  749    H    TYR  92           H        TYR  92  -7.010  -0.583   8.370
  750    HA   TYR  92           HA       TYR  92  -8.262  -0.732   5.708
  751   1HB   TYR  92           HB2      TYR  92  -8.262  -2.503   7.883
  752   2HB   TYR  92           HB3      TYR  92  -9.854  -1.761   7.913
  753    HD1  TYR  92           HD1      TYR  92  -9.393  -4.660   7.490
  754    HD2  TYR  92           HD2      TYR  92  -9.658  -1.468   4.687
  755    HE1  TYR  92           HE1      TYR  92 -10.155  -6.242   5.769
  756    HE2  TYR  92           HE2      TYR  92 -10.420  -3.043   2.962
  757    HH   TYR  92           HH       TYR  92 -11.432  -6.200   3.669
  758    H    THR  93           H        THR  93  -8.631   1.569   5.584
  759    HA   THR  93           HA       THR  93 -10.698   2.552   7.455
  760    HB   THR  93           HB       THR  93  -8.587   3.629   7.943
  761    HG1  THR  93           HG1      THR  93 -10.591   4.889   7.911
  762   1HG2  THR  93          2HG2      THR  93  -8.533   3.933   4.986
  763   2HG2  THR  93          1HG2      THR  93  -7.825   5.225   5.962
  764   3HG2  THR  93          3HG2      THR  93  -7.223   3.573   6.114
  765    H    ARG  94           H        ARG  94 -12.068   4.261   6.671
  766    HA   ARG  94           HA       ARG  94 -12.722   3.956   3.843
  767   1HB   ARG  94           HB2      ARG  94 -14.221   5.438   6.008
  768   2HB   ARG  94           HB3      ARG  94 -14.817   5.063   4.398
  769   1HG   ARG  94           HG2      ARG  94 -14.746   2.683   4.918
  770   2HG   ARG  94           HG3      ARG  94 -14.134   3.055   6.531
  771   1HD   ARG  94           HD2      ARG  94 -16.517   2.621   6.617
  772   2HD   ARG  94           HD3      ARG  94 -16.185   4.307   7.013
  773    HE   ARG  94           HE       ARG  94 -16.708   4.156   4.278
  774   1HH1  ARG  94          1HH1      ARG  94 -18.370   3.673   7.304
  775   2HH1  ARG  94          2HH1      ARG  94 -19.923   4.101   6.666
  776   1HH2  ARG  94          1HH2      ARG  94 -18.749   4.721   3.432
  777   2HH2  ARG  94          2HH2      ARG  94 -20.138   4.696   4.467
  778    HA   PRO  95           HA       PRO  95 -10.018   7.547   3.000
  779   1HB   PRO  95           HB2      PRO  95 -11.875   7.400   0.663
  780   2HB   PRO  95           HB3      PRO  95 -10.129   7.663   0.695
  781   1HG   PRO  95           HG2      PRO  95 -11.291   5.251   0.146
  782   2HG   PRO  95           HG3      PRO  95  -9.671   5.432   0.831
  783   1HD   PRO  95           HD2      PRO  95 -12.048   4.347   2.070
  784   2HD   PRO  95           HD3      PRO  95 -10.392   4.388   2.692
  785    H    PHE  96           H        PHE  96 -13.553   7.550   2.447
  786    HA   PHE  96           HA       PHE  96 -13.677  10.414   2.601
  787   1HB   PHE  96           HB2      PHE  96 -16.260   9.602   2.749
  788   2HB   PHE  96           HB3      PHE  96 -15.381   9.841   1.248
  789    HD1  PHE  96           HD1      PHE  96 -14.660   7.963  -0.078
  790    HD2  PHE  96           HD2      PHE  96 -16.731   7.386   3.594
  791    HE1  PHE  96           HE1      PHE  96 -15.064   5.611  -0.679
  792    HE2  PHE  96           HE2      PHE  96 -17.137   5.034   3.002
  793    HZ   PHE  96           HZ       PHE  96 -16.303   4.143   0.862
  794    H    GLU  97           H        GLU  97 -14.960   7.759   4.619
  795    HA   GLU  97           HA       GLU  97 -15.909   9.511   6.652
  796   1HB   GLU  97           HB2      GLU  97 -15.398   6.541   6.621
  797   2HB   GLU  97           HB3      GLU  97 -16.082   7.381   8.004
  798   1HG   GLU  97           HG2      GLU  97 -17.279   7.251   5.245
  799   2HG   GLU  97           HG3      GLU  97 -17.810   6.334   6.653
  800    H    GLY  98           H        GLY  98 -12.834   9.052   5.800
  801   1HA   GLY  98           HA3      GLY  98 -11.828   9.936   8.337
  802   2HA   GLY  98           HA2      GLY  98 -10.871   9.625   6.894
  803    H    ILE  99           H        ILE  99  -9.820   8.911   9.264
  804    HA   ILE  99           HA       ILE  99 -10.065   5.983   9.193
  805    HB   ILE  99           HB       ILE  99  -7.601   7.418  10.104
  806   1HG1  ILE  99          2HG1      ILE  99  -8.222   6.548   7.274
  807   2HG1  ILE  99          3HG1      ILE  99  -8.205   8.221   7.822
  808   1HG2  ILE  99          2HG2      ILE  99  -8.417   4.655   9.451
  809   2HG2  ILE  99          1HG2      ILE  99  -6.791   5.134   8.953
  810   3HG2  ILE  99          3HG2      ILE  99  -7.264   5.245  10.649
  811   1HD1  ILE  99          1HD1      ILE  99  -5.819   7.961   8.399
  812   2HD1  ILE  99          3HD1      ILE  99  -5.868   6.326   7.738
  813   3HD1  ILE  99          2HD1      ILE  99  -6.150   7.713   6.685
  814    H    LYS 100           H        LYS 100  -9.672   4.817  11.116
  815    HA   LYS 100           HA       LYS 100  -9.786   6.247  13.649
  816   1HB   LYS 100           HB2      LYS 100 -11.897   4.262  12.778
  817   2HB   LYS 100           HB3      LYS 100 -11.732   4.907  14.404
  818   1HG   LYS 100           HG2      LYS 100 -12.245   7.124  13.640
  819   2HG   LYS 100           HG3      LYS 100 -12.242   6.587  11.960
  820   1HD   LYS 100           HD2      LYS 100 -14.120   5.469  14.029
  821   2HD   LYS 100           HD3      LYS 100 -14.516   6.873  13.037
  822   1HE   LYS 100           HE2      LYS 100 -14.273   5.559  11.019
  823   2HE   LYS 100           HE3      LYS 100 -13.759   4.160  11.961
  824   1HZ   LYS 100           HZ3      LYS 100 -15.936   4.114  13.011
  825   2HZ   LYS 100           HZ2      LYS 100 -16.428   5.454  12.105
  826   3HZ   LYS 100           HZ1      LYS 100 -16.081   3.993  11.329
  827    HA   PRO 101           HA       PRO 101  -7.235   2.996  15.153
  828   1HB   PRO 101           HB2      PRO 101  -8.379   2.439  17.596
  829   2HB   PRO 101           HB3      PRO 101  -7.303   3.801  17.281
  830   1HG   PRO 101           HG2      PRO 101 -10.288   3.736  17.405
  831   2HG   PRO 101           HG3      PRO 101  -9.166   4.958  18.030
  832   1HD   PRO 101           HD2      PRO 101 -10.525   5.335  15.752
  833   2HD   PRO 101           HD3      PRO 101  -8.864   5.931  15.956
  834    H    GLU 102           H        GLU 102 -10.703   2.430  15.429
  835    HA   GLU 102           HA       GLU 102 -10.671  -0.318  15.879
  836   1HB   GLU 102           HB2      GLU 102 -12.971  -0.287  14.894
  837   2HB   GLU 102           HB3      GLU 102 -12.700   0.881  16.182
  838   1HG   GLU 102           HG2      GLU 102 -12.357   2.626  14.523
  839   2HG   GLU 102           HG3      GLU 102 -12.642   1.457  13.238
  840    H    ASN 103           H        ASN 103  -9.655   1.350  13.137
  841    HA   ASN 103           HA       ASN 103 -10.399  -0.522  11.127
  842   1HB   ASN 103           HB2      ASN 103  -8.256   1.602  11.184
  843   2HB   ASN 103           HB3      ASN 103  -8.671   0.661   9.756
  844   1HD2  ASN 103          1HD2      ASN 103 -11.524   0.618  10.456
  845   2HD2  ASN 103          2HD2      ASN 103 -12.120   2.194  10.079
  846    H    GLU 104           H        GLU 104  -9.309  -2.231  10.249
  847    HA   GLU 104           HA       GLU 104  -7.617  -3.741  11.824
  848   1HB   GLU 104           HB2      GLU 104  -8.687  -3.838   9.134
  849   2HB   GLU 104           HB3      GLU 104  -7.063  -4.495   9.211
  850   1HG   GLU 104           HG2      GLU 104  -8.451  -6.323   9.586
  851   2HG   GLU 104           HG3      GLU 104  -7.895  -5.860  11.190
  852    H    ARG 105           H        ARG 105  -5.377  -4.406  11.315
  853    HA   ARG 105           HA       ARG 105  -3.780  -2.116  10.369
  854   1HB   ARG 105           HB2      ARG 105  -3.721  -2.366  12.829
  855   2HB   ARG 105           HB3      ARG 105  -3.122  -4.004  12.638
  856   1HG   ARG 105           HG2      ARG 105  -1.087  -3.115  12.835
  857   2HG   ARG 105           HG3      ARG 105  -1.328  -2.540  11.181
  858   1HD   ARG 105           HD2      ARG 105  -0.623  -0.710  12.591
  859   2HD   ARG 105           HD3      ARG 105  -2.280  -0.459  12.038
  860    HE   ARG 105           HE       ARG 105  -2.524  -1.700  14.465
  861   1HH1  ARG 105          1HH1      ARG 105  -1.008   1.214  13.305
  862   2HH1  ARG 105          2HH1      ARG 105  -1.220   2.072  14.795
  863   1HH2  ARG 105          1HH2      ARG 105  -2.808  -0.580  16.429
  864   2HH2  ARG 105          2HH2      ARG 105  -2.242   1.052  16.572
  865    H    TYR 106           H        TYR 106  -1.675  -2.616   9.577
  866    HA   TYR 106           HA       TYR 106  -0.654  -5.198   9.182
  867   1HB   TYR 106           HB2      TYR 106  -2.543  -5.276   7.519
  868   2HB   TYR 106           HB3      TYR 106  -1.757  -3.959   6.646
  869    HD1  TYR 106           HD1      TYR 106  -1.731  -7.495   7.455
  870    HD2  TYR 106           HD2      TYR 106   0.373  -4.385   5.464
  871    HE1  TYR 106           HE1      TYR 106  -0.414  -9.170   6.248
  872    HE2  TYR 106           HE2      TYR 106   1.702  -6.055   4.246
  873    HH   TYR 106           HH       TYR 106   2.393  -8.404   4.504
  874    H    THR 107           H        THR 107   0.742  -3.586  10.284
  875    HA   THR 107           HA       THR 107   2.069  -1.649   8.586
  876    HB   THR 107           HB       THR 107   2.795  -2.388  11.420
  877    HG1  THR 107           HG1      THR 107   0.481  -1.597  10.822
  878   1HG2  THR 107          2HG2      THR 107   3.187   0.117   9.783
  879   2HG2  THR 107          1HG2      THR 107   3.618  -0.066  11.484
  880   3HG2  THR 107          3HG2      THR 107   4.437  -1.032  10.257
  881    H    LEU 108           H        LEU 108   3.176  -2.857   7.066
  882    HA   LEU 108           HA       LEU 108   4.862  -5.050   7.747
  883   1HB   LEU 108           HB2      LEU 108   3.882  -4.870   5.542
  884   2HB   LEU 108           HB3      LEU 108   4.702  -3.352   5.262
  885    HG   LEU 108           HG       LEU 108   6.878  -4.542   5.346
  886   1HD1  LEU 108          2HD1      LEU 108   5.148  -7.007   5.476
  887   2HD1  LEU 108          1HD1      LEU 108   6.893  -6.986   5.214
  888   3HD1  LEU 108          3HD1      LEU 108   6.223  -6.419   6.745
  889   1HD2  LEU 108          2HD2      LEU 108   4.880  -5.564   3.339
  890   2HD2  LEU 108          1HD2      LEU 108   5.843  -4.094   3.211
  891   3HD2  LEU 108          3HD2      LEU 108   6.632  -5.670   3.176
  892    H    HIS 109           H        HIS 109   6.365  -4.453   9.274
  893    HA   HIS 109           HA       HIS 109   8.019  -2.129   8.917
  894   1HB   HIS 109           HB2      HIS 109   7.856  -4.310  10.937
  895   2HB   HIS 109           HB3      HIS 109   9.295  -3.301  10.868
  896    HD1  HIS 109           HD1      HIS 109   9.160  -1.066  11.986
  897    HD2  HIS 109           HD2      HIS 109   5.430  -2.826  11.486
  898    HE1  HIS 109           HE1      HIS 109   7.550   0.408  13.235
  899    HE2  HIS 109           HE2      HIS 109   5.311  -0.722  12.987
  900    H    LEU 110           H        LEU 110  10.145  -2.043   8.366
  901    HA   LEU 110           HA       LEU 110  11.459  -4.458   7.402
  902   1HB   LEU 110           HB2      LEU 110  10.992  -2.002   5.714
  903   2HB   LEU 110           HB3      LEU 110  12.049  -3.325   5.268
  904    HG   LEU 110           HG       LEU 110   9.067  -3.571   5.703
  905   1HD1  LEU 110          3HD1      LEU 110  10.658  -3.421   3.147
  906   2HD1  LEU 110          2HD1      LEU 110   8.934  -3.773   3.264
  907   3HD1  LEU 110          1HD1      LEU 110   9.548  -2.196   3.760
  908   1HD2  LEU 110          2HD2      LEU 110  10.409  -5.622   6.126
  909   2HD2  LEU 110          1HD2      LEU 110   9.275  -5.770   4.784
  910   3HD2  LEU 110          3HD2      LEU 110  10.992  -5.527   4.465
  911    H    ASN 111           H        ASN 111  13.291  -4.421   8.571
  912    HA   ASN 111           HA       ASN 111  14.605  -1.945   9.246
  913   1HB   ASN 111           HB2      ASN 111  15.091  -4.847   9.841
  914   2HB   ASN 111           HB3      ASN 111  16.367  -3.670  10.122
  915   1HD2  ASN 111          1HD2      ASN 111  16.342  -3.971  12.328
  916   2HD2  ASN 111          2HD2      ASN 111  15.056  -3.402  13.330
  917    H    VAL 112           H        VAL 112  14.700  -1.508   6.854
  918    HA   VAL 112           HA       VAL 112  16.197  -2.847   4.994
  919    HB   VAL 112           HB       VAL 112  16.443   0.131   5.112
  920   1HG1  VAL 112          3HG1      VAL 112  17.380  -1.180   3.238
  921   2HG1  VAL 112          2HG1      VAL 112  15.754  -1.760   2.875
  922   3HG1  VAL 112          1HG1      VAL 112  16.130  -0.044   2.729
  923   1HG2  VAL 112          3HG2      VAL 112  13.892  -1.405   4.717
  924   2HG2  VAL 112          2HG2      VAL 112  14.203  -0.062   5.815
  925   3HG2  VAL 112          1HG2      VAL 112  14.129   0.220   4.077
  926    H    LYS 113           H        LYS 113  18.189  -3.644   5.225
  927    HA   LYS 113           HA       LYS 113  20.176  -2.154   6.759
  928   1HB   LYS 113           HB2      LYS 113  20.131  -4.984   5.715
  929   2HB   LYS 113           HB3      LYS 113  21.489  -4.276   6.564
  930   1HG   LYS 113           HG2      LYS 113  18.720  -4.631   7.681
  931   2HG   LYS 113           HG3      LYS 113  20.108  -5.663   8.023
  932   1HD   LYS 113           HD2      LYS 113  21.281  -3.788   9.034
  933   2HD   LYS 113           HD3      LYS 113  19.933  -2.716   8.646
  934   1HE   LYS 113           HE2      LYS 113  18.464  -4.014  10.084
  935   2HE   LYS 113           HE3      LYS 113  19.779  -5.131  10.441
  936   1HZ   LYS 113           HZ2      LYS 113  19.732  -2.242  11.132
  937   2HZ   LYS 113           HZ1      LYS 113  19.485  -3.518  12.214
  938   3HZ   LYS 113           HZ3      LYS 113  20.994  -3.314  11.476

  No H/Q in entry =         938
  Start of MODEL   33
    1    H1   GLY  -2           HT1      GLY  -2  -8.334 -16.520  31.613
    2    H2   GLY  -2           HT3      GLY  -2 -10.025 -16.532  31.686
    3    H3   GLY  -2           HT2      GLY  -2  -9.174 -17.983  31.505
    4   1HA   GLY  -2           HA2      GLY  -2 -10.149 -17.323  29.405
    5   2HA   GLY  -2           HA3      GLY  -2  -8.394 -17.309  29.329
    6    H    SER  -1           H        SER  -1  -7.561 -15.022  30.266
    7    HA   SER  -1           HA       SER  -1  -9.182 -12.859  29.160
    8   1HB   SER  -1           HB2      SER  -1  -6.614 -12.773  30.761
    9   2HB   SER  -1           HB3      SER  -1  -7.543 -11.364  30.249
   10    HG   SER  -1           HG       SER  -1  -9.339 -12.444  31.436
   11    H    HIS   0           H        HIS   0  -8.463 -11.474  27.546
   12    HA   HIS   0           HA       HIS   0  -6.394 -12.612  25.814
   13   1HB   HIS   0           HB2      HIS   0  -8.500 -10.515  25.243
   14   2HB   HIS   0           HB3      HIS   0  -7.357 -11.152  24.066
   15    HD1  HIS   0           HD1      HIS   0  -7.909 -13.370  22.977
   16    HD2  HIS   0           HD2      HIS   0 -10.516 -12.372  26.056
   17    HE1  HIS   0           HE1      HIS   0  -9.790 -15.034  22.833
   18    HE2  HIS   0           HE2      HIS   0 -11.392 -14.364  24.659
   19    H    MET   1           H        MET   1  -5.995 -10.897  28.279
   20    HA   MET   1           HA       MET   1  -4.566  -9.285  28.993
   21   1HB   MET   1           HB2      MET   1  -3.456  -9.516  26.190
   22   2HB   MET   1           HB3      MET   1  -2.667  -8.694  27.528
   23   1HG   MET   1           HG2      MET   1  -2.529 -10.806  28.747
   24   2HG   MET   1           HG3      MET   1  -3.318 -11.629  27.403
   25   1HE   MET   1           HE3      MET   1  -0.535 -12.554  28.664
   26   2HE   MET   1           HE2      MET   1  -1.316 -13.388  27.321
   27   3HE   MET   1           HE1      MET   1   0.382 -12.924  27.203
   28    H    ILE   2           H        ILE   2  -3.605  -7.003  28.227
   29    HA   ILE   2           HA       ILE   2  -5.656  -5.561  26.705
   30    HB   ILE   2           HB       ILE   2  -5.655  -3.744  28.396
   31   1HG1  ILE   2          2HG1      ILE   2  -4.250  -5.773  30.150
   32   2HG1  ILE   2          3HG1      ILE   2  -3.481  -4.353  29.448
   33   1HG2  ILE   2          3HG2      ILE   2  -7.460  -5.374  28.330
   34   2HG2  ILE   2          2HG2      ILE   2  -6.556  -6.438  29.408
   35   3HG2  ILE   2          1HG2      ILE   2  -7.130  -4.876  29.990
   36   1HD1  ILE   2          2HD1      ILE   2  -4.987  -2.912  30.715
   37   2HD1  ILE   2          1HD1      ILE   2  -5.751  -4.335  31.421
   38   3HD1  ILE   2          3HD1      ILE   2  -4.060  -3.978  31.769
   39    H    ALA   3           H        ALA   3  -2.836  -6.377  26.232
   40    HA   ALA   3           HA       ALA   3  -1.012  -4.317  26.505
   41   1HB   ALA   3           HB1      ALA   3  -1.227  -6.229  24.182
   42   2HB   ALA   3           HB3      ALA   3   0.203  -5.307  24.649
   43   3HB   ALA   3           HB2      ALA   3  -0.426  -6.560  25.718
   44    HA   PRO   4           HA       PRO   4  -2.543  -2.651  22.116
   45   1HB   PRO   4           HB2      PRO   4  -5.415  -3.351  22.438
   46   2HB   PRO   4           HB3      PRO   4  -4.415  -3.344  20.982
   47   1HG   PRO   4           HG2      PRO   4  -5.107  -5.638  22.143
   48   2HG   PRO   4           HG3      PRO   4  -3.488  -5.419  21.451
   49   1HD   PRO   4           HD2      PRO   4  -4.352  -5.366  24.312
   50   2HD   PRO   4           HD3      PRO   4  -2.874  -6.034  23.591
   51    H    LEU   5           H        LEU   5  -3.364  -0.554  21.879
   52    HA   LEU   5           HA       LEU   5  -5.072   0.537  23.965
   53   1HB   LEU   5           HB2      LEU   5  -2.823   0.762  24.896
   54   2HB   LEU   5           HB3      LEU   5  -2.292   1.590  23.445
   55    HG   LEU   5           HG       LEU   5  -3.841   3.446  23.952
   56   1HD1  LEU   5          3HD1      LEU   5  -4.371   1.909  26.492
   57   2HD1  LEU   5          2HD1      LEU   5  -4.912   3.553  26.150
   58   3HD1  LEU   5          1HD1      LEU   5  -5.526   2.206  25.192
   59   1HD2  LEU   5          2HD2      LEU   5  -1.958   2.736  26.197
   60   2HD2  LEU   5          1HD2      LEU   5  -1.527   3.561  24.700
   61   3HD2  LEU   5          3HD2      LEU   5  -2.601   4.342  25.860
   62    H    SER   6           H        SER   6  -2.852   1.858  21.505
   63    HA   SER   6           HA       SER   6  -5.186   3.073  20.183
   64   1HB   SER   6           HB2      SER   6  -3.976   4.799  21.436
   65   2HB   SER   6           HB3      SER   6  -2.478   4.358  20.615
   66    HG   SER   6           HG       SER   6  -3.265   5.159  18.732
   67    H    VAL   7           H        VAL   7  -2.944   0.802  19.847
   68    HA   VAL   7           HA       VAL   7  -2.970   0.999  16.944
   69    HB   VAL   7           HB       VAL   7  -0.870   2.118  17.619
   70   1HG1  VAL   7          3HG1      VAL   7  -0.465   0.920  19.702
   71   2HG1  VAL   7          2HG1      VAL   7  -0.153  -0.562  18.800
   72   3HG1  VAL   7          1HG1      VAL   7   0.934   0.816  18.633
   73   1HG2  VAL   7          1HG2      VAL   7  -0.986   0.965  15.481
   74   2HG2  VAL   7          3HG2      VAL   7   0.628   0.823  16.177
   75   3HG2  VAL   7          2HG2      VAL   7  -0.486  -0.542  16.250
   76    H    LYS   8           H        LYS   8  -2.539  -1.007  15.882
   77    HA   LYS   8           HA       LYS   8  -2.530  -3.363  17.639
   78   1HB   LYS   8           HB2      LYS   8  -4.132  -3.263  15.101
   79   2HB   LYS   8           HB3      LYS   8  -4.240  -4.422  16.413
   80   1HG   LYS   8           HG2      LYS   8  -5.021  -1.527  16.657
   81   2HG   LYS   8           HG3      LYS   8  -6.145  -2.839  16.299
   82   1HD   LYS   8           HD2      LYS   8  -5.582  -3.914  18.415
   83   2HD   LYS   8           HD3      LYS   8  -4.426  -2.630  18.770
   84   1HE   LYS   8           HE2      LYS   8  -7.403  -2.293  18.427
   85   2HE   LYS   8           HE3      LYS   8  -6.528  -2.278  19.958
   86   1HZ   LYS   8           HZ3      LYS   8  -5.329  -0.315  19.206
   87   2HZ   LYS   8           HZ2      LYS   8  -6.183  -0.326  17.746
   88   3HZ   LYS   8           HZ1      LYS   8  -6.998  -0.041  19.200
   89    H    ASP   9           H        ASP   9  -0.631  -4.265  17.243
   90    HA   ASP   9           HA       ASP   9   0.807  -3.968  14.837
   91   1HB   ASP   9           HB2      ASP   9   1.163  -5.914  17.125
   92   2HB   ASP   9           HB3      ASP   9   2.326  -5.660  15.835
   93    H    ASN  10           H        ASN  10   0.794  -5.142  13.017
   94    HA   ASN  10           HA       ASN  10  -0.924  -7.519  12.953
   95   1HB   ASN  10           HB2      ASN  10  -0.922  -5.284  11.333
   96   2HB   ASN  10           HB3      ASN  10  -0.042  -6.465  10.362
   97   1HD2  ASN  10          1HD2      ASN  10  -2.529  -7.298  12.678
   98   2HD2  ASN  10          2HD2      ASN  10  -3.684  -7.853  11.521
   99    H    ASP  11           H        ASP  11   2.303  -6.444  12.629
  100    HA   ASP  11           HA       ASP  11   3.213  -9.170  12.257
  101   1HB   ASP  11           HB2      ASP  11   4.075  -6.986  10.346
  102   2HB   ASP  11           HB3      ASP  11   4.655  -8.649  10.355
  103    H    LYS  12           H        LYS  12   5.894  -8.056  11.480
  104    HA   LYS  12           HA       LYS  12   6.645  -6.725  13.978
  105   1HB   LYS  12           HB2      LYS  12   8.436  -8.215  14.383
  106   2HB   LYS  12           HB3      LYS  12   7.042  -9.226  14.033
  107   1HG   LYS  12           HG2      LYS  12   9.092  -8.516  11.959
  108   2HG   LYS  12           HG3      LYS  12   9.213  -9.941  12.992
  109   1HD   LYS  12           HD2      LYS  12   6.969 -10.647  12.163
  110   2HD   LYS  12           HD3      LYS  12   7.022  -9.300  11.024
  111   1HE   LYS  12           HE2      LYS  12   7.721 -11.374   9.953
  112   2HE   LYS  12           HE3      LYS  12   9.053 -10.219  10.025
  113   1HZ   LYS  12           HZ2      LYS  12   8.649 -12.504  11.878
  114   2HZ   LYS  12           HZ1      LYS  12   9.777 -12.443  10.620
  115   3HZ   LYS  12           HZ3      LYS  12   9.927 -11.399  11.943
  116    H    TRP  13           H        TRP  13   9.322  -6.474  13.610
  117    HA   TRP  13           HA       TRP  13   9.648  -5.187  11.003
  118   1HB   TRP  13           HB2      TRP  13  10.436  -4.066  13.698
  119   2HB   TRP  13           HB3      TRP  13  10.768  -3.318  12.144
  120    HD1  TRP  13           HD1      TRP  13   8.002  -3.664  10.735
  121    HE1  TRP  13           HE1      TRP  13   5.938  -2.363  11.536
  122    HE3  TRP  13           HE3      TRP  13   9.509  -2.594  15.503
  123    HZ2  TRP  13           HZ2      TRP  13   5.040  -1.063  13.868
  124    HZ3  TRP  13           HZ3      TRP  13   7.986  -1.318  16.956
  125    HH2  TRP  13           HH2      TRP  13   5.804  -0.567  16.156
  126    H    VAL  14           H        VAL  14  11.460  -5.863   9.931
  127    HA   VAL  14           HA       VAL  14  13.819  -6.650  11.465
  128    HB   VAL  14           HB       VAL  14  14.080  -8.817  10.457
  129   1HG1  VAL  14          1HG1      VAL  14  12.806  -8.740  12.528
  130   2HG1  VAL  14          3HG1      VAL  14  11.310  -8.543  11.613
  131   3HG1  VAL  14          2HG1      VAL  14  12.231 -10.041  11.485
  132   1HG2  VAL  14          2HG2      VAL  14  12.923  -8.206   8.308
  133   2HG2  VAL  14          1HG2      VAL  14  12.552  -9.813   8.936
  134   3HG2  VAL  14          3HG2      VAL  14  11.395  -8.500   9.138
  135    H    ASP  15           H        ASP  15  15.709  -6.860  10.228
  136    HA   ASP  15           HA       ASP  15  16.122  -4.901   8.351
  137   1HB   ASP  15           HB2      ASP  15  18.273  -5.855   7.990
  138   2HB   ASP  15           HB3      ASP  15  17.847  -6.142   9.679
  139    H    THR  16           H        THR  16  17.006  -5.259   6.105
  140    HA   THR  16           HA       THR  16  16.092  -7.425   4.530
  141    HB   THR  16           HB       THR  16  13.901  -6.289   5.028
  142    HG1  THR  16           HG1      THR  16  13.234  -6.851   3.065
  143   1HG2  THR  16          2HG2      THR  16  15.074  -4.103   3.305
  144   2HG2  THR  16          1HG2      THR  16  13.391  -4.212   3.819
  145   3HG2  THR  16          3HG2      THR  16  14.665  -3.974   5.015
  146    H    HIS  17           H        HIS  17  15.823  -6.272   2.053
  147    HA   HIS  17           HA       HIS  17  18.459  -5.021   1.713
  148   1HB   HIS  17           HB2      HIS  17  16.738  -6.677  -0.121
  149   2HB   HIS  17           HB3      HIS  17  18.110  -5.754  -0.722
  150    HD1  HIS  17           HD1      HIS  17  17.213  -8.914   0.904
  151    HD2  HIS  17           HD2      HIS  17  20.650  -6.645   0.349
  152    HE1  HIS  17           HE1      HIS  17  19.130 -10.460   1.415
  153    HE2  HIS  17           HE2      HIS  17  21.196  -9.045   1.141
  154    H    VAL  18           H        VAL  18  18.366  -3.831  -0.647
  155    HA   VAL  18           HA       VAL  18  16.499  -1.625  -0.190
  156    HB   VAL  18           HB       VAL  18  18.859  -1.035  -0.360
  157   1HG1  VAL  18          1HG1      VAL  18  19.605  -2.848  -1.803
  158   2HG1  VAL  18          3HG1      VAL  18  18.702  -2.162  -3.154
  159   3HG1  VAL  18          2HG1      VAL  18  20.072  -1.285  -2.473
  160   1HG2  VAL  18          2HG2      VAL  18  17.238  -0.086  -2.720
  161   2HG2  VAL  18          1HG2      VAL  18  17.215   0.597  -1.094
  162   3HG2  VAL  18          3HG2      VAL  18  18.675   0.709  -2.077
  163    H    GLY  19           H        GLY  19  15.048  -0.908  -1.649
  164   1HA   GLY  19           HA3      GLY  19  14.891  -1.427  -4.366
  165   2HA   GLY  19           HA2      GLY  19  13.526  -1.025  -3.344
  166    H    LYS  20           H        LYS  20  14.332  -3.639  -1.820
  167    HA   LYS  20           HA       LYS  20  13.773  -5.755  -3.604
  168   1HB   LYS  20           HB2      LYS  20  14.641  -5.606  -1.025
  169   2HB   LYS  20           HB3      LYS  20  12.990  -6.141  -0.790
  170   1HG   LYS  20           HG2      LYS  20  14.184  -8.114  -0.916
  171   2HG   LYS  20           HG3      LYS  20  13.536  -7.927  -2.551
  172   1HD   LYS  20           HD2      LYS  20  15.591  -7.216  -3.405
  173   2HD   LYS  20           HD3      LYS  20  16.214  -6.847  -1.802
  174   1HE   LYS  20           HE2      LYS  20  16.272  -9.234  -1.269
  175   2HE   LYS  20           HE3      LYS  20  15.623  -9.608  -2.866
  176   1HZ   LYS  20           HZ3      LYS  20  18.230  -8.291  -2.326
  177   2HZ   LYS  20           HZ2      LYS  20  18.016  -9.902  -2.795
  178   3HZ   LYS  20           HZ1      LYS  20  17.608  -8.651  -3.858
  179    H    THR  21           H        THR  21  12.011  -4.837  -4.766
  180    HA   THR  21           HA       THR  21   9.611  -3.920  -3.908
  181    HB   THR  21           HB       THR  21   9.750  -5.906  -6.163
  182    HG1  THR  21           HG1      THR  21  10.619  -4.302  -7.438
  183   1HG2  THR  21          2HG2      THR  21   7.549  -4.979  -5.549
  184   2HG2  THR  21          1HG2      THR  21   8.181  -3.351  -5.790
  185   3HG2  THR  21          3HG2      THR  21   8.059  -4.461  -7.156
  186    H    THR  22           H        THR  22   8.607  -4.750  -2.168
  187    HA   THR  22           HA       THR  22   8.091  -7.627  -2.059
  188    HB   THR  22           HB       THR  22   7.510  -5.506   0.022
  189    HG1  THR  22           HG1      THR  22   9.423  -6.064   0.919
  190   1HG2  THR  22          2HG2      THR  22   7.471  -8.523   0.194
  191   2HG2  THR  22          1HG2      THR  22   7.241  -7.415   1.547
  192   3HG2  THR  22          3HG2      THR  22   6.063  -7.462   0.237
  193    H    GLU  23           H        GLU  23   6.451  -8.113  -3.355
  194    HA   GLU  23           HA       GLU  23   4.126  -6.463  -3.616
  195   1HB   GLU  23           HB2      GLU  23   5.055  -7.771  -5.489
  196   2HB   GLU  23           HB3      GLU  23   4.703  -9.255  -4.614
  197   1HG   GLU  23           HG2      GLU  23   2.370  -8.913  -4.785
  198   2HG   GLU  23           HG3      GLU  23   2.600  -7.259  -5.351
  199    H    ILE  24           H        ILE  24   2.288  -6.618  -2.512
  200    HA   ILE  24           HA       ILE  24   1.797  -9.046  -0.938
  201    HB   ILE  24           HB       ILE  24   1.348  -6.241   0.047
  202   1HG1  ILE  24          2HG1      ILE  24   3.433  -8.283   0.833
  203   2HG1  ILE  24          3HG1      ILE  24   3.734  -6.782  -0.033
  204   1HG2  ILE  24          3HG2      ILE  24  -0.276  -7.893   0.868
  205   2HG2  ILE  24          2HG2      ILE  24   1.053  -8.883   1.469
  206   3HG2  ILE  24          1HG2      ILE  24   0.761  -7.287   2.160
  207   1HD1  ILE  24          2HD1      ILE  24   3.004  -5.512   1.922
  208   2HD1  ILE  24          1HD1      ILE  24   2.730  -7.021   2.792
  209   3HD1  ILE  24          3HD1      ILE  24   4.361  -6.575   2.292
  210    H    HIS  25           H        HIS  25   0.103  -9.885  -1.969
  211    HA   HIS  25           HA       HIS  25  -2.091  -8.209  -2.856
  212   1HB   HIS  25           HB2      HIS  25  -2.106 -11.208  -2.893
  213   2HB   HIS  25           HB3      HIS  25  -2.912 -10.091  -3.977
  214    HD1  HIS  25           HD1      HIS  25  -0.092 -12.275  -3.847
  215    HD2  HIS  25           HD2      HIS  25  -0.907  -8.622  -5.647
  216    HE1  HIS  25           HE1      HIS  25   1.607 -12.039  -5.685
  217    HE2  HIS  25           HE2      HIS  25   1.006  -9.884  -6.843
  218    H    LEU  26           H        LEU  26  -3.119  -7.464  -1.059
  219    HA   LEU  26           HA       LEU  26  -3.812  -9.307   1.087
  220   1HB   LEU  26           HB2      LEU  26  -4.380  -6.363   0.814
  221   2HB   LEU  26           HB3      LEU  26  -4.630  -7.323   2.256
  222    HG   LEU  26           HG       LEU  26  -1.891  -7.052   1.051
  223   1HD1  LEU  26          2HD1      LEU  26  -2.726  -4.782   1.352
  224   2HD1  LEU  26          1HD1      LEU  26  -3.183  -5.161   3.013
  225   3HD1  LEU  26          3HD1      LEU  26  -1.483  -5.161   2.546
  226   1HD2  LEU  26          2HD2      LEU  26  -2.407  -8.758   2.822
  227   2HD2  LEU  26          1HD2      LEU  26  -1.136  -7.607   3.237
  228   3HD2  LEU  26          3HD2      LEU  26  -2.754  -7.415   3.914
  229    H    LYS  27           H        LYS  27  -5.919  -9.787   1.682
  230    HA   LYS  27           HA       LYS  27  -7.874  -9.413  -0.469
  231   1HB   LYS  27           HB2      LYS  27  -8.189 -11.292   1.855
  232   2HB   LYS  27           HB3      LYS  27  -8.988 -11.345   0.292
  233   1HG   LYS  27           HG2      LYS  27  -6.794 -11.853  -0.757
  234   2HG   LYS  27           HG3      LYS  27  -6.096 -11.948   0.863
  235   1HD   LYS  27           HD2      LYS  27  -7.652 -13.751   1.430
  236   2HD   LYS  27           HD3      LYS  27  -8.343 -13.662  -0.191
  237   1HE   LYS  27           HE2      LYS  27  -6.174 -14.259  -1.149
  238   2HE   LYS  27           HE3      LYS  27  -5.480 -14.342   0.470
  239   1HZ   LYS  27           HZ3      LYS  27  -7.018 -16.139   0.990
  240   2HZ   LYS  27           HZ2      LYS  27  -7.662 -16.066  -0.572
  241   3HZ   LYS  27           HZ1      LYS  27  -6.054 -16.535  -0.343
  242    H    GLY  28           H        GLY  28 -10.139  -9.085   0.171
  243   1HA   GLY  28           HA3      GLY  28 -10.354  -6.808   1.850
  244   2HA   GLY  28           HA2      GLY  28 -10.988  -8.226   2.666
  245    H    ASN  29           H        ASN  29 -12.280  -5.740   1.630
  246    HA   ASN  29           HA       ASN  29 -13.845  -6.324  -0.635
  247   1HB   ASN  29           HB2      ASN  29 -14.686  -8.064   1.041
  248   2HB   ASN  29           HB3      ASN  29 -15.370  -6.712   1.940
  249   1HD2  ASN  29          1HD2      ASN  29 -17.108  -5.589   1.097
  250   2HD2  ASN  29          2HD2      ASN  29 -18.050  -6.196  -0.218
  251    HA   PRO  30           HA       PRO  30 -13.771  -1.888   0.511
  252   1HB   PRO  30           HB2      PRO  30 -14.751  -1.159  -1.990
  253   2HB   PRO  30           HB3      PRO  30 -13.047  -1.258  -1.543
  254   1HG   PRO  30           HG2      PRO  30 -14.750  -3.240  -2.984
  255   2HG   PRO  30           HG3      PRO  30 -13.051  -2.809  -3.255
  256   1HD   PRO  30           HD2      PRO  30 -13.726  -5.073  -2.002
  257   2HD   PRO  30           HD3      PRO  30 -12.308  -4.130  -1.495
  258    H    THR  31           H        THR  31 -16.373  -3.750  -0.977
  259    HA   THR  31           HA       THR  31 -18.452  -1.931  -0.781
  260    HB   THR  31           HB       THR  31 -18.991  -4.801  -0.156
  261    HG1  THR  31           HG1      THR  31 -18.761  -5.124  -2.521
  262   1HG2  THR  31          2HG2      THR  31 -20.839  -3.232  -0.450
  263   2HG2  THR  31          1HG2      THR  31 -20.225  -2.800  -2.046
  264   3HG2  THR  31          3HG2      THR  31 -20.820  -4.431  -1.742
  265    H    THR  32           H        THR  32 -16.783  -3.611   1.727
  266    HA   THR  32           HA       THR  32 -18.807  -3.608   3.703
  267    HB   THR  32           HB       THR  32 -16.986  -3.865   5.342
  268    HG1  THR  32           HG1      THR  32 -15.220  -2.827   4.744
  269   1HG2  THR  32          2HG2      THR  32 -17.800  -5.816   4.050
  270   2HG2  THR  32          1HG2      THR  32 -16.520  -5.536   2.870
  271   3HG2  THR  32          3HG2      THR  32 -16.109  -5.971   4.529
  272    H    GLY  33           H        GLY  33 -15.979  -1.444   3.361
  273   1HA   GLY  33           HA3      GLY  33 -17.177   0.463   5.181
  274   2HA   GLY  33           HA2      GLY  33 -17.126   0.989   3.505
  275    H    TYR  34           H        TYR  34 -14.650  -1.003   5.021
  276    HA   TYR  34           HA       TYR  34 -12.902   1.305   5.327
  277   1HB   TYR  34           HB2      TYR  34 -12.521  -1.600   6.062
  278   2HB   TYR  34           HB3      TYR  34 -11.317  -0.344   6.337
  279    HD1  TYR  34           HD1      TYR  34 -14.790  -1.346   7.187
  280    HD2  TYR  34           HD2      TYR  34 -11.391   0.978   8.295
  281    HE1  TYR  34           HE1      TYR  34 -15.849  -0.833   9.345
  282    HE2  TYR  34           HE2      TYR  34 -12.450   1.491  10.455
  283    HH   TYR  34           HH       TYR  34 -14.699   1.582  11.431
  284    H    MET  35           H        MET  35 -10.469   0.603   4.797
  285    HA   MET  35           HA       MET  35 -10.235  -0.622   2.184
  286   1HB   MET  35           HB2      MET  35 -10.518   1.515   1.359
  287   2HB   MET  35           HB3      MET  35  -9.909   2.271   2.823
  288   1HG   MET  35           HG2      MET  35  -7.629   1.432   2.155
  289   2HG   MET  35           HG3      MET  35  -8.343   1.025   0.611
  290   1HE   MET  35           HE2      MET  35  -6.392   2.493  -0.417
  291   2HE   MET  35           HE1      MET  35  -7.874   2.651  -1.357
  292   3HE   MET  35           HE3      MET  35  -6.901   4.077  -0.998
  293    H    TRP  36           H        TRP  36  -8.047  -1.146   1.680
  294    HA   TRP  36           HA       TRP  36  -6.288  -1.157   4.040
  295   1HB   TRP  36           HB2      TRP  36  -6.953  -3.176   2.037
  296   2HB   TRP  36           HB3      TRP  36  -5.227  -2.977   2.281
  297    HD1  TRP  36           HD1      TRP  36  -7.918  -5.025   3.484
  298    HE1  TRP  36           HE1      TRP  36  -7.437  -5.993   5.820
  299    HE3  TRP  36           HE3      TRP  36  -4.038  -1.989   4.836
  300    HZ2  TRP  36           HZ2      TRP  36  -5.651  -5.529   7.953
  301    HZ3  TRP  36           HZ3      TRP  36  -2.997  -2.315   7.039
  302    HH2  TRP  36           HH2      TRP  36  -3.790  -4.049   8.566
  303    H    THR  37           H        THR  37  -5.237   0.777   3.717
  304    HA   THR  37           HA       THR  37  -3.412   0.820   1.417
  305    HB   THR  37           HB       THR  37  -5.348   2.292   0.905
  306    HG1  THR  37           HG1      THR  37  -3.398   2.874  -0.025
  307   1HG2  THR  37          2HG2      THR  37  -4.360   3.844   3.304
  308   2HG2  THR  37          1HG2      THR  37  -5.574   4.406   2.154
  309   3HG2  THR  37          3HG2      THR  37  -5.902   3.001   3.168
  310    H    ARG  38           H        ARG  38  -2.072   3.210   1.980
  311    HA   ARG  38           HA       ARG  38  -0.660   2.419   4.393
  312   1HB   ARG  38           HB2      ARG  38  -0.018   4.019   2.001
  313   2HB   ARG  38           HB3      ARG  38   0.709   4.582   3.491
  314   1HG   ARG  38           HG2      ARG  38   1.785   2.502   3.844
  315   2HG   ARG  38           HG3      ARG  38   0.945   1.786   2.465
  316   1HD   ARG  38           HD2      ARG  38   3.299   2.510   2.039
  317   2HD   ARG  38           HD3      ARG  38   2.121   3.150   0.931
  318    HE   ARG  38           HE       ARG  38   2.359   5.273   1.996
  319   1HH1  ARG  38          1HH1      ARG  38   4.603   2.841   3.088
  320   2HH1  ARG  38          2HH1      ARG  38   5.759   3.987   3.681
  321   1HH2  ARG  38          1HH2      ARG  38   3.890   6.791   2.761
  322   2HH2  ARG  38          2HH2      ARG  38   5.353   6.229   3.498
  323    H    VAL  39           H        VAL  39  -0.452   3.611   6.225
  324    HA   VAL  39           HA       VAL  39  -2.556   5.284   6.991
  325    HB   VAL  39           HB       VAL  39   0.150   5.220   8.321
  326   1HG1  VAL  39          1HG1      VAL  39  -1.397   6.901   9.162
  327   2HG1  VAL  39          3HG1      VAL  39  -2.630   5.664   9.404
  328   3HG1  VAL  39          2HG1      VAL  39  -1.147   5.628  10.357
  329   1HG2  VAL  39          1HG2      VAL  39  -0.561   2.924   7.907
  330   2HG2  VAL  39          3HG2      VAL  39  -0.642   3.311   9.626
  331   3HG2  VAL  39          2HG2      VAL  39  -2.119   3.263   8.662
  332    H    GLY  40           H        GLY  40  -2.896   7.415   6.863
  333   1HA   GLY  40           HA3      GLY  40  -0.695   9.282   6.600
  334   2HA   GLY  40           HA2      GLY  40  -2.397   9.688   6.750
  335    H    PHE  41           H        PHE  41  -2.654   7.556   4.444
  336    HA   PHE  41           HA       PHE  41  -2.325   9.546   2.314
  337   1HB   PHE  41           HB2      PHE  41  -1.514   6.646   2.052
  338   2HB   PHE  41           HB3      PHE  41  -1.363   7.894   0.819
  339    HD1  PHE  41           HD1      PHE  41   0.188   6.256   3.551
  340    HD2  PHE  41           HD2      PHE  41   0.137   9.895   1.358
  341    HE1  PHE  41           HE1      PHE  41   2.414   6.817   4.443
  342    HE2  PHE  41           HE2      PHE  41   2.365  10.465   2.237
  343    HZ   PHE  41           HZ       PHE  41   3.505   8.925   3.784
  344    H    VAL  42           H        VAL  42  -4.287   7.618   3.989
  345    HA   VAL  42           HA       VAL  42  -5.881   6.226   2.208
  346    HB   VAL  42           HB       VAL  42  -6.898   7.715   4.628
  347   1HG1  VAL  42          1HG1      VAL  42  -8.586   6.705   3.116
  348   2HG1  VAL  42          3HG1      VAL  42  -7.835   5.133   3.399
  349   3HG1  VAL  42          2HG1      VAL  42  -8.577   6.011   4.737
  350   1HG2  VAL  42          1HG2      VAL  42  -4.788   6.316   4.954
  351   2HG2  VAL  42          3HG2      VAL  42  -6.160   5.982   6.008
  352   3HG2  VAL  42          2HG2      VAL  42  -5.818   4.920   4.643
  353    H    GLY  43           H        GLY  43  -6.758   6.976   0.398
  354   1HA   GLY  43           HA3      GLY  43  -8.235   9.527   0.520
  355   2HA   GLY  43           HA2      GLY  43  -8.614   8.196  -0.564
  356    H    LYS  44           H        LYS  44  -5.362   9.330   0.047
  357    HA   LYS  44           HA       LYS  44  -5.165  11.077  -2.169
  358   1HB   LYS  44           HB2      LYS  44  -3.058   9.626  -0.565
  359   2HB   LYS  44           HB3      LYS  44  -2.707  10.855  -1.766
  360   1HG   LYS  44           HG2      LYS  44  -4.061  12.460  -0.442
  361   2HG   LYS  44           HG3      LYS  44  -4.229  11.217   0.800
  362   1HD   LYS  44           HD2      LYS  44  -1.805  11.142   1.066
  363   2HD   LYS  44           HD3      LYS  44  -1.622  12.365  -0.194
  364   1HE   LYS  44           HE2      LYS  44  -3.051  12.731   2.434
  365   2HE   LYS  44           HE3      LYS  44  -1.447  13.346   2.037
  366   1HZ   LYS  44           HZ1      LYS  44  -3.975  14.109   0.678
  367   2HZ   LYS  44           HZ3      LYS  44  -3.131  15.057   1.797
  368   3HZ   LYS  44           HZ2      LYS  44  -2.436  14.700   0.298
  369    H    ASP  45           H        ASP  45  -3.355  10.635  -3.851
  370    HA   ASP  45           HA       ASP  45  -4.162   8.323  -5.353
  371   1HB   ASP  45           HB2      ASP  45  -2.328  10.650  -5.856
  372   2HB   ASP  45           HB3      ASP  45  -2.379   9.284  -6.958
  373    H    VAL  46           H        VAL  46  -0.968   9.574  -4.419
  374    HA   VAL  46           HA       VAL  46   0.081   6.835  -4.463
  375    HB   VAL  46           HB       VAL  46   1.258   8.590  -5.782
  376   1HG1  VAL  46          2HG1      VAL  46   0.891  10.480  -4.301
  377   2HG1  VAL  46          1HG1      VAL  46   1.904   9.728  -3.067
  378   3HG1  VAL  46          3HG1      VAL  46   2.616  10.248  -4.596
  379   1HG2  VAL  46          2HG2      VAL  46   2.437   6.592  -5.049
  380   2HG2  VAL  46          1HG2      VAL  46   3.513   7.989  -5.029
  381   3HG2  VAL  46          3HG2      VAL  46   2.839   7.373  -3.520
  382    H    LEU  47           H        LEU  47   1.046   5.901  -2.726
  383    HA   LEU  47           HA       LEU  47   0.459   7.116  -0.137
  384   1HB   LEU  47           HB2      LEU  47   1.513   4.350  -0.549
  385   2HB   LEU  47           HB3      LEU  47   0.560   4.970   0.780
  386    HG   LEU  47           HG       LEU  47  -0.463   4.507  -2.024
  387   1HD1  LEU  47          2HD1      LEU  47  -0.879   2.929   0.512
  388   2HD1  LEU  47          1HD1      LEU  47  -1.733   2.661  -1.009
  389   3HD1  LEU  47          3HD1      LEU  47   0.010   2.407  -0.920
  390   1HD2  LEU  47          3HD2      LEU  47  -1.891   5.331   0.499
  391   2HD2  LEU  47          2HD2      LEU  47  -1.639   6.321  -0.938
  392   3HD2  LEU  47          1HD2      LEU  47  -2.673   4.894  -1.020
  393    H    SER  48           H        SER  48   3.103   5.442  -1.789
  394    HA   SER  48           HA       SER  48   5.137   5.772   0.023
  395   1HB   SER  48           HB2      SER  48   6.635   5.419  -1.815
  396   2HB   SER  48           HB3      SER  48   5.187   4.472  -2.126
  397    HG   SER  48           HG       SER  48   4.734   6.800  -3.202
  398    H    ASP  49           H        ASP  49   7.170   7.179  -0.503
  399    HA   ASP  49           HA       ASP  49   6.585   9.855  -1.422
  400   1HB   ASP  49           HB2      ASP  49   7.129   9.269   1.485
  401   2HB   ASP  49           HB3      ASP  49   7.429  10.852   0.771
  402    H    GLU  50           H        GLU  50   8.995   8.971   0.975
  403    HA   GLU  50           HA       GLU  50  11.083   9.072  -1.089
  404   1HB   GLU  50           HB2      GLU  50  12.448  10.469   0.347
  405   2HB   GLU  50           HB3      GLU  50  10.891  11.243   0.069
  406   1HG   GLU  50           HG2      GLU  50  10.111  10.522   2.248
  407   2HG   GLU  50           HG3      GLU  50  11.642   9.696   2.538
  408    H    ILE  51           H        ILE  51  10.004   7.946   2.035
  409    HA   ILE  51           HA       ILE  51  12.361   6.529   2.752
  410    HB   ILE  51           HB       ILE  51   9.567   5.888   3.673
  411   1HG1  ILE  51          2HG1      ILE  51  10.020   8.334   3.810
  412   2HG1  ILE  51          3HG1      ILE  51   9.790   7.575   5.378
  413   1HG2  ILE  51          2HG2      ILE  51  12.267   5.599   4.979
  414   2HG2  ILE  51          1HG2      ILE  51  10.722   5.240   5.749
  415   3HG2  ILE  51          3HG2      ILE  51  11.254   4.298   4.356
  416   1HD1  ILE  51          1HD1      ILE  51  12.454   8.260   4.160
  417   2HD1  ILE  51          3HD1      ILE  51  11.611   9.211   5.382
  418   3HD1  ILE  51          2HD1      ILE  51  12.179   7.587   5.766
  419    H    LEU  52           H        LEU  52   9.179   5.111   2.071
  420    HA   LEU  52           HA       LEU  52  10.558   2.872   0.735
  421   1HB   LEU  52           HB2      LEU  52   7.908   2.968   2.173
  422   2HB   LEU  52           HB3      LEU  52   8.448   1.596   1.231
  423    HG   LEU  52           HG       LEU  52   9.834   2.662   3.689
  424   1HD1  LEU  52          1HD1      LEU  52   7.647   1.638   4.166
  425   2HD1  LEU  52          3HD1      LEU  52   8.173   0.173   3.333
  426   3HD1  LEU  52          2HD1      LEU  52   8.989   0.691   4.808
  427   1HD2  LEU  52          1HD2      LEU  52  10.346   0.194   2.039
  428   2HD2  LEU  52          3HD2      LEU  52  11.384   1.616   2.136
  429   3HD2  LEU  52          2HD2      LEU  52  11.145   0.600   3.558
  430    H    GLU  53           H        GLU  53  10.327   2.777  -1.415
  431    HA   GLU  53           HA       GLU  53   8.446   4.358  -2.840
  432   1HB   GLU  53           HB2      GLU  53  10.625   2.517  -3.472
  433   2HB   GLU  53           HB3      GLU  53   9.285   2.393  -4.604
  434   1HG   GLU  53           HG2      GLU  53  10.091   5.126  -3.967
  435   2HG   GLU  53           HG3      GLU  53  11.323   4.165  -4.782
  436    H    VAL  54           H        VAL  54   6.644   3.487  -1.460
  437    HA   VAL  54           HA       VAL  54   5.698   0.842  -1.943
  438    HB   VAL  54           HB       VAL  54   4.059   3.095  -0.823
  439   1HG1  VAL  54          1HG1      VAL  54   2.910   1.002  -1.355
  440   2HG1  VAL  54          3HG1      VAL  54   4.045   0.122  -0.332
  441   3HG1  VAL  54          2HG1      VAL  54   2.946   1.300   0.383
  442   1HG2  VAL  54          2HG2      VAL  54   6.310   1.580   0.419
  443   2HG2  VAL  54          1HG2      VAL  54   5.902   3.289   0.548
  444   3HG2  VAL  54          3HG2      VAL  54   4.944   2.086   1.413
  445    H    VAL  55           H        VAL  55   5.518   0.747  -4.223
  446    HA   VAL  55           HA       VAL  55   3.586   2.447  -5.541
  447    HB   VAL  55           HB       VAL  55   4.882  -0.041  -6.635
  448   1HG1  VAL  55          3HG1      VAL  55   2.862   0.918  -7.777
  449   2HG1  VAL  55          2HG1      VAL  55   3.818   2.365  -8.097
  450   3HG1  VAL  55          1HG1      VAL  55   4.311   0.815  -8.781
  451   1HG2  VAL  55          3HG2      VAL  55   5.872   2.807  -6.776
  452   2HG2  VAL  55          2HG2      VAL  55   6.629   1.483  -5.891
  453   3HG2  VAL  55          1HG2      VAL  55   6.562   1.441  -7.652
  454    H    CYS  56           H        CYS  56   1.724   2.001  -4.429
  455    HA   CYS  56           HA       CYS  56   0.710  -0.748  -4.528
  456   1HB   CYS  56           HB2      CYS  56   0.749   0.101  -2.289
  457   2HB   CYS  56           HB3      CYS  56  -0.049   1.591  -2.780
  458    HG   CYS  56           HG       CYS  56  -2.507   0.426  -3.282
  459    H    LYS  57           H        LYS  57  -1.185  -1.258  -5.449
  460    HA   LYS  57           HA       LYS  57  -2.734   0.882  -6.727
  461   1HB   LYS  57           HB2      LYS  57  -2.278  -1.791  -8.027
  462   2HB   LYS  57           HB3      LYS  57  -2.928  -0.330  -8.750
  463   1HG   LYS  57           HG2      LYS  57  -0.731   0.736  -8.568
  464   2HG   LYS  57           HG3      LYS  57  -0.080  -0.751  -7.870
  465   1HD   LYS  57           HD2      LYS  57  -0.640  -1.961  -9.922
  466   2HD   LYS  57           HD3      LYS  57  -1.299  -0.480 -10.618
  467   1HE   LYS  57           HE2      LYS  57   0.901   0.574 -10.466
  468   2HE   LYS  57           HE3      LYS  57   1.562  -0.902  -9.763
  469   1HZ   LYS  57           HZ1      LYS  57   0.389  -0.657 -12.481
  470   2HZ   LYS  57           HZ3      LYS  57   2.040  -0.759 -12.123
  471   3HZ   LYS  57           HZ2      LYS  57   1.024  -2.073 -11.807
  472    H    TYR  58           H        TYR  58  -4.688   0.854  -5.896
  473    HA   TYR  58           HA       TYR  58  -5.735  -1.516  -4.613
  474   1HB   TYR  58           HB2      TYR  58  -6.002   0.841  -3.694
  475   2HB   TYR  58           HB3      TYR  58  -7.144   1.132  -5.004
  476    HD1  TYR  58           HD1      TYR  58  -8.733  -1.301  -5.088
  477    HD2  TYR  58           HD2      TYR  58  -7.177   0.798  -1.711
  478    HE1  TYR  58           HE1      TYR  58 -10.540  -2.219  -3.710
  479    HE2  TYR  58           HE2      TYR  58  -9.006  -0.107  -0.332
  480    HH   TYR  58           HH       TYR  58 -11.269  -1.015  -0.618
  481    H    THR  59           H        THR  59  -6.699  -3.035  -5.776
  482    HA   THR  59           HA       THR  59  -8.196  -2.239  -8.187
  483    HB   THR  59           HB       THR  59  -7.092  -4.989  -7.605
  484    HG1  THR  59           HG1      THR  59  -5.261  -4.398  -8.582
  485   1HG2  THR  59          2HG2      THR  59  -8.942  -4.866  -9.225
  486   2HG2  THR  59          1HG2      THR  59  -8.024  -3.695 -10.172
  487   3HG2  THR  59          3HG2      THR  59  -7.429  -5.347  -9.993
  488    HA   PRO  60           HA       PRO  60 -11.608  -4.018  -5.837
  489   1HB   PRO  60           HB2      PRO  60 -13.444  -2.257  -6.602
  490   2HB   PRO  60           HB3      PRO  60 -12.144  -1.773  -5.509
  491   1HG   PRO  60           HG2      PRO  60 -12.534  -1.148  -8.379
  492   2HG   PRO  60           HG3      PRO  60 -11.679  -0.225  -7.133
  493   1HD   PRO  60           HD2      PRO  60 -10.579  -2.020  -9.079
  494   2HD   PRO  60           HD3      PRO  60  -9.722  -1.091  -7.833
  495    H    THR  61           H        THR  61 -10.733  -5.197  -8.332
  496    HA   THR  61           HA       THR  61 -12.398  -5.303 -10.456
  497    HB   THR  61           HB       THR  61 -11.673  -7.986  -9.461
  498    HG1  THR  61           HG1      THR  61  -9.456  -6.626 -10.339
  499   1HG2  THR  61          2HG2      THR  61 -11.107  -6.444 -11.994
  500   2HG2  THR  61          1HG2      THR  61 -10.656  -8.127 -11.716
  501   3HG2  THR  61          3HG2      THR  61 -12.358  -7.665 -11.760
  502    HA   PRO  62           HA       PRO  62 -16.436  -6.501  -9.070
  503   1HB   PRO  62           HB2      PRO  62 -16.736  -7.817 -11.698
  504   2HB   PRO  62           HB3      PRO  62 -17.682  -6.509 -10.981
  505   1HG   PRO  62           HG2      PRO  62 -15.977  -6.057 -12.996
  506   2HG   PRO  62           HG3      PRO  62 -16.210  -4.876 -11.693
  507   1HD   PRO  62           HD2      PRO  62 -13.973  -6.822 -12.112
  508   2HD   PRO  62           HD3      PRO  62 -13.915  -5.140 -11.546
  509    H    SER  63           H        SER  63 -17.915  -8.557  -9.354
  510    HA   SER  63           HA       SER  63 -16.548 -10.702  -8.080
  511   1HB   SER  63           HB2      SER  63 -19.354 -10.600  -9.216
  512   2HB   SER  63           HB3      SER  63 -18.733 -11.840  -8.126
  513    HG   SER  63           HG       SER  63 -19.926 -10.137  -7.075
  514    H    SER  64           H        SER  64 -17.562 -13.012  -9.079
  515    HA   SER  64           HA       SER  64 -15.871 -13.472 -11.336
  516   1HB   SER  64           HB2      SER  64 -16.166 -15.188  -9.615
  517   2HB   SER  64           HB3      SER  64 -17.884 -15.293  -9.995
  518    HG   SER  64           HG       SER  64 -17.419 -16.229 -11.911
  519    H    THR  65           H        THR  65 -19.343 -14.209 -10.956
  520    HA   THR  65           HA       THR  65 -19.675 -13.923 -13.832
  521    HB   THR  65           HB       THR  65 -21.669 -14.881 -11.778
  522    HG1  THR  65           HG1      THR  65 -19.922 -16.322 -12.002
  523   1HG2  THR  65          2HG2      THR  65 -21.724 -15.002 -14.796
  524   2HG2  THR  65          1HG2      THR  65 -22.904 -15.746 -13.717
  525   3HG2  THR  65          3HG2      THR  65 -22.751 -13.990 -13.779
  526    HA   PRO  66           HA       PRO  66 -22.902 -10.720 -12.175
  527   1HB   PRO  66           HB2      PRO  66 -22.043 -10.121  -9.440
  528   2HB   PRO  66           HB3      PRO  66 -23.640 -10.581 -10.032
  529   1HG   PRO  66           HG2      PRO  66 -22.141 -12.241  -8.527
  530   2HG   PRO  66           HG3      PRO  66 -23.222 -12.837  -9.801
  531   1HD   PRO  66           HD2      PRO  66 -20.251 -12.423  -9.881
  532   2HD   PRO  66           HD3      PRO  66 -21.205 -13.793 -10.489
  533    H    MET  67           H        MET  67 -22.662  -8.341 -11.143
  534    HA   MET  67           HA       MET  67 -19.927  -7.371 -11.579
  535   1HB   MET  67           HB2      MET  67 -22.375  -6.192 -12.915
  536   2HB   MET  67           HB3      MET  67 -20.742  -5.547 -13.008
  537   1HG   MET  67           HG2      MET  67 -20.995  -6.669 -15.012
  538   2HG   MET  67           HG3      MET  67 -20.115  -7.822 -14.010
  539   1HE   MET  67           HE1      MET  67 -20.757  -9.762 -15.719
  540   2HE   MET  67           HE3      MET  67 -22.411 -10.118 -16.215
  541   3HE   MET  67           HE2      MET  67 -21.649  -8.606 -16.708
  542    H    VAL  68           H        VAL  68 -22.084  -7.717  -9.411
  543    HA   VAL  68           HA       VAL  68 -22.290  -4.945  -8.492
  544    HB   VAL  68           HB       VAL  68 -24.321  -6.441  -8.581
  545   1HG1  VAL  68          2HG1      VAL  68 -23.263  -8.495  -7.795
  546   2HG1  VAL  68          1HG1      VAL  68 -22.991  -7.758  -6.217
  547   3HG1  VAL  68          3HG1      VAL  68 -24.635  -8.053  -6.780
  548   1HG2  VAL  68          2HG2      VAL  68 -23.557  -5.269  -5.906
  549   2HG2  VAL  68          1HG2      VAL  68 -24.293  -4.403  -7.256
  550   3HG2  VAL  68          3HG2      VAL  68 -25.197  -5.666  -6.420
  551    H    GLY  69           H        GLY  69 -21.634  -4.340  -6.399
  552   1HA   GLY  69           HA3      GLY  69 -19.981  -6.262  -4.919
  553   2HA   GLY  69           HA2      GLY  69 -20.623  -4.755  -4.283
  554    H    VAL  70           H        VAL  70 -18.664  -5.567  -7.147
  555    HA   VAL  70           HA       VAL  70 -16.606  -4.875  -7.827
  556    HB   VAL  70           HB       VAL  70 -17.603  -2.315  -6.578
  557   1HG1  VAL  70          3HG1      VAL  70 -15.321  -2.739  -8.508
  558   2HG1  VAL  70          2HG1      VAL  70 -15.969  -1.174  -8.024
  559   3HG1  VAL  70          1HG1      VAL  70 -15.187  -2.211  -6.832
  560   1HG2  VAL  70          2HG2      VAL  70 -19.049  -3.164  -8.333
  561   2HG2  VAL  70          1HG2      VAL  70 -18.205  -1.715  -8.878
  562   3HG2  VAL  70          3HG2      VAL  70 -17.671  -3.304  -9.424
  563    H    GLY  71           H        GLY  71 -15.423  -6.254  -6.423
  564   1HA   GLY  71           HA3      GLY  71 -14.737  -6.157  -3.874
  565   2HA   GLY  71           HA2      GLY  71 -13.828  -4.783  -4.480
  566    H    GLY  72           H        GLY  72 -11.766  -5.280  -4.741
  567   1HA   GLY  72           HA3      GLY  72 -10.236  -6.501  -6.267
  568   2HA   GLY  72           HA2      GLY  72 -11.094  -7.957  -5.800
  569    H    ILE  73           H        ILE  73  -8.354  -6.229  -5.310
  570    HA   ILE  73           HA       ILE  73  -8.038  -7.025  -2.515
  571    HB   ILE  73           HB       ILE  73  -5.765  -7.900  -3.017
  572   1HG1  ILE  73          2HG1      ILE  73  -6.599  -8.309  -5.852
  573   2HG1  ILE  73          3HG1      ILE  73  -5.836  -6.793  -5.377
  574   1HG2  ILE  73          3HG2      ILE  73  -7.716  -9.355  -2.605
  575   2HG2  ILE  73          2HG2      ILE  73  -7.933  -9.482  -4.352
  576   3HG2  ILE  73          1HG2      ILE  73  -6.459 -10.095  -3.597
  577   1HD1  ILE  73          2HD1      ILE  73  -3.928  -8.071  -4.485
  578   2HD1  ILE  73          1HD1      ILE  73  -4.684  -9.554  -5.071
  579   3HD1  ILE  73          3HD1      ILE  73  -4.173  -8.314  -6.217
  580    H    TYR  74           H        TYR  74  -5.371  -6.482  -2.233
  581    HA   TYR  74           HA       TYR  74  -5.079  -3.682  -3.067
  582   1HB   TYR  74           HB2      TYR  74  -4.191  -4.592  -0.348
  583   2HB   TYR  74           HB3      TYR  74  -4.600  -2.969  -0.898
  584    HD1  TYR  74           HD1      TYR  74  -5.974  -6.188   0.253
  585    HD2  TYR  74           HD2      TYR  74  -6.888  -2.195  -0.885
  586    HE1  TYR  74           HE1      TYR  74  -8.223  -6.445   1.190
  587    HE2  TYR  74           HE2      TYR  74  -9.146  -2.449   0.059
  588    HH   TYR  74           HH       TYR  74 -10.729  -4.248   0.589
  589    H    VAL  75           H        VAL  75  -3.441  -3.932  -4.521
  590    HA   VAL  75           HA       VAL  75  -1.215  -5.701  -3.960
  591    HB   VAL  75           HB       VAL  75  -1.808  -3.925  -6.331
  592   1HG1  VAL  75          1HG1      VAL  75   0.469  -5.858  -5.910
  593   2HG1  VAL  75          3HG1      VAL  75   0.067  -5.078  -7.440
  594   3HG1  VAL  75          2HG1      VAL  75   0.594  -4.106  -6.065
  595   1HG2  VAL  75          3HG2      VAL  75  -3.273  -5.873  -6.102
  596   2HG2  VAL  75          2HG2      VAL  75  -2.214  -6.018  -7.504
  597   3HG2  VAL  75          1HG2      VAL  75  -1.858  -6.924  -6.034
  598    H    VAL  76           H        VAL  76   0.385  -5.021  -2.727
  599    HA   VAL  76           HA       VAL  76   1.165  -2.180  -2.892
  600    HB   VAL  76           HB       VAL  76   1.544  -3.975  -0.499
  601   1HG1  VAL  76          1HG1      VAL  76   1.946  -1.030  -0.976
  602   2HG1  VAL  76          3HG1      VAL  76   1.887  -1.752   0.631
  603   3HG1  VAL  76          2HG1      VAL  76   3.151  -2.227  -0.503
  604   1HG2  VAL  76          2HG2      VAL  76  -0.841  -3.607  -0.925
  605   2HG2  VAL  76          1HG2      VAL  76  -0.307  -2.774   0.535
  606   3HG2  VAL  76          3HG2      VAL  76  -0.564  -1.866  -0.954
  607    H    LEU  77           H        LEU  77   3.084  -1.831  -3.780
  608    HA   LEU  77           HA       LEU  77   5.148  -3.922  -3.593
  609   1HB   LEU  77           HB2      LEU  77   4.765  -1.700  -5.597
  610   2HB   LEU  77           HB3      LEU  77   6.219  -2.679  -5.513
  611    HG   LEU  77           HG       LEU  77   3.424  -3.673  -6.125
  612   1HD1  LEU  77          1HD1      LEU  77   5.865  -3.394  -7.873
  613   2HD1  LEU  77          3HD1      LEU  77   4.331  -4.123  -8.352
  614   3HD1  LEU  77          2HD1      LEU  77   4.406  -2.406  -7.955
  615   1HD2  LEU  77          1HD2      LEU  77   5.088  -5.196  -4.841
  616   2HD2  LEU  77          3HD2      LEU  77   4.239  -5.830  -6.252
  617   3HD2  LEU  77          2HD2      LEU  77   5.915  -5.301  -6.397
  618    H    VAL  78           H        VAL  78   6.195  -3.425  -1.729
  619    HA   VAL  78           HA       VAL  78   6.921  -0.633  -1.246
  620    HB   VAL  78           HB       VAL  78   7.854  -2.567   0.734
  621   1HG1  VAL  78          3HG1      VAL  78   7.754  -0.104   1.040
  622   2HG1  VAL  78          2HG1      VAL  78   5.991  -0.192   0.953
  623   3HG1  VAL  78          1HG1      VAL  78   6.852  -0.988   2.273
  624   1HG2  VAL  78          3HG2      VAL  78   4.903  -2.361   0.154
  625   2HG2  VAL  78          2HG2      VAL  78   5.900  -3.814   0.079
  626   3HG2  VAL  78          1HG2      VAL  78   5.592  -3.035   1.631
  627    H    LYS  79           H        LYS  79   8.666  -0.017  -2.320
  628    HA   LYS  79           HA       LYS  79  10.982  -1.819  -2.454
  629   1HB   LYS  79           HB2      LYS  79   9.964   0.372  -4.202
  630   2HB   LYS  79           HB3      LYS  79  11.698   0.081  -4.156
  631   1HG   LYS  79           HG2      LYS  79  11.312  -2.257  -4.784
  632   2HG   LYS  79           HG3      LYS  79   9.569  -1.929  -4.888
  633   1HD   LYS  79           HD2      LYS  79  11.673  -0.482  -6.501
  634   2HD   LYS  79           HD3      LYS  79  10.767  -1.880  -7.084
  635   1HE   LYS  79           HE2      LYS  79   9.579   0.748  -6.198
  636   2HE   LYS  79           HE3      LYS  79   9.791   0.225  -7.868
  637   1HZ   LYS  79           HZ2      LYS  79   8.299  -1.634  -7.427
  638   2HZ   LYS  79           HZ1      LYS  79   8.079  -1.102  -5.837
  639   3HZ   LYS  79           HZ3      LYS  79   7.535  -0.155  -7.130
  640    HA   PRO  80           HA       PRO  80  12.512   0.768   0.960
  641   1HB   PRO  80           HB2      PRO  80  14.901  -0.862   0.226
  642   2HB   PRO  80           HB3      PRO  80  14.234  -0.497   1.819
  643   1HG   PRO  80           HG2      PRO  80  13.843  -2.878   0.699
  644   2HG   PRO  80           HG3      PRO  80  12.557  -2.086   1.628
  645   1HD   PRO  80           HD2      PRO  80  12.838  -2.417  -1.317
  646   2HD   PRO  80           HD3      PRO  80  11.374  -2.359  -0.317
  647    H    ARG  81           H        ARG  81  12.633   2.782  -0.023
  648    HA   ARG  81           HA       ARG  81  14.556   3.375  -2.055
  649   1HB   ARG  81           HB2      ARG  81  12.327   4.684  -0.819
  650   2HB   ARG  81           HB3      ARG  81  13.715   5.765  -0.809
  651   1HG   ARG  81           HG2      ARG  81  13.971   5.439  -3.221
  652   2HG   ARG  81           HG3      ARG  81  12.560   4.378  -3.212
  653   1HD   ARG  81           HD2      ARG  81  11.143   6.179  -2.506
  654   2HD   ARG  81           HD3      ARG  81  12.528   7.252  -2.309
  655    HE   ARG  81           HE       ARG  81  12.728   6.643  -4.888
  656   1HH1  ARG  81          1HH1      ARG  81   9.944   7.551  -3.001
  657   2HH1  ARG  81          2HH1      ARG  81   9.133   8.312  -4.328
  658   1HH2  ARG  81          1HH2      ARG  81  11.667   7.641  -6.640
  659   2HH2  ARG  81          2HH2      ARG  81  10.112   8.363  -6.397
  660    H    LYS  82           H        LYS  82  14.393   3.660   1.430
  661    HA   LYS  82           HA       LYS  82  17.152   4.696   1.436
  662   1HB   LYS  82           HB2      LYS  82  15.010   5.154   3.520
  663   2HB   LYS  82           HB3      LYS  82  16.654   5.773   3.579
  664   1HG   LYS  82           HG2      LYS  82  16.207   7.075   1.536
  665   2HG   LYS  82           HG3      LYS  82  14.538   6.502   1.567
  666   1HD   LYS  82           HD2      LYS  82  14.228   7.537   3.766
  667   2HD   LYS  82           HD3      LYS  82  15.893   8.119   3.723
  668   1HE   LYS  82           HE2      LYS  82  13.706   8.862   1.783
  669   2HE   LYS  82           HE3      LYS  82  14.317   9.876   3.091
  670   1HZ   LYS  82           HZ2      LYS  82  16.484   9.885   2.022
  671   2HZ   LYS  82           HZ1      LYS  82  15.897   8.916   0.768
  672   3HZ   LYS  82           HZ3      LYS  82  15.299  10.485   0.975
  673    H    ARG  83           H        ARG  83  18.447   4.054   3.319
  674    HA   ARG  83           HA       ARG  83  17.840   1.286   4.085
  675   1HB   ARG  83           HB2      ARG  83  20.472   2.767   4.178
  676   2HB   ARG  83           HB3      ARG  83  20.231   1.060   4.525
  677   1HG   ARG  83           HG2      ARG  83  19.635   0.617   2.248
  678   2HG   ARG  83           HG3      ARG  83  19.656   2.339   1.863
  679   1HD   ARG  83           HD2      ARG  83  22.045   2.424   2.347
  680   2HD   ARG  83           HD3      ARG  83  22.031   0.709   2.756
  681    HE   ARG  83           HE       ARG  83  21.029   1.112   0.140
  682   1HH1  ARG  83          1HH1      ARG  83  23.994   1.108   1.970
  683   2HH1  ARG  83          2HH1      ARG  83  24.981   0.678   0.613
  684   1HH2  ARG  83          1HH2      ARG  83  22.321   0.547  -1.652
  685   2HH2  ARG  83          2HH2      ARG  83  24.030   0.360  -1.445
  686    H    GLY  84           H        GLY  84  17.267   0.843   6.110
  687   1HA   GLY  84           HA3      GLY  84  17.503   2.950   8.126
  688   2HA   GLY  84           HA2      GLY  84  18.270   1.409   8.476
  689    H    HIS  85           H        HIS  85  16.381   2.333  10.185
  690    HA   HIS  85           HA       HIS  85  14.538   0.207  10.283
  691   1HB   HIS  85           HB2      HIS  85  14.594   2.839  11.769
  692   2HB   HIS  85           HB3      HIS  85  13.484   1.524  12.140
  693    HD1  HIS  85           HD1      HIS  85  14.323   0.743  14.355
  694    HD2  HIS  85           HD2      HIS  85  17.373   1.137  11.561
  695    HE1  HIS  85           HE1      HIS  85  16.377  -0.191  15.466
  696    HE2  HIS  85           HE2      HIS  85  18.190  -0.020  13.725
  697    H    HIS  86           H        HIS  86  13.125   0.007   8.632
  698    HA   HIS  86           HA       HIS  86  11.186   2.182   8.298
  699   1HB   HIS  86           HB2      HIS  86  12.421   0.643   6.004
  700   2HB   HIS  86           HB3      HIS  86  11.174   1.880   5.871
  701    HD1  HIS  86           HD1      HIS  86  12.262   4.139   7.504
  702    HD2  HIS  86           HD2      HIS  86  14.670   1.803   5.053
  703    HE1  HIS  86           HE1      HIS  86  14.289   5.545   7.016
  704    HE2  HIS  86           HE2      HIS  86  15.689   4.145   5.458
  705    H    THR  87           H        THR  87   9.152   1.469   7.292
  706    HA   THR  87           HA       THR  87   8.575  -1.326   7.114
  707    HB   THR  87           HB       THR  87   7.585   0.198   9.524
  708    HG1  THR  87           HG1      THR  87   9.090  -2.199   9.201
  709   1HG2  THR  87          1HG2      THR  87   5.731  -1.040   8.512
  710   2HG2  THR  87          3HG2      THR  87   6.705  -2.507   8.517
  711   3HG2  THR  87          2HG2      THR  87   6.225  -1.767  10.041
  712    H    LEU  88           H        LEU  88   6.582  -1.747   6.191
  713    HA   LEU  88           HA       LEU  88   5.331   0.498   4.885
  714   1HB   LEU  88           HB2      LEU  88   5.561  -1.582   3.667
  715   2HB   LEU  88           HB3      LEU  88   4.657  -2.438   4.898
  716    HG   LEU  88           HG       LEU  88   2.674  -0.995   4.316
  717   1HD1  LEU  88          2HD1      LEU  88   3.903   0.807   3.216
  718   2HD1  LEU  88          1HD1      LEU  88   4.385  -0.304   1.935
  719   3HD1  LEU  88          3HD1      LEU  88   2.684   0.109   2.151
  720   1HD2  LEU  88          2HD2      LEU  88   2.943  -3.320   3.556
  721   2HD2  LEU  88          1HD2      LEU  88   2.073  -2.323   2.390
  722   3HD2  LEU  88          3HD2      LEU  88   3.764  -2.734   2.112
  723    H    GLU  89           H        GLU  89   4.108   1.766   6.134
  724    HA   GLU  89           HA       GLU  89   2.493   0.667   8.258
  725   1HB   GLU  89           HB2      GLU  89   2.791   3.489   7.223
  726   2HB   GLU  89           HB3      GLU  89   1.843   3.037   8.635
  727   1HG   GLU  89           HG2      GLU  89   3.885   2.145   9.676
  728   2HG   GLU  89           HG3      GLU  89   4.814   2.713   8.292
  729    H    LEU  90           H        LEU  90   0.849  -0.530   7.415
  730    HA   LEU  90           HA       LEU  90  -0.955   0.795   5.513
  731   1HB   LEU  90           HB2      LEU  90  -0.605  -2.105   6.254
  732   2HB   LEU  90           HB3      LEU  90  -1.972  -1.529   5.322
  733    HG   LEU  90           HG       LEU  90   0.935  -1.501   4.515
  734   1HD1  LEU  90          3HD1      LEU  90  -0.257  -3.630   4.264
  735   2HD1  LEU  90          2HD1      LEU  90  -1.484  -2.820   3.294
  736   3HD1  LEU  90          1HD1      LEU  90   0.174  -2.927   2.706
  737   1HD2  LEU  90          1HD2      LEU  90  -1.431  -0.267   3.109
  738   2HD2  LEU  90          3HD2      LEU  90  -0.048   0.589   3.791
  739   3HD2  LEU  90          2HD2      LEU  90   0.173  -0.481   2.407
  740    H    VAL  91           H        VAL  91  -3.358   0.168   5.907
  741    HA   VAL  91           HA       VAL  91  -4.113  -0.306   8.627
  742    HB   VAL  91           HB       VAL  91  -3.335   2.005   8.847
  743   1HG1  VAL  91          3HG1      VAL  91  -5.385   2.621   6.723
  744   2HG1  VAL  91          2HG1      VAL  91  -4.517   3.826   7.676
  745   3HG1  VAL  91          1HG1      VAL  91  -3.633   2.768   6.576
  746   1HG2  VAL  91          3HG2      VAL  91  -6.320   1.648   9.033
  747   2HG2  VAL  91          2HG2      VAL  91  -5.122   1.391  10.300
  748   3HG2  VAL  91          1HG2      VAL  91  -5.447   3.018   9.715
  749    H    TYR  92           H        TYR  92  -6.341  -0.529   8.918
  750    HA   TYR  92           HA       TYR  92  -7.906  -0.733   6.444
  751   1HB   TYR  92           HB2      TYR  92  -7.574  -2.667   8.181
  752   2HB   TYR  92           HB3      TYR  92  -8.788  -1.799   9.111
  753    HD1  TYR  92           HD1      TYR  92 -10.731  -3.054   9.022
  754    HD2  TYR  92           HD2      TYR  92  -8.523  -2.430   5.440
  755    HE1  TYR  92           HE1      TYR  92 -12.506  -4.173   7.739
  756    HE2  TYR  92           HE2      TYR  92 -10.291  -3.545   4.147
  757    HH   TYR  92           HH       TYR  92 -12.101  -5.170   4.525
  758    H    THR  93           H        THR  93  -8.550   1.404   6.180
  759    HA   THR  93           HA       THR  93 -10.271   2.510   8.311
  760    HB   THR  93           HB       THR  93  -8.323   3.843   8.336
  761    HG1  THR  93           HG1      THR  93 -10.564   4.876   7.863
  762   1HG2  THR  93          3HG2      THR  93  -8.457   3.512   5.380
  763   2HG2  THR  93          2HG2      THR  93  -7.722   4.979   6.032
  764   3HG2  THR  93          1HG2      THR  93  -7.071   3.396   6.466
  765    H    ARG  94           H        ARG  94 -11.804   4.161   7.566
  766    HA   ARG  94           HA       ARG  94 -12.931   3.437   4.956
  767   1HB   ARG  94           HB2      ARG  94 -14.215   4.967   7.229
  768   2HB   ARG  94           HB3      ARG  94 -15.016   4.402   5.770
  769   1HG   ARG  94           HG2      ARG  94 -14.506   2.072   6.459
  770   2HG   ARG  94           HG3      ARG  94 -13.863   2.709   7.973
  771   1HD   ARG  94           HD2      ARG  94 -16.166   1.949   8.240
  772   2HD   ARG  94           HD3      ARG  94 -16.031   3.687   8.498
  773    HE   ARG  94           HE       ARG  94 -16.686   3.395   5.849
  774   1HH1  ARG  94          1HH1      ARG  94 -18.099   2.461   8.894
  775   2HH1  ARG  94          2HH1      ARG  94 -19.727   2.534   8.307
  776   1HH2  ARG  94          1HH2      ARG  94 -18.825   3.494   5.069
  777   2HH2  ARG  94          2HH2      ARG  94 -20.140   3.120   6.133
  778    HA   PRO  95           HA       PRO  95 -10.671   7.272   3.715
  779   1HB   PRO  95           HB2      PRO  95 -12.301   6.401   1.349
  780   2HB   PRO  95           HB3      PRO  95 -10.667   7.071   1.394
  781   1HG   PRO  95           HG2      PRO  95 -11.044   4.443   1.131
  782   2HG   PRO  95           HG3      PRO  95  -9.730   5.079   2.137
  783   1HD   PRO  95           HD2      PRO  95 -12.265   3.781   2.946
  784   2HD   PRO  95           HD3      PRO  95 -10.714   3.872   3.799
  785    H    PHE  96           H        PHE  96 -14.080   6.459   3.242
  786    HA   PHE  96           HA       PHE  96 -14.988   9.036   2.614
  787   1HB   PHE  96           HB2      PHE  96 -16.817   7.219   4.075
  788   2HB   PHE  96           HB3      PHE  96 -17.049   8.086   2.567
  789    HD1  PHE  96           HD1      PHE  96 -15.211   7.195   0.697
  790    HD2  PHE  96           HD2      PHE  96 -17.000   4.953   3.843
  791    HE1  PHE  96           HE1      PHE  96 -14.823   5.120  -0.566
  792    HE2  PHE  96           HE2      PHE  96 -16.615   2.875   2.583
  793    HZ   PHE  96           HZ       PHE  96 -15.527   2.957   0.377
  794    H    GLU  97           H        GLU  97 -14.823   7.296   5.714
  795    HA   GLU  97           HA       GLU  97 -15.685   9.708   7.119
  796   1HB   GLU  97           HB2      GLU  97 -15.147   6.920   8.160
  797   2HB   GLU  97           HB3      GLU  97 -15.765   8.258   9.119
  798   1HG   GLU  97           HG2      GLU  97 -17.736   8.351   7.614
  799   2HG   GLU  97           HG3      GLU  97 -17.127   6.908   6.801
  800    H    GLY  98           H        GLY  98 -13.435   7.360   8.436
  801   1HA   GLY  98           HA3      GLY  98 -11.792   9.081   9.769
  802   2HA   GLY  98           HA2      GLY  98 -11.110   9.030   8.148
  803    H    ILE  99           H        ILE  99  -9.406   8.228   9.878
  804    HA   ILE  99           HA       ILE  99  -9.278   5.368   9.435
  805    HB   ILE  99           HB       ILE  99  -7.107   7.127  10.508
  806   1HG1  ILE  99          2HG1      ILE  99  -7.575   6.325   7.630
  807   2HG1  ILE  99          3HG1      ILE  99  -8.041   7.893   8.285
  808   1HG2  ILE  99          1HG2      ILE  99  -7.387   4.307   9.843
  809   2HG2  ILE  99          3HG2      ILE  99  -6.012   5.071   9.041
  810   3HG2  ILE  99          2HG2      ILE  99  -6.150   5.129  10.798
  811   1HD1  ILE  99          2HD1      ILE  99  -5.693   8.354   8.808
  812   2HD1  ILE  99          1HD1      ILE  99  -5.237   6.788   8.140
  813   3HD1  ILE  99          3HD1      ILE  99  -5.929   8.026   7.091
  814    H    LYS 100           H        LYS 100  -8.457   7.494  12.117
  815    HA   LYS 100           HA       LYS 100  -8.682   7.244  14.381
  816   1HB   LYS 100           HB2      LYS 100 -10.438   4.882  13.717
  817   2HB   LYS 100           HB3      LYS 100 -10.360   5.729  15.243
  818   1HG   LYS 100           HG2      LYS 100 -11.354   7.680  14.311
  819   2HG   LYS 100           HG3      LYS 100 -11.196   7.042  12.674
  820   1HD   LYS 100           HD2      LYS 100 -12.783   5.524  14.699
  821   2HD   LYS 100           HD3      LYS 100 -13.496   6.935  13.914
  822   1HE   LYS 100           HE2      LYS 100 -13.182   5.957  11.741
  823   2HE   LYS 100           HE3      LYS 100 -12.281   4.606  12.434
  824   1HZ   LYS 100           HZ1      LYS 100 -14.288   3.920  13.599
  825   2HZ   LYS 100           HZ3      LYS 100 -15.149   5.209  12.919
  826   3HZ   LYS 100           HZ2      LYS 100 -14.550   3.975  11.930
  827    HA   PRO 101           HA       PRO 101  -5.658   4.261  15.531
  828   1HB   PRO 101           HB2      PRO 101  -6.046   4.078  18.183
  829   2HB   PRO 101           HB3      PRO 101  -5.460   5.564  17.432
  830   1HG   PRO 101           HG2      PRO 101  -8.233   4.852  18.313
  831   2HG   PRO 101           HG3      PRO 101  -7.336   6.358  18.556
  832   1HD   PRO 101           HD2      PRO 101  -9.201   6.017  16.594
  833   2HD   PRO 101           HD3      PRO 101  -7.821   7.128  16.451
  834    H    GLU 102           H        GLU 102  -8.937   3.629  16.670
  835    HA   GLU 102           HA       GLU 102  -8.646   1.007  17.519
  836   1HB   GLU 102           HB2      GLU 102 -11.092   0.790  16.991
  837   2HB   GLU 102           HB3      GLU 102 -10.660   2.150  18.021
  838   1HG   GLU 102           HG2      GLU 102 -10.743   3.632  16.095
  839   2HG   GLU 102           HG3      GLU 102 -11.184   2.271  15.068
  840    H    ASN 103           H        ASN 103  -9.090   2.282  14.273
  841    HA   ASN 103           HA       ASN 103  -9.741  -0.054  12.918
  842   1HB   ASN 103           HB2      ASN 103  -8.228   2.404  12.086
  843   2HB   ASN 103           HB3      ASN 103  -8.473   1.068  10.967
  844   1HD2  ASN 103          1HD2      ASN 103 -10.864   1.737  13.370
  845   2HD2  ASN 103          2HD2      ASN 103 -12.043   2.414  12.307
  846    H    GLU 104           H        GLU 104  -8.523  -1.559  11.716
  847    HA   GLU 104           HA       GLU 104  -6.299  -2.623  13.051
  848   1HB   GLU 104           HB2      GLU 104  -8.119  -3.511  11.189
  849   2HB   GLU 104           HB3      GLU 104  -6.619  -3.466  10.270
  850   1HG   GLU 104           HG2      GLU 104  -5.549  -4.816  12.004
  851   2HG   GLU 104           HG3      GLU 104  -7.081  -4.920  12.858
  852    H    ARG 105           H        ARG 105  -4.348  -3.350  11.577
  853    HA   ARG 105           HA       ARG 105  -3.350  -1.342   9.775
  854   1HB   ARG 105           HB2      ARG 105  -2.486  -0.043  11.413
  855   2HB   ARG 105           HB3      ARG 105  -2.670  -1.298  12.629
  856   1HG   ARG 105           HG2      ARG 105  -0.429  -1.290  12.664
  857   2HG   ARG 105           HG3      ARG 105  -0.570  -2.255  11.191
  858   1HD   ARG 105           HD2      ARG 105   0.092  -0.552   9.853
  859   2HD   ARG 105           HD3      ARG 105  -0.696   0.674  10.845
  860    HE   ARG 105           HE       ARG 105   1.700  -0.569  11.940
  861   1HH1  ARG 105          1HH1      ARG 105   0.247   2.154  10.323
  862   2HH1  ARG 105          2HH1      ARG 105   1.548   3.234  10.697
  863   1HH2  ARG 105          1HH2      ARG 105   3.415   0.845  12.439
  864   2HH2  ARG 105          2HH2      ARG 105   3.349   2.490  11.901
  865    H    TYR 106           H        TYR 106  -1.136  -1.935   8.982
  866    HA   TYR 106           HA       TYR 106  -0.279  -4.653   9.553
  867   1HB   TYR 106           HB2      TYR 106  -1.772  -5.138   7.772
  868   2HB   TYR 106           HB3      TYR 106  -1.199  -3.774   6.815
  869    HD1  TYR 106           HD1      TYR 106  -0.751  -7.231   7.702
  870    HD2  TYR 106           HD2      TYR 106   1.089  -3.922   5.767
  871    HE1  TYR 106           HE1      TYR 106   0.796  -8.759   6.576
  872    HE2  TYR 106           HE2      TYR 106   2.649  -5.446   4.634
  873    HH   TYR 106           HH       TYR 106   3.581  -7.702   4.952
  874    H    THR 107           H        THR 107   1.776  -4.463  10.001
  875    HA   THR 107           HA       THR 107   3.360  -2.369   8.711
  876    HB   THR 107           HB       THR 107   4.930  -3.377  10.687
  877    HG1  THR 107           HG1      THR 107   3.465  -4.734  11.601
  878   1HG2  THR 107          1HG2      THR 107   4.397  -1.005  10.305
  879   2HG2  THR 107          3HG2      THR 107   2.802  -1.259  11.008
  880   3HG2  THR 107          2HG2      THR 107   4.243  -1.432  12.009
  881    H    LEU 108           H        LEU 108   4.923  -2.874   7.281
  882    HA   LEU 108           HA       LEU 108   5.657  -5.700   6.995
  883   1HB   LEU 108           HB2      LEU 108   4.892  -4.540   4.970
  884   2HB   LEU 108           HB3      LEU 108   6.194  -3.381   5.144
  885    HG   LEU 108           HG       LEU 108   7.849  -5.089   4.715
  886   1HD1  LEU 108          3HD1      LEU 108   5.522  -6.998   4.557
  887   2HD1  LEU 108          2HD1      LEU 108   7.188  -7.382   4.125
  888   3HD1  LEU 108          1HD1      LEU 108   6.780  -6.979   5.794
  889   1HD2  LEU 108          3HD2      LEU 108   6.855  -3.970   2.793
  890   2HD2  LEU 108          2HD2      LEU 108   7.294  -5.635   2.408
  891   3HD2  LEU 108          1HD2      LEU 108   5.607  -5.214   2.708
  892    H    HIS 109           H        HIS 109   7.261  -6.275   8.177
  893    HA   HIS 109           HA       HIS 109   9.169  -4.835   9.497
  894   1HB   HIS 109           HB2      HIS 109  10.462  -7.102   9.331
  895   2HB   HIS 109           HB3      HIS 109   8.918  -7.051  10.162
  896    HD1  HIS 109           HD1      HIS 109  10.632  -8.463   7.192
  897    HD2  HIS 109           HD2      HIS 109   6.796  -8.335   8.782
  898    HE1  HIS 109           HE1      HIS 109   9.322 -10.197   5.927
  899    HE2  HIS 109           HE2      HIS 109   7.027 -10.162   6.967
  900    H    LEU 110           H        LEU 110   9.827  -3.196   7.720
  901    HA   LEU 110           HA       LEU 110  11.907  -4.358   5.987
  902   1HB   LEU 110           HB2      LEU 110  10.328  -1.815   5.645
  903   2HB   LEU 110           HB3      LEU 110  11.629  -2.329   4.592
  904    HG   LEU 110           HG       LEU 110   9.067  -3.866   5.019
  905   1HD1  LEU 110          2HD1      LEU 110   9.912  -2.067   2.754
  906   2HD1  LEU 110          1HD1      LEU 110   8.488  -3.106   2.753
  907   3HD1  LEU 110          3HD1      LEU 110   8.605  -1.772   3.900
  908   1HD2  LEU 110          3HD2      LEU 110  10.952  -5.279   4.401
  909   2HD2  LEU 110          2HD2      LEU 110   9.800  -5.149   3.071
  910   3HD2  LEU 110          1HD2      LEU 110  11.304  -4.227   3.030
  911    H    ASN 111           H        ASN 111  13.107  -4.138   8.205
  912    HA   ASN 111           HA       ASN 111  14.104  -1.498   8.787
  913   1HB   ASN 111           HB2      ASN 111  13.876  -3.156  10.585
  914   2HB   ASN 111           HB3      ASN 111  15.024  -4.212   9.771
  915   1HD2  ASN 111          1HD2      ASN 111  16.370  -4.205  11.575
  916   2HD2  ASN 111          2HD2      ASN 111  17.358  -2.844  11.967
  917    H    VAL 112           H        VAL 112  14.487  -1.776   6.236
  918    HA   VAL 112           HA       VAL 112  16.381  -2.939   4.858
  919    HB   VAL 112           HB       VAL 112  16.547   0.048   4.827
  920   1HG1  VAL 112          1HG1      VAL 112  17.819  -1.338   3.216
  921   2HG1  VAL 112          3HG1      VAL 112  16.289  -1.978   2.615
  922   3HG1  VAL 112          2HG1      VAL 112  16.654  -0.261   2.444
  923   1HG2  VAL 112          3HG2      VAL 112  14.155  -1.582   3.985
  924   2HG2  VAL 112          2HG2      VAL 112  14.205  -0.308   5.204
  925   3HG2  VAL 112          1HG2      VAL 112  14.440   0.091   3.504
  926    H    LYS 113           H        LYS 113  18.538  -3.199   4.710
  927    HA   LYS 113           HA       LYS 113  20.158  -2.584   6.961
  928   1HB   LYS 113           HB2      LYS 113  20.881  -3.634   4.223
  929   2HB   LYS 113           HB3      LYS 113  22.004  -3.530   5.570
  930   1HG   LYS 113           HG2      LYS 113  19.466  -4.994   6.016
  931   2HG   LYS 113           HG3      LYS 113  20.685  -5.751   4.989
  932   1HD   LYS 113           HD2      LYS 113  21.097  -6.532   7.183
  933   2HD   LYS 113           HD3      LYS 113  22.340  -5.325   6.850
  934   1HE   LYS 113           HE2      LYS 113  21.086  -3.660   8.104
  935   2HE   LYS 113           HE3      LYS 113  19.801  -4.832   8.401
  936   1HZ   LYS 113           HZ1      LYS 113  21.375  -6.184   9.641
  937   2HZ   LYS 113           HZ3      LYS 113  22.605  -5.056   9.358
  938   3HZ   LYS 113           HZ2      LYS 113  21.269  -4.632  10.304

  No H/Q in entry =         938
  Start of MODEL   34
    1    H1   GLY  -2           HT3      GLY  -2 -16.079   0.165  29.936
    2    H2   GLY  -2           HT2      GLY  -2 -16.060  -0.744  31.361
    3    H3   GLY  -2           HT1      GLY  -2 -17.419   0.181  30.969
    4   1HA   GLY  -2           HA2      GLY  -2 -16.134   1.272  32.690
    5   2HA   GLY  -2           HA3      GLY  -2 -16.161   2.219  31.211
    6    H    SER  -1           H        SER  -1 -14.270  -0.173  30.298
    7    HA   SER  -1           HA       SER  -1 -11.841   1.298  30.958
    8   1HB   SER  -1           HB2      SER  -1 -10.641  -0.762  31.607
    9   2HB   SER  -1           HB3      SER  -1 -11.970  -0.406  32.710
   10    HG   SER  -1           HG       SER  -1 -13.218  -1.912  31.358
   11    H    HIS   0           H        HIS   0 -10.170   1.038  29.468
   12    HA   HIS   0           HA       HIS   0 -10.770  -0.618  27.113
   13   1HB   HIS   0           HB2      HIS   0  -9.769   2.238  27.064
   14   2HB   HIS   0           HB3      HIS   0  -9.952   1.198  25.654
   15    HD1  HIS   0           HD1      HIS   0 -11.804   3.490  27.845
   16    HD2  HIS   0           HD2      HIS   0 -12.696   0.588  25.008
   17    HE1  HIS   0           HE1      HIS   0 -14.213   3.868  27.233
   18    HE2  HIS   0           HE2      HIS   0 -14.755   2.046  25.578
   19    H    MET   1           H        MET   1  -8.804  -0.844  25.674
   20    HA   MET   1           HA       MET   1  -6.498  -1.419  27.378
   21   1HB   MET   1           HB2      MET   1  -7.104  -2.277  24.542
   22   2HB   MET   1           HB3      MET   1  -5.714  -2.795  25.488
   23   1HG   MET   1           HG2      MET   1  -7.213  -3.855  27.103
   24   2HG   MET   1           HG3      MET   1  -8.601  -3.347  26.140
   25   1HE   MET   1           HE1      MET   1  -8.085  -6.355  27.046
   26   2HE   MET   1           HE3      MET   1  -9.472  -5.872  26.069
   27   3HE   MET   1           HE2      MET   1  -8.466  -7.229  25.563
   28    H    ILE   2           H        ILE   2  -4.356  -1.324  25.886
   29    HA   ILE   2           HA       ILE   2  -3.840   1.453  25.566
   30    HB   ILE   2           HB       ILE   2  -2.066  -0.001  26.311
   31   1HG1  ILE   2          2HG1      ILE   2  -0.276   0.622  24.701
   32   2HG1  ILE   2          3HG1      ILE   2  -1.516   1.100  23.546
   33   1HG2  ILE   2          3HG2      ILE   2  -2.779  -2.037  25.162
   34   2HG2  ILE   2          2HG2      ILE   2  -2.253  -1.352  23.624
   35   3HG2  ILE   2          1HG2      ILE   2  -1.070  -1.701  24.884
   36   1HD1  ILE   2          3HD1      ILE   2  -1.062   2.339  26.249
   37   2HD1  ILE   2          2HD1      ILE   2  -0.581   3.023  24.696
   38   3HD1  ILE   2          1HD1      ILE   2  -2.291   2.823  25.081
   39    H    ALA   3           H        ALA   3  -4.474  -1.191  23.326
   40    HA   ALA   3           HA       ALA   3  -5.325   0.584  21.285
   41   1HB   ALA   3           HB2      ALA   3  -2.917   0.935  21.032
   42   2HB   ALA   3           HB1      ALA   3  -2.694  -0.793  20.764
   43   3HB   ALA   3           HB3      ALA   3  -3.618   0.166  19.609
   44    HA   PRO   4           HA       PRO   4  -5.335  -4.064  19.678
   45   1HB   PRO   4           HB2      PRO   4  -4.881  -5.436  22.270
   46   2HB   PRO   4           HB3      PRO   4  -4.292  -5.852  20.658
   47   1HG   PRO   4           HG2      PRO   4  -2.654  -4.807  22.481
   48   2HG   PRO   4           HG3      PRO   4  -2.530  -4.349  20.771
   49   1HD   PRO   4           HD2      PRO   4  -3.745  -2.845  23.056
   50   2HD   PRO   4           HD3      PRO   4  -2.768  -2.242  21.703
   51    H    LEU   5           H        LEU   5  -7.249  -5.202  19.595
   52    HA   LEU   5           HA       LEU   5  -9.258  -4.434  21.591
   53   1HB   LEU   5           HB2      LEU   5  -9.496  -5.412  18.751
   54   2HB   LEU   5           HB3      LEU   5 -10.875  -5.285  19.826
   55    HG   LEU   5           HG       LEU   5 -10.339  -2.830  20.068
   56   1HD1  LEU   5          1HD1      LEU   5  -8.484  -3.438  17.770
   57   2HD1  LEU   5          3HD1      LEU   5  -8.952  -1.824  18.304
   58   3HD1  LEU   5          2HD1      LEU   5  -8.019  -2.870  19.374
   59   1HD2  LEU   5          1HD2      LEU   5 -10.987  -3.856  17.309
   60   2HD2  LEU   5          3HD2      LEU   5 -12.132  -3.629  18.629
   61   3HD2  LEU   5          2HD2      LEU   5 -11.326  -2.234  17.911
   62    H    SER   6           H        SER   6  -8.278  -7.268  19.666
   63    HA   SER   6           HA       SER   6  -8.876  -8.974  21.959
   64   1HB   SER   6           HB2      SER   6 -10.012  -9.451  19.192
   65   2HB   SER   6           HB3      SER   6 -10.120 -10.578  20.545
   66    HG   SER   6           HG       SER   6 -11.713  -9.453  21.318
   67    H    VAL   7           H        VAL   7  -8.240  -9.727  18.547
   68    HA   VAL   7           HA       VAL   7  -5.509 -10.518  19.184
   69    HB   VAL   7           HB       VAL   7  -5.886 -12.734  17.984
   70   1HG1  VAL   7          1HG1      VAL   7  -7.151 -12.308  20.688
   71   2HG1  VAL   7          3HG1      VAL   7  -6.631 -13.860  20.034
   72   3HG1  VAL   7          2HG1      VAL   7  -5.442 -12.602  20.367
   73   1HG2  VAL   7          1HG2      VAL   7  -8.755 -12.104  18.671
   74   2HG2  VAL   7          3HG2      VAL   7  -8.079 -12.262  17.049
   75   3HG2  VAL   7          2HG2      VAL   7  -8.153 -13.666  18.114
   76    H    LYS   8           H        LYS   8  -4.295  -9.618  17.660
   77    HA   LYS   8           HA       LYS   8  -4.839 -10.037  14.884
   78   1HB   LYS   8           HB2      LYS   8  -4.760  -7.570  14.365
   79   2HB   LYS   8           HB3      LYS   8  -6.245  -8.147  15.099
   80   1HG   LYS   8           HG2      LYS   8  -5.995  -6.382  16.450
   81   2HG   LYS   8           HG3      LYS   8  -4.839  -7.414  17.295
   82   1HD   LYS   8           HD2      LYS   8  -3.710  -5.379  16.952
   83   2HD   LYS   8           HD3      LYS   8  -3.081  -6.471  15.715
   84   1HE   LYS   8           HE2      LYS   8  -3.543  -4.270  14.778
   85   2HE   LYS   8           HE3      LYS   8  -4.600  -5.493  14.072
   86   1HZ   LYS   8           HZ2      LYS   8  -6.363  -4.773  15.560
   87   2HZ   LYS   8           HZ1      LYS   8  -5.349  -3.601  16.236
   88   3HZ   LYS   8           HZ3      LYS   8  -5.817  -3.482  14.614
   89    H    ASP   9           H        ASP   9  -2.973 -10.307  13.896
   90    HA   ASP   9           HA       ASP   9  -0.568  -9.106  15.094
   91   1HB   ASP   9           HB2      ASP   9  -0.726 -11.600  15.345
   92   2HB   ASP   9           HB3      ASP   9  -0.685 -11.721  13.588
   93    H    ASN  10           H        ASN  10   0.241  -7.576  13.817
   94    HA   ASN  10           HA       ASN  10   0.177  -7.983  10.916
   95   1HB   ASN  10           HB2      ASN  10   0.079  -5.275  11.147
   96   2HB   ASN  10           HB3      ASN  10  -1.319  -6.309  10.880
   97   1HD2  ASN  10          1HD2      ASN  10   0.349  -4.249  13.056
   98   2HD2  ASN  10          2HD2      ASN  10  -0.830  -4.255  14.321
   99    H    ASP  11           H        ASP  11   1.351  -5.191  12.590
  100    HA   ASP  11           HA       ASP  11   3.547  -4.514  11.410
  101   1HB   ASP  11           HB2      ASP  11   4.614  -4.156  13.764
  102   2HB   ASP  11           HB3      ASP  11   3.159  -3.283  13.307
  103    H    LYS  12           H        LYS  12   4.911  -5.738  10.373
  104    HA   LYS  12           HA       LYS  12   6.203  -7.988  11.731
  105   1HB   LYS  12           HB2      LYS  12   5.316  -8.688   9.661
  106   2HB   LYS  12           HB3      LYS  12   5.865  -7.236   8.837
  107   1HG   LYS  12           HG2      LYS  12   8.136  -7.962   8.940
  108   2HG   LYS  12           HG3      LYS  12   7.699  -9.348   9.941
  109   1HD   LYS  12           HD2      LYS  12   6.456 -10.332   8.138
  110   2HD   LYS  12           HD3      LYS  12   6.675  -8.891   7.142
  111   1HE   LYS  12           HE2      LYS  12   9.080  -9.282   7.093
  112   2HE   LYS  12           HE3      LYS  12   8.879 -10.707   8.111
  113   1HZ   LYS  12           HZ3      LYS  12   7.752 -10.358   5.386
  114   2HZ   LYS  12           HZ2      LYS  12   9.091 -11.310   5.785
  115   3HZ   LYS  12           HZ1      LYS  12   7.557 -11.725   6.363
  116    H    TRP  13           H        TRP  13   7.804  -7.122  12.923
  117    HA   TRP  13           HA       TRP  13   9.515  -5.040  11.908
  118   1HB   TRP  13           HB2      TRP  13   9.890  -6.507  14.503
  119   2HB   TRP  13           HB3      TRP  13  10.269  -4.837  14.108
  120    HD1  TRP  13           HD1      TRP  13   7.165  -7.068  14.687
  121    HE1  TRP  13           HE1      TRP  13   5.244  -5.590  15.539
  122    HE3  TRP  13           HE3      TRP  13   9.469  -2.505  14.439
  123    HZ2  TRP  13           HZ2      TRP  13   4.745  -2.855  16.030
  124    HZ3  TRP  13           HZ3      TRP  13   8.203  -0.512  15.133
  125    HH2  TRP  13           HH2      TRP  13   5.897  -0.686  15.918
  126    H    VAL  14           H        VAL  14  10.939  -5.685  10.388
  127    HA   VAL  14           HA       VAL  14  12.929  -7.676  11.186
  128    HB   VAL  14           HB       VAL  14  12.793  -8.897   9.047
  129   1HG1  VAL  14          2HG1      VAL  14  11.688  -9.786  11.043
  130   2HG1  VAL  14          1HG1      VAL  14  10.210  -8.933  10.601
  131   3HG1  VAL  14          3HG1      VAL  14  10.824 -10.225   9.570
  132   1HG2  VAL  14          2HG2      VAL  14  11.705  -7.084   7.761
  133   2HG2  VAL  14          1HG2      VAL  14  10.911  -8.647   7.570
  134   3HG2  VAL  14          3HG2      VAL  14  10.201  -7.420   8.619
  135    H    ASP  15           H        ASP  15  14.278  -7.974   8.829
  136    HA   ASP  15           HA       ASP  15  15.218  -5.235   8.290
  137   1HB   ASP  15           HB2      ASP  15  16.645  -7.366   9.218
  138   2HB   ASP  15           HB3      ASP  15  16.917  -7.502   7.481
  139    H    THR  16           H        THR  16  16.704  -5.651   6.026
  140    HA   THR  16           HA       THR  16  15.615  -7.110   3.940
  141    HB   THR  16           HB       THR  16  13.608  -5.572   4.553
  142    HG1  THR  16           HG1      THR  16  13.760  -5.220   1.919
  143   1HG2  THR  16          3HG2      THR  16  14.977  -3.487   4.550
  144   2HG2  THR  16          2HG2      THR  16  15.158  -3.673   2.806
  145   3HG2  THR  16          1HG2      THR  16  13.560  -3.420   3.504
  146    H    HIS  17           H        HIS  17  15.847  -5.639   1.733
  147    HA   HIS  17           HA       HIS  17  18.476  -4.322   1.934
  148   1HB   HIS  17           HB2      HIS  17  17.422  -6.092  -0.281
  149   2HB   HIS  17           HB3      HIS  17  18.915  -5.171  -0.374
  150    HD1  HIS  17           HD1      HIS  17  17.424  -8.219   1.169
  151    HD2  HIS  17           HD2      HIS  17  21.051  -6.192   1.140
  152    HE1  HIS  17           HE1      HIS  17  19.085  -9.800   2.200
  153    HE2  HIS  17           HE2      HIS  17  21.255  -8.520   2.250
  154    H    VAL  18           H        VAL  18  18.773  -3.173  -0.453
  155    HA   VAL  18           HA       VAL  18  16.826  -1.063  -0.374
  156    HB   VAL  18           HB       VAL  18  19.173  -0.533  -0.760
  157   1HG1  VAL  18          2HG1      VAL  18  18.841  -2.022  -3.361
  158   2HG1  VAL  18          1HG1      VAL  18  20.250  -1.072  -2.895
  159   3HG1  VAL  18          3HG1      VAL  18  19.830  -2.526  -1.991
  160   1HG2  VAL  18          1HG2      VAL  18  17.462   0.989  -1.613
  161   2HG2  VAL  18          3HG2      VAL  18  18.891   0.991  -2.648
  162   3HG2  VAL  18          2HG2      VAL  18  17.443   0.116  -3.145
  163    H    GLY  19           H        GLY  19  15.249  -0.572  -1.759
  164   1HA   GLY  19           HA3      GLY  19  14.942  -1.442  -4.398
  165   2HA   GLY  19           HA2      GLY  19  13.662  -0.824  -3.374
  166    H    LYS  20           H        LYS  20  14.421  -3.215  -1.502
  167    HA   LYS  20           HA       LYS  20  13.805  -5.592  -2.812
  168   1HB   LYS  20           HB2      LYS  20  14.485  -4.998  -0.297
  169   2HB   LYS  20           HB3      LYS  20  12.760  -5.194  -0.056
  170   1HG   LYS  20           HG2      LYS  20  13.357  -7.330   0.303
  171   2HG   LYS  20           HG3      LYS  20  13.256  -7.414  -1.460
  172   1HD   LYS  20           HD2      LYS  20  15.582  -7.179  -1.708
  173   2HD   LYS  20           HD3      LYS  20  15.769  -6.639  -0.039
  174   1HE   LYS  20           HE2      LYS  20  14.954  -9.408  -0.923
  175   2HE   LYS  20           HE3      LYS  20  16.552  -8.946  -0.341
  176   1HZ   LYS  20           HZ2      LYS  20  15.566  -8.366   1.790
  177   2HZ   LYS  20           HZ1      LYS  20  14.034  -8.812   1.230
  178   3HZ   LYS  20           HZ3      LYS  20  15.245  -9.981   1.402
  179    H    THR  21           H        THR  21  12.168  -5.062  -4.334
  180    HA   THR  21           HA       THR  21   9.692  -3.931  -3.746
  181    HB   THR  21           HB       THR  21   9.989  -6.072  -5.836
  182    HG1  THR  21           HG1      THR  21  11.740  -4.838  -6.297
  183   1HG2  THR  21          2HG2      THR  21   7.783  -4.997  -5.435
  184   2HG2  THR  21          1HG2      THR  21   8.506  -3.439  -5.834
  185   3HG2  THR  21          3HG2      THR  21   8.412  -4.709  -7.057
  186    H    THR  22           H        THR  22   8.756  -4.709  -1.910
  187    HA   THR  22           HA       THR  22   8.183  -7.568  -1.716
  188    HB   THR  22           HB       THR  22   7.764  -5.325   0.276
  189    HG1  THR  22           HG1      THR  22   9.953  -6.505  -0.362
  190   1HG2  THR  22          3HG2      THR  22   7.358  -8.304   0.601
  191   2HG2  THR  22          2HG2      THR  22   7.278  -7.111   1.897
  192   3HG2  THR  22          1HG2      THR  22   6.092  -7.077   0.594
  193    H    GLU  23           H        GLU  23   6.476  -8.141  -2.881
  194    HA   GLU  23           HA       GLU  23   4.176  -6.430  -3.154
  195   1HB   GLU  23           HB2      GLU  23   5.093  -7.844  -5.011
  196   2HB   GLU  23           HB3      GLU  23   4.558  -9.261  -4.117
  197   1HG   GLU  23           HG2      GLU  23   2.262  -8.596  -4.295
  198   2HG   GLU  23           HG3      GLU  23   2.735  -7.039  -4.986
  199    H    ILE  24           H        ILE  24   2.475  -6.469  -1.882
  200    HA   ILE  24           HA       ILE  24   1.945  -8.901  -0.318
  201    HB   ILE  24           HB       ILE  24   1.576  -6.061   0.605
  202   1HG1  ILE  24          2HG1      ILE  24   3.549  -8.195   1.429
  203   2HG1  ILE  24          3HG1      ILE  24   3.926  -6.698   0.582
  204   1HG2  ILE  24          3HG2      ILE  24  -0.147  -7.586   1.449
  205   2HG2  ILE  24          2HG2      ILE  24   1.110  -8.659   2.065
  206   3HG2  ILE  24          1HG2      ILE  24   0.923  -7.040   2.741
  207   1HD1  ILE  24          2HD1      ILE  24   3.118  -5.453   2.576
  208   2HD1  ILE  24          1HD1      ILE  24   2.967  -6.999   3.410
  209   3HD1  ILE  24          3HD1      ILE  24   4.547  -6.446   2.861
  210    H    HIS  25           H        HIS  25   0.291  -9.717  -1.438
  211    HA   HIS  25           HA       HIS  25  -1.897  -8.058  -2.351
  212   1HB   HIS  25           HB2      HIS  25  -1.229 -10.980  -2.571
  213   2HB   HIS  25           HB3      HIS  25  -2.816 -10.381  -3.010
  214    HD1  HIS  25           HD1      HIS  25  -2.484 -10.983  -5.492
  215    HD2  HIS  25           HD2      HIS  25   0.327  -8.306  -4.014
  216    HE1  HIS  25           HE1      HIS  25  -1.288 -10.083  -7.511
  217    HE2  HIS  25           HE2      HIS  25   0.354  -8.405  -6.598
  218    H    LEU  26           H        LEU  26  -3.333  -7.414  -0.878
  219    HA   LEU  26           HA       LEU  26  -3.930  -9.182   1.392
  220   1HB   LEU  26           HB2      LEU  26  -4.777  -6.325   0.978
  221   2HB   LEU  26           HB3      LEU  26  -4.886  -7.249   2.463
  222    HG   LEU  26           HG       LEU  26  -2.247  -6.598   1.160
  223   1HD1  LEU  26          1HD1      LEU  26  -3.397  -4.506   1.645
  224   2HD1  LEU  26          3HD1      LEU  26  -3.700  -5.045   3.297
  225   3HD1  LEU  26          2HD1      LEU  26  -2.047  -4.757   2.753
  226   1HD2  LEU  26          1HD2      LEU  26  -2.370  -8.460   2.820
  227   2HD2  LEU  26          3HD2      LEU  26  -1.308  -7.134   3.289
  228   3HD2  LEU  26          2HD2      LEU  26  -2.907  -7.282   4.020
  229    H    LYS  27           H        LYS  27  -6.313  -8.851   2.177
  230    HA   LYS  27           HA       LYS  27  -8.091  -9.193  -0.147
  231   1HB   LYS  27           HB2      LYS  27  -8.395 -10.538   2.541
  232   2HB   LYS  27           HB3      LYS  27  -9.355 -10.828   1.098
  233   1HG   LYS  27           HG2      LYS  27  -7.414 -11.757  -0.033
  234   2HG   LYS  27           HG3      LYS  27  -6.421 -11.439   1.391
  235   1HD   LYS  27           HD2      LYS  27  -7.821 -12.952   2.708
  236   2HD   LYS  27           HD3      LYS  27  -8.820 -13.268   1.287
  237   1HE   LYS  27           HE2      LYS  27  -7.208 -15.063   1.644
  238   2HE   LYS  27           HE3      LYS  27  -6.891 -14.214   0.131
  239   1HZ   LYS  27           HZ2      LYS  27  -5.439 -13.788   2.688
  240   2HZ   LYS  27           HZ1      LYS  27  -4.852 -14.641   1.350
  241   3HZ   LYS  27           HZ3      LYS  27  -5.135 -12.976   1.235
  242    H    GLY  28           H        GLY  28 -10.462  -8.861   0.520
  243   1HA   GLY  28           HA3      GLY  28 -10.631  -6.221   1.664
  244   2HA   GLY  28           HA2      GLY  28 -11.374  -7.459   2.661
  245    H    ASN  29           H        ASN  29 -12.761  -5.281   1.538
  246    HA   ASN  29           HA       ASN  29 -14.094  -5.954  -0.864
  247   1HB   ASN  29           HB2      ASN  29 -14.981  -7.742   0.673
  248   2HB   ASN  29           HB3      ASN  29 -15.721  -6.461   1.631
  249   1HD2  ASN  29          1HD2      ASN  29 -17.424  -5.265   0.749
  250   2HD2  ASN  29          2HD2      ASN  29 -18.338  -5.847  -0.597
  251    HA   PRO  30           HA       PRO  30 -14.583  -1.555   0.214
  252   1HB   PRO  30           HB2      PRO  30 -15.172  -0.773  -2.339
  253   2HB   PRO  30           HB3      PRO  30 -13.525  -0.974  -1.730
  254   1HG   PRO  30           HG2      PRO  30 -15.188  -2.854  -3.364
  255   2HG   PRO  30           HG3      PRO  30 -13.473  -2.440  -3.536
  256   1HD   PRO  30           HD2      PRO  30 -14.272  -4.725  -2.359
  257   2HD   PRO  30           HD3      PRO  30 -12.832  -3.843  -1.812
  258    H    THR  31           H        THR  31 -16.383   0.053  -0.479
  259    HA   THR  31           HA       THR  31 -18.557   0.626  -0.183
  260    HB   THR  31           HB       THR  31 -20.037  -0.134  -1.814
  261    HG1  THR  31           HG1      THR  31 -20.246  -2.268  -1.727
  262   1HG2  THR  31          1HG2      THR  31 -17.277  -0.646  -2.915
  263   2HG2  THR  31          3HG2      THR  31 -18.720  -0.323  -3.875
  264   3HG2  THR  31          2HG2      THR  31 -18.076   0.922  -2.806
  265    H    THR  32           H        THR  32 -17.378  -1.590   1.542
  266    HA   THR  32           HA       THR  32 -19.909  -2.353   2.780
  267    HB   THR  32           HB       THR  32 -17.759  -4.318   1.992
  268    HG1  THR  32           HG1      THR  32 -20.355  -4.990   1.522
  269   1HG2  THR  32          2HG2      THR  32 -20.117  -4.742   3.829
  270   2HG2  THR  32          1HG2      THR  32 -19.050  -6.009   3.222
  271   3HG2  THR  32          3HG2      THR  32 -18.416  -4.763   4.297
  272    H    GLY  33           H        GLY  33 -16.479  -3.229   3.215
  273   1HA   GLY  33           HA3      GLY  33 -15.459  -3.475   5.344
  274   2HA   GLY  33           HA2      GLY  33 -16.718  -2.463   6.035
  275    H    TYR  34           H        TYR  34 -13.537  -2.558   5.260
  276    HA   TYR  34           HA       TYR  34 -13.385   0.364   4.911
  277   1HB   TYR  34           HB2      TYR  34 -11.620  -1.405   6.619
  278   2HB   TYR  34           HB3      TYR  34 -11.316   0.298   6.304
  279    HD1  TYR  34           HD1      TYR  34 -14.198  -1.801   7.462
  280    HD2  TYR  34           HD2      TYR  34 -11.882   1.733   8.023
  281    HE1  TYR  34           HE1      TYR  34 -15.588  -1.200   9.396
  282    HE2  TYR  34           HE2      TYR  34 -13.273   2.338   9.955
  283    HH   TYR  34           HH       TYR  34 -15.425   0.171  11.430
  284    H    MET  35           H        MET  35 -10.831   0.811   4.462
  285    HA   MET  35           HA       MET  35 -10.190  -0.756   2.074
  286   1HB   MET  35           HB2      MET  35 -10.448   1.413   1.304
  287   2HB   MET  35           HB3      MET  35  -9.880   2.122   2.809
  288   1HG   MET  35           HG2      MET  35  -7.595   1.411   2.255
  289   2HG   MET  35           HG3      MET  35  -8.188   0.781   0.734
  290   1HE   MET  35           HE2      MET  35 -10.319   2.844  -0.142
  291   2HE   MET  35           HE1      MET  35  -9.429   4.068  -1.048
  292   3HE   MET  35           HE3      MET  35  -9.086   2.358  -1.304
  293    H    TRP  36           H        TRP  36  -8.058  -1.347   1.695
  294    HA   TRP  36           HA       TRP  36  -6.335  -1.346   4.078
  295   1HB   TRP  36           HB2      TRP  36  -6.979  -3.373   2.077
  296   2HB   TRP  36           HB3      TRP  36  -5.251  -3.165   2.315
  297    HD1  TRP  36           HD1      TRP  36  -7.972  -5.174   3.569
  298    HE1  TRP  36           HE1      TRP  36  -7.467  -6.131   5.905
  299    HE3  TRP  36           HE3      TRP  36  -3.983  -2.224   4.815
  300    HZ2  TRP  36           HZ2      TRP  36  -5.625  -5.696   7.992
  301    HZ3  TRP  36           HZ3      TRP  36  -2.909  -2.562   6.998
  302    HH2  TRP  36           HH2      TRP  36  -3.715  -4.262   8.552
  303    H    THR  37           H        THR  37  -5.510   0.743   3.612
  304    HA   THR  37           HA       THR  37  -3.625   0.761   1.345
  305    HB   THR  37           HB       THR  37  -5.547   2.255   0.899
  306    HG1  THR  37           HG1      THR  37  -3.575   2.864   0.002
  307   1HG2  THR  37          1HG2      THR  37  -4.558   3.717   3.351
  308   2HG2  THR  37          3HG2      THR  37  -5.780   4.316   2.229
  309   3HG2  THR  37          2HG2      THR  37  -6.096   2.869   3.189
  310    H    ARG  38           H        ARG  38  -2.278   3.120   1.915
  311    HA   ARG  38           HA       ARG  38  -0.699   2.273   4.184
  312   1HB   ARG  38           HB2      ARG  38  -0.232   3.653   1.768
  313   2HB   ARG  38           HB3      ARG  38   0.204   4.748   3.059
  314   1HG   ARG  38           HG2      ARG  38   1.989   3.556   3.671
  315   2HG   ARG  38           HG3      ARG  38   1.213   2.011   3.311
  316   1HD   ARG  38           HD2      ARG  38   2.285   3.959   1.273
  317   2HD   ARG  38           HD3      ARG  38   3.055   2.487   1.774
  318    HE   ARG  38           HE       ARG  38   1.128   2.685  -0.203
  319   1HH1  ARG  38          1HH1      ARG  38   1.851   0.719   2.577
  320   2HH1  ARG  38          2HH1      ARG  38   1.014  -0.671   1.972
  321   1HH2  ARG  38          1HH2      ARG  38   0.018   0.853  -1.001
  322   2HH2  ARG  38          2HH2      ARG  38  -0.033  -0.591  -0.051
  323    H    VAL  39           H        VAL  39  -0.568   3.217   6.134
  324    HA   VAL  39           HA       VAL  39  -2.591   4.765   7.187
  325    HB   VAL  39           HB       VAL  39   0.255   4.737   8.200
  326   1HG1  VAL  39          3HG1      VAL  39  -2.370   5.191   9.611
  327   2HG1  VAL  39          2HG1      VAL  39  -0.791   5.098  10.391
  328   3HG1  VAL  39          1HG1      VAL  39  -1.144   6.410   9.266
  329   1HG2  VAL  39          2HG2      VAL  39  -0.751   2.457   7.755
  330   2HG2  VAL  39          1HG2      VAL  39  -0.211   2.762   9.406
  331   3HG2  VAL  39          3HG2      VAL  39  -1.928   2.836   9.012
  332    H    GLY  40           H        GLY  40  -3.000   6.905   7.412
  333   1HA   GLY  40           HA3      GLY  40  -1.010   8.928   7.037
  334   2HA   GLY  40           HA2      GLY  40  -2.734   9.191   7.250
  335    H    PHE  41           H        PHE  41  -1.661   7.061   4.754
  336    HA   PHE  41           HA       PHE  41  -1.926   9.153   2.722
  337   1HB   PHE  41           HB2      PHE  41  -0.949   6.305   2.419
  338   2HB   PHE  41           HB3      PHE  41  -0.848   7.581   1.210
  339    HD1  PHE  41           HD1      PHE  41   1.442   5.907   2.317
  340    HD2  PHE  41           HD2      PHE  41  -0.111   9.712   3.421
  341    HE1  PHE  41           HE1      PHE  41   3.648   6.547   3.197
  342    HE2  PHE  41           HE2      PHE  41   2.096  10.361   4.299
  343    HZ   PHE  41           HZ       PHE  41   3.978   8.776   4.189
  344    H    VAL  42           H        VAL  42  -4.079   7.765   4.275
  345    HA   VAL  42           HA       VAL  42  -5.498   6.118   2.409
  346    HB   VAL  42           HB       VAL  42  -6.600   7.454   4.882
  347   1HG1  VAL  42          1HG1      VAL  42  -8.217   6.467   3.280
  348   2HG1  VAL  42          3HG1      VAL  42  -7.423   4.907   3.505
  349   3HG1  VAL  42          2HG1      VAL  42  -8.225   5.694   4.864
  350   1HG2  VAL  42          1HG2      VAL  42  -4.457   6.113   5.198
  351   2HG2  VAL  42          3HG2      VAL  42  -5.844   5.667   6.189
  352   3HG2  VAL  42          2HG2      VAL  42  -5.423   4.698   4.780
  353    H    GLY  43           H        GLY  43  -6.219   7.023   0.587
  354   1HA   GLY  43           HA3      GLY  43  -7.842   9.475   0.831
  355   2HA   GLY  43           HA2      GLY  43  -8.099   8.223  -0.376
  356    H    LYS  44           H        LYS  44  -4.852   9.094   0.323
  357    HA   LYS  44           HA       LYS  44  -4.533  11.240  -1.475
  358   1HB   LYS  44           HB2      LYS  44  -2.566   9.241  -0.358
  359   2HB   LYS  44           HB3      LYS  44  -2.099  10.634  -1.317
  360   1HG   LYS  44           HG2      LYS  44  -3.175  12.093   0.380
  361   2HG   LYS  44           HG3      LYS  44  -3.458  10.656   1.365
  362   1HD   LYS  44           HD2      LYS  44  -1.465  11.731   2.153
  363   2HD   LYS  44           HD3      LYS  44  -1.004  10.233   1.341
  364   1HE   LYS  44           HE2      LYS  44  -0.433  11.498  -0.672
  365   2HE   LYS  44           HE3      LYS  44  -0.901  12.996   0.133
  366   1HZ   LYS  44           HZ3      LYS  44   0.851  12.620   1.760
  367   2HZ   LYS  44           HZ2      LYS  44   1.305  11.193   0.974
  368   3HZ   LYS  44           HZ1      LYS  44   1.487  12.683   0.193
  369    H    ASP  45           H        ASP  45  -2.960  11.058  -3.379
  370    HA   ASP  45           HA       ASP  45  -4.017   9.066  -5.198
  371   1HB   ASP  45           HB2      ASP  45  -2.380  11.568  -5.505
  372   2HB   ASP  45           HB3      ASP  45  -2.541  10.427  -6.830
  373    H    VAL  46           H        VAL  46  -1.064   9.895  -3.549
  374    HA   VAL  46           HA       VAL  46   0.152   7.422  -4.570
  375    HB   VAL  46           HB       VAL  46   1.286  10.168  -4.630
  376   1HG1  VAL  46          2HG1      VAL  46   2.947   7.726  -4.016
  377   2HG1  VAL  46          1HG1      VAL  46   3.598   9.262  -4.586
  378   3HG1  VAL  46          3HG1      VAL  46   2.782   9.176  -3.027
  379   1HG2  VAL  46          1HG2      VAL  46   0.578   8.971  -6.652
  380   2HG2  VAL  46          3HG2      VAL  46   2.303   9.335  -6.668
  381   3HG2  VAL  46          2HG2      VAL  46   1.752   7.701  -6.295
  382    H    LEU  47           H        LEU  47   0.629   6.097  -3.052
  383    HA   LEU  47           HA       LEU  47   0.524   6.798  -0.288
  384   1HB   LEU  47           HB2      LEU  47   1.546   4.235  -1.488
  385   2HB   LEU  47           HB3      LEU  47   0.839   4.464   0.097
  386    HG   LEU  47           HG       LEU  47  -0.587   4.615  -2.566
  387   1HD1  LEU  47          2HD1      LEU  47  -0.044   2.349  -1.727
  388   2HD1  LEU  47          1HD1      LEU  47  -0.977   2.701  -0.274
  389   3HD1  LEU  47          3HD1      LEU  47  -1.776   2.661  -1.847
  390   1HD2  LEU  47          2HD2      LEU  47  -1.640   5.105   0.217
  391   2HD2  LEU  47          1HD2      LEU  47  -1.543   6.272  -1.101
  392   3HD2  LEU  47          3HD2      LEU  47  -2.645   4.899  -1.218
  393    H    SER  48           H        SER  48   3.076   5.358  -2.288
  394    HA   SER  48           HA       SER  48   5.225   5.583  -0.611
  395   1HB   SER  48           HB2      SER  48   6.604   5.455  -2.574
  396   2HB   SER  48           HB3      SER  48   5.163   4.495  -2.872
  397    HG   SER  48           HG       SER  48   4.616   5.809  -4.420
  398    H    ASP  49           H        ASP  49   7.199   7.095  -1.136
  399    HA   ASP  49           HA       ASP  49   6.481   9.823  -1.757
  400   1HB   ASP  49           HB2      ASP  49   7.222   8.993   1.042
  401   2HB   ASP  49           HB3      ASP  49   7.456  10.640   0.463
  402    H    GLU  50           H        GLU  50   9.078   9.191   0.439
  403    HA   GLU  50           HA       GLU  50  11.015   9.325  -1.770
  404   1HB   GLU  50           HB2      GLU  50  12.384  10.821  -0.444
  405   2HB   GLU  50           HB3      GLU  50  10.768  11.496  -0.619
  406   1HG   GLU  50           HG2      GLU  50  10.192  10.709   1.618
  407   2HG   GLU  50           HG3      GLU  50  11.821  10.058   1.803
  408    H    ILE  51           H        ILE  51  10.226   8.198   1.441
  409    HA   ILE  51           HA       ILE  51  12.697   6.852   1.926
  410    HB   ILE  51           HB       ILE  51  10.014   6.311   3.197
  411   1HG1  ILE  51          2HG1      ILE  51  10.661   8.716   3.278
  412   2HG1  ILE  51          3HG1      ILE  51  10.571   7.956   4.861
  413   1HG2  ILE  51          3HG2      ILE  51  12.840   5.773   4.084
  414   2HG2  ILE  51          2HG2      ILE  51  11.428   5.620   5.130
  415   3HG2  ILE  51          1HG2      ILE  51  11.588   4.590   3.708
  416   1HD1  ILE  51          3HD1      ILE  51  13.102   8.458   3.315
  417   2HD1  ILE  51          2HD1      ILE  51  12.500   9.444   4.649
  418   3HD1  ILE  51          1HD1      ILE  51  12.986   7.773   4.936
  419    H    LEU  52           H        LEU  52   9.502   5.343   1.804
  420    HA   LEU  52           HA       LEU  52  10.694   3.064   0.388
  421   1HB   LEU  52           HB2      LEU  52   8.374   3.390   2.233
  422   2HB   LEU  52           HB3      LEU  52   8.331   2.089   1.060
  423    HG   LEU  52           HG       LEU  52  10.616   2.450   2.987
  424   1HD1  LEU  52          1HD1      LEU  52   8.135   0.771   3.320
  425   2HD1  LEU  52          3HD1      LEU  52   9.557   0.719   4.360
  426   3HD1  LEU  52          2HD1      LEU  52   8.575   2.182   4.281
  427   1HD2  LEU  52          3HD2      LEU  52  10.781   1.040   0.850
  428   2HD2  LEU  52          2HD2      LEU  52  11.256   0.292   2.375
  429   3HD2  LEU  52          1HD2      LEU  52   9.684  -0.073   1.665
  430    H    GLU  53           H        GLU  53  10.415   3.049  -1.760
  431    HA   GLU  53           HA       GLU  53   8.410   4.551  -3.097
  432   1HB   GLU  53           HB2      GLU  53  10.610   2.768  -3.817
  433   2HB   GLU  53           HB3      GLU  53   9.226   2.602  -4.888
  434   1HG   GLU  53           HG2      GLU  53  10.098   5.344  -4.267
  435   2HG   GLU  53           HG3      GLU  53  11.184   4.367  -5.253
  436    H    VAL  54           H        VAL  54   6.626   3.676  -1.711
  437    HA   VAL  54           HA       VAL  54   5.796   0.975  -2.085
  438    HB   VAL  54           HB       VAL  54   3.886   3.076  -1.151
  439   1HG1  VAL  54          3HG1      VAL  54   4.429   0.179  -0.585
  440   2HG1  VAL  54          2HG1      VAL  54   3.354   1.153   0.416
  441   3HG1  VAL  54          1HG1      VAL  54   2.990   0.912  -1.295
  442   1HG2  VAL  54          2HG2      VAL  54   6.213   1.997   0.439
  443   2HG2  VAL  54          1HG2      VAL  54   5.888   3.682   0.030
  444   3HG2  VAL  54          3HG2      VAL  54   4.818   2.823   1.138
  445    H    VAL  55           H        VAL  55   5.627   0.709  -4.317
  446    HA   VAL  55           HA       VAL  55   3.638   2.253  -5.753
  447    HB   VAL  55           HB       VAL  55   5.139  -0.169  -6.729
  448   1HG1  VAL  55          3HG1      VAL  55   3.076   0.657  -7.938
  449   2HG1  VAL  55          2HG1      VAL  55   3.996   2.112  -8.323
  450   3HG1  VAL  55          1HG1      VAL  55   4.546   0.542  -8.907
  451   1HG2  VAL  55          2HG2      VAL  55   5.934   2.738  -6.927
  452   2HG2  VAL  55          1HG2      VAL  55   6.757   1.491  -5.990
  453   3HG2  VAL  55          3HG2      VAL  55   6.738   1.402  -7.752
  454    H    CYS  56           H        CYS  56   1.778   1.678  -4.630
  455    HA   CYS  56           HA       CYS  56   0.974  -1.141  -4.845
  456   1HB   CYS  56           HB2      CYS  56   1.010  -0.454  -2.552
  457   2HB   CYS  56           HB3      CYS  56   0.102   1.008  -2.921
  458    HG   CYS  56           HG       CYS  56  -1.241  -2.100  -3.354
  459    H    LYS  57           H        LYS  57  -1.163  -1.643  -5.411
  460    HA   LYS  57           HA       LYS  57  -2.705   0.487  -6.697
  461   1HB   LYS  57           HB2      LYS  57  -2.239  -2.197  -7.985
  462   2HB   LYS  57           HB3      LYS  57  -3.079  -0.819  -8.674
  463   1HG   LYS  57           HG2      LYS  57  -0.989   0.436  -8.741
  464   2HG   LYS  57           HG3      LYS  57  -0.139  -0.938  -8.032
  465   1HD   LYS  57           HD2      LYS  57  -0.727  -2.308  -9.970
  466   2HD   LYS  57           HD3      LYS  57  -1.589  -0.940 -10.679
  467   1HE   LYS  57           HE2      LYS  57   0.492   0.333 -10.765
  468   2HE   LYS  57           HE3      LYS  57   1.357  -1.021 -10.041
  469   1HZ   LYS  57           HZ2      LYS  57  -0.036  -1.068 -12.663
  470   2HZ   LYS  57           HZ1      LYS  57   1.637  -0.970 -12.438
  471   3HZ   LYS  57           HZ3      LYS  57   0.800  -2.364 -11.969
  472    H    TYR  58           H        TYR  58  -4.641   0.487  -5.848
  473    HA   TYR  58           HA       TYR  58  -5.667  -1.797  -4.417
  474   1HB   TYR  58           HB2      TYR  58  -5.968   0.588  -3.647
  475   2HB   TYR  58           HB3      TYR  58  -7.047   0.838  -5.015
  476    HD1  TYR  58           HD1      TYR  58  -8.568  -1.769  -4.901
  477    HD2  TYR  58           HD2      TYR  58  -7.376   0.937  -1.821
  478    HE1  TYR  58           HE1      TYR  58 -10.464  -2.509  -3.545
  479    HE2  TYR  58           HE2      TYR  58  -9.301   0.207  -0.466
  480    HH   TYR  58           HH       TYR  58 -11.501  -0.832  -0.776
  481    H    THR  59           H        THR  59  -6.085  -3.399  -5.878
  482    HA   THR  59           HA       THR  59  -7.816  -2.812  -8.173
  483    HB   THR  59           HB       THR  59  -6.410  -5.408  -7.525
  484    HG1  THR  59           HG1      THR  59  -5.557  -3.372  -9.332
  485   1HG2  THR  59          3HG2      THR  59  -8.275  -5.616  -9.092
  486   2HG2  THR  59          2HG2      THR  59  -7.588  -4.339 -10.094
  487   3HG2  THR  59          1HG2      THR  59  -6.736  -5.871  -9.913
  488    HA   PRO  60           HA       PRO  60 -10.968  -4.856  -5.660
  489   1HB   PRO  60           HB2      PRO  60 -12.962  -3.195  -6.244
  490   2HB   PRO  60           HB3      PRO  60 -11.643  -2.674  -5.196
  491   1HG   PRO  60           HG2      PRO  60 -12.231  -1.947  -8.005
  492   2HG   PRO  60           HG3      PRO  60 -11.371  -1.025  -6.761
  493   1HD   PRO  60           HD2      PRO  60 -10.274  -2.652  -8.847
  494   2HD   PRO  60           HD3      PRO  60  -9.405  -1.721  -7.610
  495    H    THR  61           H        THR  61 -10.135  -5.590  -8.460
  496    HA   THR  61           HA       THR  61 -12.397  -5.864 -10.095
  497    HB   THR  61           HB       THR  61 -10.997  -7.649 -11.212
  498    HG1  THR  61           HG1      THR  61  -9.669  -8.372  -9.618
  499   1HG2  THR  61          2HG2      THR  61 -10.969  -5.298 -11.923
  500   2HG2  THR  61          1HG2      THR  61  -9.684  -4.975 -10.760
  501   3HG2  THR  61          3HG2      THR  61  -9.389  -6.059 -12.120
  502    HA   PRO  62           HA       PRO  62 -14.362  -9.340  -8.157
  503   1HB   PRO  62           HB2      PRO  62 -16.038 -10.077 -10.115
  504   2HB   PRO  62           HB3      PRO  62 -16.240  -8.550  -9.248
  505   1HG   PRO  62           HG2      PRO  62 -15.060  -9.059 -11.947
  506   2HG   PRO  62           HG3      PRO  62 -16.123  -7.745 -11.419
  507   1HD   PRO  62           HD2      PRO  62 -13.391  -7.527 -11.681
  508   2HD   PRO  62           HD3      PRO  62 -14.385  -6.496 -10.633
  509    H    SER  63           H        SER  63 -14.474 -11.616  -8.192
  510    HA   SER  63           HA       SER  63 -12.452 -12.868  -9.893
  511   1HB   SER  63           HB2      SER  63 -12.814 -14.820  -8.275
  512   2HB   SER  63           HB3      SER  63 -12.081 -13.363  -7.608
  513    HG   SER  63           HG       SER  63 -13.666 -13.372  -6.243
  514    H    SER  64           H        SER  64 -13.146 -15.426 -10.063
  515    HA   SER  64           HA       SER  64 -15.860 -15.532 -11.168
  516   1HB   SER  64           HB2      SER  64 -15.033 -16.699 -13.176
  517   2HB   SER  64           HB3      SER  64 -14.360 -15.074 -13.054
  518    HG   SER  64           HG       SER  64 -12.541 -16.110 -13.307
  519    H    THR  65           H        THR  65 -13.700 -16.803  -9.073
  520    HA   THR  65           HA       THR  65 -14.543 -19.576  -9.465
  521    HB   THR  65           HB       THR  65 -12.461 -18.498  -7.562
  522    HG1  THR  65           HG1      THR  65 -12.161 -19.892 -10.034
  523   1HG2  THR  65          3HG2      THR  65 -13.149 -21.332  -8.350
  524   2HG2  THR  65          2HG2      THR  65 -11.791 -20.852  -7.332
  525   3HG2  THR  65          1HG2      THR  65 -13.445 -20.590  -6.777
  526    HA   PRO  66           HA       PRO  66 -16.018 -18.698  -4.975
  527   1HB   PRO  66           HB2      PRO  66 -15.832 -15.849  -4.483
  528   2HB   PRO  66           HB3      PRO  66 -15.045 -17.170  -3.618
  529   1HG   PRO  66           HG2      PRO  66 -13.688 -15.374  -5.150
  530   2HG   PRO  66           HG3      PRO  66 -13.143 -17.041  -4.889
  531   1HD   PRO  66           HD2      PRO  66 -14.605 -15.873  -7.234
  532   2HD   PRO  66           HD3      PRO  66 -13.237 -17.007  -7.218
  533    H    MET  67           H        MET  67 -17.528 -16.452  -4.010
  534    HA   MET  67           HA       MET  67 -19.564 -16.137  -6.115
  535   1HB   MET  67           HB2      MET  67 -20.078 -16.801  -3.207
  536   2HB   MET  67           HB3      MET  67 -21.318 -16.436  -4.399
  537   1HG   MET  67           HG2      MET  67 -20.664 -18.407  -5.684
  538   2HG   MET  67           HG3      MET  67 -19.424 -18.774  -4.485
  539   1HE   MET  67           HE1      MET  67 -20.416 -21.233  -4.251
  540   2HE   MET  67           HE3      MET  67 -22.106 -21.574  -3.881
  541   3HE   MET  67           HE2      MET  67 -21.670 -20.856  -5.433
  542    H    VAL  68           H        VAL  68 -17.373 -14.503  -4.768
  543    HA   VAL  68           HA       VAL  68 -19.019 -12.268  -3.802
  544    HB   VAL  68           HB       VAL  68 -17.208 -13.221  -2.310
  545   1HG1  VAL  68          3HG1      VAL  68 -15.521 -13.598  -4.033
  546   2HG1  VAL  68          2HG1      VAL  68 -15.397 -11.859  -4.300
  547   3HG1  VAL  68          1HG1      VAL  68 -14.907 -12.550  -2.753
  548   1HG2  VAL  68          3HG2      VAL  68 -18.171 -11.019  -1.929
  549   2HG2  VAL  68          2HG2      VAL  68 -16.446 -11.010  -1.561
  550   3HG2  VAL  68          1HG2      VAL  68 -17.030 -10.305  -3.068
  551    H    GLY  69           H        GLY  69 -18.516 -10.132  -4.517
  552   1HA   GLY  69           HA3      GLY  69 -18.584  -9.269  -6.896
  553   2HA   GLY  69           HA2      GLY  69 -17.009 -10.031  -7.055
  554    H    VAL  70           H        VAL  70 -15.508  -8.501  -7.152
  555    HA   VAL  70           HA       VAL  70 -14.222  -6.710  -6.640
  556    HB   VAL  70           HB       VAL  70 -16.908  -5.576  -5.884
  557   1HG1  VAL  70          3HG1      VAL  70 -15.097  -4.387  -4.699
  558   2HG1  VAL  70          2HG1      VAL  70 -14.313  -4.081  -6.248
  559   3HG1  VAL  70          1HG1      VAL  70 -15.890  -3.374  -5.904
  560   1HG2  VAL  70          1HG2      VAL  70 -16.613  -6.183  -8.244
  561   2HG2  VAL  70          3HG2      VAL  70 -16.772  -4.440  -8.025
  562   3HG2  VAL  70          2HG2      VAL  70 -15.185  -5.150  -8.321
  563    H    GLY  71           H        GLY  71 -12.930  -7.482  -5.038
  564   1HA   GLY  71           HA3      GLY  71 -12.845  -8.351  -2.702
  565   2HA   GLY  71           HA2      GLY  71 -13.828  -6.961  -2.275
  566    H    GLY  72           H        GLY  72 -11.040  -7.124  -4.433
  567   1HA   GLY  72           HA3      GLY  72  -9.747  -5.091  -2.747
  568   2HA   GLY  72           HA2      GLY  72  -9.462  -5.299  -4.461
  569    H    ILE  73           H        ILE  73  -7.549  -6.127  -4.910
  570    HA   ILE  73           HA       ILE  73  -6.536  -8.353  -3.382
  571    HB   ILE  73           HB       ILE  73  -6.282  -7.475  -6.067
  572   1HG1  ILE  73          2HG1      ILE  73  -6.778  -9.722  -5.195
  573   2HG1  ILE  73          3HG1      ILE  73  -5.480  -9.726  -6.387
  574   1HG2  ILE  73          1HG2      ILE  73  -4.206  -6.357  -5.385
  575   2HG2  ILE  73          3HG2      ILE  73  -3.611  -7.877  -4.714
  576   3HG2  ILE  73          2HG2      ILE  73  -3.888  -7.727  -6.450
  577   1HD1  ILE  73          2HD1      ILE  73  -5.065  -9.787  -3.400
  578   2HD1  ILE  73          1HD1      ILE  73  -5.031 -11.203  -4.458
  579   3HD1  ILE  73          3HD1      ILE  73  -3.821  -9.930  -4.645
  580    H    TYR  74           H        TYR  74  -5.992  -5.017  -3.691
  581    HA   TYR  74           HA       TYR  74  -4.422  -3.570  -2.863
  582   1HB   TYR  74           HB2      TYR  74  -4.251  -5.547  -0.593
  583   2HB   TYR  74           HB3      TYR  74  -4.014  -3.805  -0.524
  584    HD1  TYR  74           HD1      TYR  74  -5.948  -2.289  -0.691
  585    HD2  TYR  74           HD2      TYR  74  -6.447  -6.506  -0.470
  586    HE1  TYR  74           HE1      TYR  74  -8.305  -1.980  -0.075
  587    HE2  TYR  74           HE2      TYR  74  -8.807  -6.201   0.134
  588    HH   TYR  74           HH       TYR  74 -10.240  -4.474   1.143
  589    H    VAL  75           H        VAL  75  -2.913  -4.262  -4.603
  590    HA   VAL  75           HA       VAL  75  -0.785  -6.056  -3.725
  591    HB   VAL  75           HB       VAL  75  -1.514  -6.425  -5.990
  592   1HG1  VAL  75          3HG1      VAL  75  -2.404  -4.161  -6.409
  593   2HG1  VAL  75          2HG1      VAL  75  -0.751  -3.576  -6.595
  594   3HG1  VAL  75          1HG1      VAL  75  -1.399  -4.761  -7.727
  595   1HG2  VAL  75          1HG2      VAL  75   0.870  -6.719  -5.521
  596   2HG2  VAL  75          3HG2      VAL  75   0.593  -6.219  -7.189
  597   3HG2  VAL  75          2HG2      VAL  75   1.169  -5.049  -6.001
  598    H    VAL  76           H        VAL  76   0.520  -5.070  -2.326
  599    HA   VAL  76           HA       VAL  76   1.387  -2.322  -2.859
  600    HB   VAL  76           HB       VAL  76   1.939  -3.967  -0.397
  601   1HG1  VAL  76          2HG1      VAL  76   2.030  -1.008  -0.950
  602   2HG1  VAL  76          1HG1      VAL  76   2.246  -1.747   0.636
  603   3HG1  VAL  76          3HG1      VAL  76   3.404  -2.073  -0.653
  604   1HG2  VAL  76          1HG2      VAL  76  -0.493  -3.760  -0.815
  605   2HG2  VAL  76          3HG2      VAL  76   0.035  -2.929   0.648
  606   3HG2  VAL  76          2HG2      VAL  76  -0.311  -2.006  -0.814
  607    H    LEU  77           H        LEU  77   3.242  -2.026  -3.927
  608    HA   LEU  77           HA       LEU  77   5.389  -4.018  -3.616
  609   1HB   LEU  77           HB2      LEU  77   4.846  -1.988  -5.775
  610   2HB   LEU  77           HB3      LEU  77   6.364  -2.854  -5.655
  611    HG   LEU  77           HG       LEU  77   3.633  -4.085  -6.100
  612   1HD1  LEU  77          1HD1      LEU  77   4.475  -2.898  -8.053
  613   2HD1  LEU  77          3HD1      LEU  77   5.996  -3.784  -7.947
  614   3HD1  LEU  77          2HD1      LEU  77   4.499  -4.642  -8.314
  615   1HD2  LEU  77          2HD2      LEU  77   5.418  -5.387  -4.755
  616   2HD2  LEU  77          1HD2      LEU  77   4.613  -6.184  -6.109
  617   3HD2  LEU  77          3HD2      LEU  77   6.239  -5.535  -6.309
  618    H    VAL  78           H        VAL  78   6.396  -3.311  -1.774
  619    HA   VAL  78           HA       VAL  78   7.069  -0.479  -1.565
  620    HB   VAL  78           HB       VAL  78   8.141  -2.189   0.537
  621   1HG1  VAL  78          3HG1      VAL  78   7.917   0.290   0.605
  622   2HG1  VAL  78          2HG1      VAL  78   6.161   0.103   0.613
  623   3HG1  VAL  78          1HG1      VAL  78   7.123  -0.514   1.959
  624   1HG2  VAL  78          2HG2      VAL  78   5.161  -2.162   0.083
  625   2HG2  VAL  78          1HG2      VAL  78   6.219  -3.572   0.036
  626   3HG2  VAL  78          3HG2      VAL  78   5.962  -2.714   1.554
  627    H    LYS  79           H        LYS  79   8.819   0.204  -2.542
  628    HA   LYS  79           HA       LYS  79  11.180  -1.552  -2.653
  629   1HB   LYS  79           HB2      LYS  79  10.035   0.434  -4.564
  630   2HB   LYS  79           HB3      LYS  79  11.776   0.198  -4.550
  631   1HG   LYS  79           HG2      LYS  79  11.390  -2.232  -4.904
  632   2HG   LYS  79           HG3      LYS  79   9.657  -1.888  -5.077
  633   1HD   LYS  79           HD2      LYS  79  11.839  -0.685  -6.785
  634   2HD   LYS  79           HD3      LYS  79  10.854  -2.075  -7.244
  635   1HE   LYS  79           HE2      LYS  79   8.837  -0.696  -7.079
  636   2HE   LYS  79           HE3      LYS  79   9.825   0.694  -6.630
  637   1HZ   LYS  79           HZ2      LYS  79   9.976  -0.772  -9.208
  638   2HZ   LYS  79           HZ1      LYS  79   9.251   0.738  -8.972
  639   3HZ   LYS  79           HZ3      LYS  79  10.923   0.561  -8.778
  640    HA   PRO  80           HA       PRO  80  12.472   1.565   0.466
  641   1HB   PRO  80           HB2      PRO  80  14.960   0.215   0.627
  642   2HB   PRO  80           HB3      PRO  80  13.619   0.136   1.770
  643   1HG   PRO  80           HG2      PRO  80  14.381  -1.747  -0.379
  644   2HG   PRO  80           HG3      PRO  80  13.517  -2.055   1.136
  645   1HD   PRO  80           HD2      PRO  80  12.274  -2.055  -1.257
  646   2HD   PRO  80           HD3      PRO  80  11.469  -1.505   0.228
  647    H    ARG  81           H        ARG  81  12.798   3.371  -0.717
  648    HA   ARG  81           HA       ARG  81  14.602   3.600  -2.876
  649   1HB   ARG  81           HB2      ARG  81  12.733   5.272  -1.462
  650   2HB   ARG  81           HB3      ARG  81  14.227   6.145  -1.746
  651   1HG   ARG  81           HG2      ARG  81  14.058   5.824  -4.099
  652   2HG   ARG  81           HG3      ARG  81  12.704   4.709  -3.900
  653   1HD   ARG  81           HD2      ARG  81  11.320   6.491  -3.032
  654   2HD   ARG  81           HD3      ARG  81  12.675   7.620  -3.115
  655    HE   ARG  81           HE       ARG  81  12.052   6.424  -5.645
  656   1HH1  ARG  81          1HH1      ARG  81  11.222   8.986  -3.434
  657   2HH1  ARG  81          2HH1      ARG  81  10.568  10.012  -4.666
  658   1HH2  ARG  81          1HH2      ARG  81  11.193   7.768  -7.273
  659   2HH2  ARG  81          2HH2      ARG  81  10.551   9.319  -6.848
  660    H    LYS  82           H        LYS  82  14.859   4.102   0.570
  661    HA   LYS  82           HA       LYS  82  17.713   4.759   0.242
  662   1HB   LYS  82           HB2      LYS  82  15.988   5.540   2.594
  663   2HB   LYS  82           HB3      LYS  82  17.611   6.103   2.221
  664   1HG   LYS  82           HG2      LYS  82  16.748   7.249   0.233
  665   2HG   LYS  82           HG3      LYS  82  15.119   6.704   0.641
  666   1HD   LYS  82           HD2      LYS  82  15.276   7.913   2.782
  667   2HD   LYS  82           HD3      LYS  82  16.871   8.504   2.309
  668   1HE   LYS  82           HE2      LYS  82  15.875   9.616   0.365
  669   2HE   LYS  82           HE3      LYS  82  14.283   9.038   0.852
  670   1HZ   LYS  82           HZ1      LYS  82  16.014  10.853   2.444
  671   2HZ   LYS  82           HZ3      LYS  82  14.661  11.326   1.544
  672   3HZ   LYS  82           HZ2      LYS  82  14.472  10.316   2.888
  673    H    ARG  83           H        ARG  83  18.739   4.354   2.643
  674    HA   ARG  83           HA       ARG  83  17.929   1.639   3.443
  675   1HB   ARG  83           HB2      ARG  83  20.769   2.639   3.185
  676   2HB   ARG  83           HB3      ARG  83  20.276   1.026   3.679
  677   1HG   ARG  83           HG2      ARG  83  19.460   0.510   1.518
  678   2HG   ARG  83           HG3      ARG  83  19.591   2.192   0.996
  679   1HD   ARG  83           HD2      ARG  83  22.028   2.064   1.238
  680   2HD   ARG  83           HD3      ARG  83  21.884   0.373   1.720
  681    HE   ARG  83           HE       ARG  83  20.618   0.623  -0.734
  682   1HH1  ARG  83          1HH1      ARG  83  23.827   1.012   0.567
  683   2HH1  ARG  83          2HH1      ARG  83  24.619   0.590  -0.916
  684   1HH2  ARG  83          1HH2      ARG  83  21.650   0.067  -2.689
  685   2HH2  ARG  83          2HH2      ARG  83  23.381   0.053  -2.765
  686    H    GLY  84           H        GLY  84  17.425   1.520   5.522
  687   1HA   GLY  84           HA3      GLY  84  18.133   3.706   7.303
  688   2HA   GLY  84           HA2      GLY  84  18.812   2.141   7.725
  689    H    HIS  85           H        HIS  85  16.134   4.185   7.987
  690    HA   HIS  85           HA       HIS  85  14.616   2.039   9.302
  691   1HB   HIS  85           HB2      HIS  85  14.441   5.034   9.686
  692   2HB   HIS  85           HB3      HIS  85  13.509   3.832  10.572
  693    HD1  HIS  85           HD1      HIS  85  16.751   5.562  10.533
  694    HD2  HIS  85           HD2      HIS  85  15.088   2.224  12.367
  695    HE1  HIS  85           HE1      HIS  85  18.311   4.984  12.419
  696    HE2  HIS  85           HE2      HIS  85  17.240   3.011  13.565
  697    H    HIS  86           H        HIS  86  13.318   1.200   7.761
  698    HA   HIS  86           HA       HIS  86  11.404   3.042   6.485
  699   1HB   HIS  86           HB2      HIS  86  12.573   0.558   5.208
  700   2HB   HIS  86           HB3      HIS  86  11.433   1.677   4.473
  701    HD1  HIS  86           HD1      HIS  86  14.700   2.451   6.258
  702    HD2  HIS  86           HD2      HIS  86  12.887   2.884   2.545
  703    HE1  HIS  86           HE1      HIS  86  16.309   3.803   4.877
  704    HE2  HIS  86           HE2      HIS  86  15.151   4.126   2.664
  705    H    THR  87           H        THR  87   9.280   2.209   6.176
  706    HA   THR  87           HA       THR  87   8.640  -0.451   7.094
  707    HB   THR  87           HB       THR  87   7.613   1.918   8.663
  708    HG1  THR  87           HG1      THR  87   9.315  -0.235   9.444
  709   1HG2  THR  87          2HG2      THR  87   5.948   0.121   8.350
  710   2HG2  THR  87          1HG2      THR  87   7.094  -1.036   9.028
  711   3HG2  THR  87          3HG2      THR  87   6.464   0.271  10.031
  712    H    LEU  88           H        LEU  88   6.572  -1.131   6.544
  713    HA   LEU  88           HA       LEU  88   5.204   0.578   4.600
  714   1HB   LEU  88           HB2      LEU  88   5.883  -1.718   3.940
  715   2HB   LEU  88           HB3      LEU  88   4.821  -2.351   5.179
  716    HG   LEU  88           HG       LEU  88   2.894  -1.266   4.006
  717   1HD1  LEU  88          3HD1      LEU  88   4.985  -0.762   1.903
  718   2HD1  LEU  88          2HD1      LEU  88   3.250  -0.592   1.666
  719   3HD1  LEU  88          1HD1      LEU  88   4.091   0.454   2.810
  720   1HD2  LEU  88          2HD2      LEU  88   4.522  -3.280   2.463
  721   2HD2  LEU  88          1HD2      LEU  88   3.319  -3.622   3.705
  722   3HD2  LEU  88          3HD2      LEU  88   2.823  -2.913   2.168
  723    H    GLU  89           H        GLU  89   4.159   1.913   6.150
  724    HA   GLU  89           HA       GLU  89   2.483   0.861   8.171
  725   1HB   GLU  89           HB2      GLU  89   2.650   3.579   6.879
  726   2HB   GLU  89           HB3      GLU  89   1.561   3.213   8.211
  727   1HG   GLU  89           HG2      GLU  89   3.446   2.621   9.610
  728   2HG   GLU  89           HG3      GLU  89   4.556   2.950   8.280
  729    H    LEU  90           H        LEU  90   0.950  -0.552   7.462
  730    HA   LEU  90           HA       LEU  90  -0.975   0.484   5.487
  731   1HB   LEU  90           HB2      LEU  90  -0.132  -2.308   6.169
  732   2HB   LEU  90           HB3      LEU  90  -1.718  -2.017   5.493
  733    HG   LEU  90           HG       LEU  90   0.877  -1.216   4.175
  734   1HD1  LEU  90          3HD1      LEU  90  -0.965  -3.538   3.620
  735   2HD1  LEU  90          2HD1      LEU  90   0.408  -3.058   2.623
  736   3HD1  LEU  90          1HD1      LEU  90   0.672  -3.635   4.269
  737   1HD2  LEU  90          3HD2      LEU  90  -1.994  -1.139   3.261
  738   2HD2  LEU  90          2HD2      LEU  90  -0.907   0.231   3.499
  739   3HD2  LEU  90          1HD2      LEU  90  -0.605  -0.920   2.197
  740    H    VAL  91           H        VAL  91  -3.220   0.192   5.911
  741    HA   VAL  91           HA       VAL  91  -4.007  -0.613   8.580
  742    HB   VAL  91           HB       VAL  91  -3.337   1.642   9.043
  743   1HG1  VAL  91          3HG1      VAL  91  -5.059   2.457   6.701
  744   2HG1  VAL  91          2HG1      VAL  91  -4.265   3.569   7.819
  745   3HG1  VAL  91          1HG1      VAL  91  -3.296   2.518   6.782
  746   1HG2  VAL  91          3HG2      VAL  91  -6.336   1.493   8.770
  747   2HG2  VAL  91          2HG2      VAL  91  -5.378   0.940  10.144
  748   3HG2  VAL  91          1HG2      VAL  91  -5.458   2.659   9.759
  749    H    TYR  92           H        TYR  92  -6.205  -1.028   8.769
  750    HA   TYR  92           HA       TYR  92  -7.696  -1.131   6.253
  751   1HB   TYR  92           HB2      TYR  92  -7.434  -3.162   7.759
  752   2HB   TYR  92           HB3      TYR  92  -8.476  -2.339   8.913
  753    HD1  TYR  92           HD1      TYR  92 -10.518  -3.420   8.957
  754    HD2  TYR  92           HD2      TYR  92  -8.661  -2.693   5.199
  755    HE1  TYR  92           HE1      TYR  92 -12.496  -4.326   7.809
  756    HE2  TYR  92           HE2      TYR  92 -10.632  -3.594   4.041
  757    HH   TYR  92           HH       TYR  92 -13.586  -4.169   5.614
  758    H    THR  93           H        THR  93  -8.043   1.185   6.267
  759    HA   THR  93           HA       THR  93 -10.073   2.076   8.216
  760    HB   THR  93           HB       THR  93  -8.028   3.316   8.491
  761    HG1  THR  93           HG1      THR  93 -10.228   4.409   8.317
  762   1HG2  THR  93          3HG2      THR  93  -8.149   3.406   5.525
  763   2HG2  THR  93          2HG2      THR  93  -7.493   4.823   6.352
  764   3HG2  THR  93          1HG2      THR  93  -6.758   3.236   6.598
  765    H    ARG  94           H        ARG  94 -11.618   3.656   7.477
  766    HA   ARG  94           HA       ARG  94 -12.403   3.226   4.689
  767   1HB   ARG  94           HB2      ARG  94 -13.845   3.841   7.198
  768   2HB   ARG  94           HB3      ARG  94 -14.470   4.611   5.748
  769   1HG   ARG  94           HG2      ARG  94 -14.644   2.402   4.681
  770   2HG   ARG  94           HG3      ARG  94 -14.086   1.659   6.181
  771   1HD   ARG  94           HD2      ARG  94 -16.471   1.518   6.126
  772   2HD   ARG  94           HD3      ARG  94 -16.021   2.709   7.343
  773    HE   ARG  94           HE       ARG  94 -16.422   4.264   5.214
  774   1HH1  ARG  94          1HH1      ARG  94 -18.329   1.664   6.535
  775   2HH1  ARG  94          2HH1      ARG  94 -19.836   2.325   5.997
  776   1HH2  ARG  94          1HH2      ARG  94 -18.402   5.141   4.503
  777   2HH2  ARG  94          2HH2      ARG  94 -19.879   4.301   4.842
  778    HA   PRO  95           HA       PRO  95 -10.261   7.206   3.924
  779   1HB   PRO  95           HB2      PRO  95 -11.835   6.628   1.439
  780   2HB   PRO  95           HB3      PRO  95 -10.192   7.254   1.604
  781   1HG   PRO  95           HG2      PRO  95 -10.639   4.678   1.020
  782   2HG   PRO  95           HG3      PRO  95  -9.303   5.169   2.073
  783   1HD   PRO  95           HD2      PRO  95 -11.831   3.809   2.751
  784   2HD   PRO  95           HD3      PRO  95 -10.282   3.814   3.610
  785    H    PHE  96           H        PHE  96 -13.659   6.420   3.332
  786    HA   PHE  96           HA       PHE  96 -14.553   9.068   2.973
  787   1HB   PHE  96           HB2      PHE  96 -16.018   6.556   3.784
  788   2HB   PHE  96           HB3      PHE  96 -16.785   8.055   3.299
  789    HD1  PHE  96           HD1      PHE  96 -14.622   5.312   2.128
  790    HD2  PHE  96           HD2      PHE  96 -17.077   8.610   1.028
  791    HE1  PHE  96           HE1      PHE  96 -14.512   4.603  -0.225
  792    HE2  PHE  96           HE2      PHE  96 -16.975   7.905  -1.328
  793    HZ   PHE  96           HZ       PHE  96 -15.692   5.899  -1.957
  794    H    GLU  97           H        GLU  97 -15.141   6.860   5.725
  795    HA   GLU  97           HA       GLU  97 -15.989   9.023   7.410
  796   1HB   GLU  97           HB2      GLU  97 -15.395   6.134   8.056
  797   2HB   GLU  97           HB3      GLU  97 -16.136   7.279   9.165
  798   1HG   GLU  97           HG2      GLU  97 -18.000   7.549   7.550
  799   2HG   GLU  97           HG3      GLU  97 -17.274   6.279   6.565
  800    H    GLY  98           H        GLY  98 -13.005   8.338   6.387
  801   1HA   GLY  98           HA3      GLY  98 -11.795   9.583   8.718
  802   2HA   GLY  98           HA2      GLY  98 -11.004   9.276   7.179
  803    H    ILE  99           H        ILE  99  -9.705   8.780   9.535
  804    HA   ILE  99           HA       ILE  99  -9.597   5.846   9.507
  805    HB   ILE  99           HB       ILE  99  -7.309   7.605  10.306
  806   1HG1  ILE  99          2HG1      ILE  99  -7.876   6.574   7.520
  807   2HG1  ILE  99          3HG1      ILE  99  -8.126   8.242   8.023
  808   1HG2  ILE  99          1HG2      ILE  99  -7.755   4.742   9.655
  809   2HG2  ILE  99          3HG2      ILE  99  -6.198   5.452   9.224
  810   3HG2  ILE  99          2HG2      ILE  99  -6.743   5.472  10.903
  811   1HD1  ILE  99          3HD1      ILE  99  -5.724   8.426   8.514
  812   2HD1  ILE  99          2HD1      ILE  99  -5.497   6.771   7.948
  813   3HD1  ILE  99          1HD1      ILE  99  -6.037   8.020   6.826
  814    H    LYS 100           H        LYS 100 -10.181   4.855  11.270
  815    HA   LYS 100           HA       LYS 100 -10.121   6.287  13.836
  816   1HB   LYS 100           HB2      LYS 100 -11.641   3.743  13.421
  817   2HB   LYS 100           HB3      LYS 100 -11.996   5.090  14.495
  818   1HG   LYS 100           HG2      LYS 100 -12.668   6.452  12.597
  819   2HG   LYS 100           HG3      LYS 100 -12.295   5.118  11.502
  820   1HD   LYS 100           HD2      LYS 100 -14.260   4.146  11.888
  821   2HD   LYS 100           HD3      LYS 100 -14.053   4.275  13.637
  822   1HE   LYS 100           HE2      LYS 100 -16.042   5.480  12.860
  823   2HE   LYS 100           HE3      LYS 100 -14.853   6.559  13.591
  824   1HZ   LYS 100           HZ2      LYS 100 -15.244   6.148  10.676
  825   2HZ   LYS 100           HZ1      LYS 100 -15.776   7.489  11.559
  826   3HZ   LYS 100           HZ3      LYS 100 -14.119   7.194  11.382
  827    HA   PRO 101           HA       PRO 101  -7.128   3.534  15.544
  828   1HB   PRO 101           HB2      PRO 101  -8.767   3.060  17.936
  829   2HB   PRO 101           HB3      PRO 101  -7.216   3.885  17.789
  830   1HG   PRO 101           HG2      PRO 101  -9.493   5.214  18.307
  831   2HG   PRO 101           HG3      PRO 101  -8.196   5.910  17.325
  832   1HD   PRO 101           HD2      PRO 101 -10.770   4.665  16.447
  833   2HD   PRO 101           HD3      PRO 101  -9.961   6.123  15.837
  834    H    GLU 102           H        GLU 102 -10.456   2.414  15.916
  835    HA   GLU 102           HA       GLU 102  -9.992  -0.260  16.485
  836   1HB   GLU 102           HB2      GLU 102 -12.249  -0.663  15.537
  837   2HB   GLU 102           HB3      GLU 102 -12.192   0.670  16.684
  838   1HG   GLU 102           HG2      GLU 102 -12.119   2.254  14.850
  839   2HG   GLU 102           HG3      GLU 102 -12.154   0.926  13.695
  840    H    ASN 103           H        ASN 103  -9.393   1.426  13.585
  841    HA   ASN 103           HA       ASN 103  -9.779  -0.583  11.669
  842   1HB   ASN 103           HB2      ASN 103  -7.752   1.659  11.691
  843   2HB   ASN 103           HB3      ASN 103  -8.187   0.702  10.279
  844   1HD2  ASN 103          1HD2      ASN 103 -11.022   0.627  11.266
  845   2HD2  ASN 103          2HD2      ASN 103 -11.668   2.169  10.831
  846    H    GLU 104           H        GLU 104  -8.490  -2.183  10.839
  847    HA   GLU 104           HA       GLU 104  -6.660  -3.446  12.532
  848   1HB   GLU 104           HB2      GLU 104  -8.062  -4.162  10.312
  849   2HB   GLU 104           HB3      GLU 104  -6.438  -4.030   9.650
  850   1HG   GLU 104           HG2      GLU 104  -5.625  -5.572  11.343
  851   2HG   GLU 104           HG3      GLU 104  -7.250  -5.714  12.004
  852    H    ARG 105           H        ARG 105  -4.399  -4.103  11.625
  853    HA   ARG 105           HA       ARG 105  -3.040  -1.759  10.487
  854   1HB   ARG 105           HB2      ARG 105  -2.797  -1.630  12.921
  855   2HB   ARG 105           HB3      ARG 105  -2.182  -3.271  12.963
  856   1HG   ARG 105           HG2      ARG 105  -0.201  -2.162  13.060
  857   2HG   ARG 105           HG3      ARG 105  -0.394  -2.242  11.303
  858   1HD   ARG 105           HD2      ARG 105   0.209   0.004  11.939
  859   2HD   ARG 105           HD3      ARG 105  -1.450  -0.020  11.334
  860    HE   ARG 105           HE       ARG 105  -1.548  -0.341  14.097
  861   1HH1  ARG 105          1HH1      ARG 105  -0.610   2.082  11.775
  862   2HH1  ARG 105          2HH1      ARG 105  -0.985   3.413  12.818
  863   1HH2  ARG 105          1HH2      ARG 105  -2.046   1.406  15.477
  864   2HH2  ARG 105          2HH2      ARG 105  -1.801   3.028  14.923
  865    H    TYR 106           H        TYR 106  -0.871  -2.232   9.701
  866    HA   TYR 106           HA       TYR 106   0.167  -4.855   9.530
  867   1HB   TYR 106           HB2      TYR 106  -1.758  -4.960   7.877
  868   2HB   TYR 106           HB3      TYR 106  -0.860  -3.804   6.892
  869    HD1  TYR 106           HD1      TYR 106  -1.397  -7.214   7.677
  870    HD2  TYR 106           HD2      TYR 106   1.543  -4.521   6.201
  871    HE1  TYR 106           HE1      TYR 106  -0.179  -9.097   6.690
  872    HE2  TYR 106           HE2      TYR 106   2.774  -6.400   5.210
  873    HH   TYR 106           HH       TYR 106   2.996  -8.831   5.524
  874    H    THR 107           H        THR 107   1.743  -3.391  10.459
  875    HA   THR 107           HA       THR 107   3.056  -1.576   8.591
  876    HB   THR 107           HB       THR 107   4.373  -1.710  11.131
  877    HG1  THR 107           HG1      THR 107   2.702  -1.357  12.513
  878   1HG2  THR 107          3HG2      THR 107   4.273   0.211   9.535
  879   2HG2  THR 107          2HG2      THR 107   2.592   0.451  10.007
  880   3HG2  THR 107          1HG2      THR 107   3.879   0.641  11.198
  881    H    LEU 108           H        LEU 108   4.176  -2.957   7.199
  882    HA   LEU 108           HA       LEU 108   5.862  -5.039   8.234
  883   1HB   LEU 108           HB2      LEU 108   4.987  -5.443   6.079
  884   2HB   LEU 108           HB3      LEU 108   5.473  -3.869   5.495
  885    HG   LEU 108           HG       LEU 108   7.809  -4.535   5.501
  886   1HD1  LEU 108          3HD1      LEU 108   6.807  -7.186   6.531
  887   2HD1  LEU 108          2HD1      LEU 108   8.457  -6.841   6.015
  888   3HD1  LEU 108          1HD1      LEU 108   7.784  -6.022   7.425
  889   1HD2  LEU 108          1HD2      LEU 108   6.481  -4.997   3.511
  890   2HD2  LEU 108          3HD2      LEU 108   7.729  -6.221   3.745
  891   3HD2  LEU 108          2HD2      LEU 108   6.051  -6.580   4.157
  892    H    HIS 109           H        HIS 109   7.238  -4.021   9.670
  893    HA   HIS 109           HA       HIS 109   8.850  -1.788   8.935
  894   1HB   HIS 109           HB2      HIS 109   8.819  -3.668  11.257
  895   2HB   HIS 109           HB3      HIS 109  10.138  -2.527  11.050
  896    HD1  HIS 109           HD1      HIS 109   9.690  -0.109  11.659
  897    HD2  HIS 109           HD2      HIS 109   6.277  -2.480  11.766
  898    HE1  HIS 109           HE1      HIS 109   7.913   1.317  12.723
  899    HE2  HIS 109           HE2      HIS 109   5.882  -0.167  12.855
  900    H    LEU 110           H        LEU 110  10.997  -1.713   8.420
  901    HA   LEU 110           HA       LEU 110  12.438  -4.177   7.876
  902   1HB   LEU 110           HB2      LEU 110  11.923  -2.104   5.742
  903   2HB   LEU 110           HB3      LEU 110  12.944  -3.516   5.567
  904    HG   LEU 110           HG       LEU 110   9.964  -3.617   6.067
  905   1HD1  LEU 110          1HD1      LEU 110  11.513  -3.917   3.498
  906   2HD1  LEU 110          3HD1      LEU 110   9.792  -4.250   3.699
  907   3HD1  LEU 110          2HD1      LEU 110  10.403  -2.609   3.909
  908   1HD2  LEU 110          3HD2      LEU 110  11.373  -5.576   6.792
  909   2HD2  LEU 110          2HD2      LEU 110  10.108  -5.935   5.618
  910   3HD2  LEU 110          1HD2      LEU 110  11.785  -5.802   5.094
  911    H    ASN 111           H        ASN 111  14.316  -3.841   8.892
  912    HA   ASN 111           HA       ASN 111  15.424  -1.182   9.159
  913   1HB   ASN 111           HB2      ASN 111  15.526  -2.882  11.003
  914   2HB   ASN 111           HB3      ASN 111  16.622  -3.832  10.008
  915   1HD2  ASN 111          1HD2      ASN 111  18.730  -3.184   9.759
  916   2HD2  ASN 111          2HD2      ASN 111  19.439  -1.915  10.692
  917    H    VAL 112           H        VAL 112  15.271  -1.455   6.627
  918    HA   VAL 112           HA       VAL 112  16.839  -2.820   4.963
  919    HB   VAL 112           HB       VAL 112  16.953   0.148   4.627
  920   1HG1  VAL 112          3HG1      VAL 112  17.859  -1.352   2.909
  921   2HG1  VAL 112          2HG1      VAL 112  16.272  -2.107   2.750
  922   3HG1  VAL 112          1HG1      VAL 112  16.490  -0.413   2.312
  923   1HG2  VAL 112          3HG2      VAL 112  14.447  -1.516   4.557
  924   2HG2  VAL 112          2HG2      VAL 112  14.757  -0.057   5.498
  925   3HG2  VAL 112          1HG2      VAL 112  14.597   0.041   3.745
  926    H    LYS 113           H        LYS 113  18.926  -3.270   4.706
  927    HA   LYS 113           HA       LYS 113  20.914  -2.267   6.439
  928   1HB   LYS 113           HB2      LYS 113  21.158  -3.817   3.856
  929   2HB   LYS 113           HB3      LYS 113  22.492  -3.506   4.958
  930   1HG   LYS 113           HG2      LYS 113  19.990  -4.996   5.708
  931   2HG   LYS 113           HG3      LYS 113  21.495  -5.759   5.193
  932   1HD   LYS 113           HD2      LYS 113  22.662  -4.700   7.076
  933   2HD   LYS 113           HD3      LYS 113  21.140  -3.973   7.599
  934   1HE   LYS 113           HE2      LYS 113  21.626  -5.968   8.896
  935   2HE   LYS 113           HE3      LYS 113  20.185  -6.203   7.908
  936   1HZ   LYS 113           HZ1      LYS 113  22.907  -7.190   7.246
  937   2HZ   LYS 113           HZ3      LYS 113  21.635  -8.134   7.842
  938   3HZ   LYS 113           HZ2      LYS 113  21.517  -7.425   6.311

  No H/Q in entry =         938
  Start of MODEL   35
    1    H1   GLY  -2           HT2      GLY  -2  -8.917 -14.547  21.660
    2    H2   GLY  -2           HT1      GLY  -2  -8.550 -16.187  21.854
    3    H3   GLY  -2           HT3      GLY  -2  -8.692 -15.531  20.301
    4   1HA   GLY  -2           HA2      GLY  -2 -10.656 -16.813  20.849
    5   2HA   GLY  -2           HA3      GLY  -2 -11.038 -15.110  20.644
    6    H    SER  -1           H        SER  -1 -10.612 -13.874  22.874
    7    HA   SER  -1           HA       SER  -1 -12.296 -15.280  24.821
    8   1HB   SER  -1           HB2      SER  -1  -9.753 -13.786  25.510
    9   2HB   SER  -1           HB3      SER  -1 -10.894 -14.449  26.679
   10    HG   SER  -1           HG       SER  -1 -10.234 -16.436  26.230
   11    H    HIS   0           H        HIS   0 -11.491 -12.483  23.093
   12    HA   HIS   0           HA       HIS   0 -13.531 -10.965  24.569
   13   1HB   HIS   0           HB2      HIS   0 -10.917  -9.854  23.522
   14   2HB   HIS   0           HB3      HIS   0 -12.215  -8.901  24.235
   15    HD1  HIS   0           HD1      HIS   0  -9.265 -10.909  25.095
   16    HD2  HIS   0           HD2      HIS   0 -12.593  -9.376  27.055
   17    HE1  HIS   0           HE1      HIS   0  -8.725 -11.050  27.546
   18    HE2  HIS   0           HE2      HIS   0 -10.786 -10.194  28.716
   19    H    MET   1           H        MET   1 -15.044 -10.033  23.329
   20    HA   MET   1           HA       MET   1 -16.274  -9.494  21.497
   21   1HB   MET   1           HB2      MET   1 -13.540  -8.891  20.357
   22   2HB   MET   1           HB3      MET   1 -15.061  -8.417  19.612
   23   1HG   MET   1           HG2      MET   1 -14.051  -7.524  22.303
   24   2HG   MET   1           HG3      MET   1 -14.056  -6.569  20.821
   25   1HE   MET   1           HE2      MET   1 -16.269  -5.738  19.605
   26   2HE   MET   1           HE1      MET   1 -16.864  -7.397  19.547
   27   3HE   MET   1           HE3      MET   1 -17.896  -6.112  20.174
   28    H    ILE   2           H        ILE   2 -15.953  -9.798  18.801
   29    HA   ILE   2           HA       ILE   2 -16.534 -12.516  18.414
   30    HB   ILE   2           HB       ILE   2 -15.695 -10.502  16.325
   31   1HG1  ILE   2          2HG1      ILE   2 -17.603  -9.702  17.637
   32   2HG1  ILE   2          3HG1      ILE   2 -18.107 -10.128  16.005
   33   1HG2  ILE   2          2HG2      ILE   2 -17.211 -13.097  16.081
   34   2HG2  ILE   2          1HG2      ILE   2 -16.961 -11.937  14.776
   35   3HG2  ILE   2          3HG2      ILE   2 -15.581 -12.772  15.491
   36   1HD1  ILE   2          1HD1      ILE   2 -18.995 -12.245  16.833
   37   2HD1  ILE   2          3HD1      ILE   2 -18.500 -11.809  18.468
   38   3HD1  ILE   2          2HD1      ILE   2 -19.734 -10.861  17.640
   39    H    ALA   3           H        ALA   3 -13.732 -10.694  17.150
   40    HA   ALA   3           HA       ALA   3 -11.867 -12.702  17.878
   41   1HB   ALA   3           HB2      ALA   3 -12.578 -12.595  14.949
   42   2HB   ALA   3           HB1      ALA   3 -11.259 -13.523  15.664
   43   3HB   ALA   3           HB3      ALA   3 -12.932 -13.923  16.055
   44    HA   PRO   4           HA       PRO   4  -9.655  -9.316  15.213
   45   1HB   PRO   4           HB2      PRO   4 -11.165  -7.232  14.341
   46   2HB   PRO   4           HB3      PRO   4 -10.883  -8.687  13.380
   47   1HG   PRO   4           HG2      PRO   4 -13.251  -7.953  15.060
   48   2HG   PRO   4           HG3      PRO   4 -13.210  -8.676  13.441
   49   1HD   PRO   4           HD2      PRO   4 -13.645 -10.142  15.666
   50   2HD   PRO   4           HD3      PRO   4 -12.778 -10.791  14.260
   51    H    LEU   5           H        LEU   5  -8.757  -8.785  17.178
   52    HA   LEU   5           HA       LEU   5  -9.248  -6.186  18.177
   53   1HB   LEU   5           HB2      LEU   5 -11.170  -7.278  19.226
   54   2HB   LEU   5           HB3      LEU   5 -10.111  -8.474  19.947
   55    HG   LEU   5           HG       LEU   5  -9.009  -6.635  21.235
   56   1HD1  LEU   5          2HD1      LEU   5 -11.286  -4.990  20.140
   57   2HD1  LEU   5          1HD1      LEU   5 -10.165  -4.487  21.404
   58   3HD1  LEU   5          3HD1      LEU   5  -9.576  -4.777  19.768
   59   1HD2  LEU   5          2HD2      LEU   5 -10.732  -8.036  22.242
   60   2HD2  LEU   5          1HD2      LEU   5 -10.820  -6.383  22.849
   61   3HD2  LEU   5          3HD2      LEU   5 -11.980  -6.942  21.644
   62    H    SER   6           H        SER   6  -7.046  -5.968  17.876
   63    HA   SER   6           HA       SER   6  -4.840  -5.999  18.416
   64   1HB   SER   6           HB2      SER   6  -5.683  -5.380  20.645
   65   2HB   SER   6           HB3      SER   6  -5.846  -7.086  21.057
   66    HG   SER   6           HG       SER   6  -3.358  -6.391  20.131
   67    H    VAL   7           H        VAL   7  -6.396  -8.565  17.558
   68    HA   VAL   7           HA       VAL   7  -4.101 -10.367  17.953
   69    HB   VAL   7           HB       VAL   7  -7.005 -11.208  17.968
   70   1HG1  VAL   7          1HG1      VAL   7  -4.484 -12.836  18.280
   71   2HG1  VAL   7          3HG1      VAL   7  -6.127 -13.442  18.481
   72   3HG1  VAL   7          2HG1      VAL   7  -5.586 -12.870  16.903
   73   1HG2  VAL   7          1HG2      VAL   7  -6.350 -10.110  20.046
   74   2HG2  VAL   7          3HG2      VAL   7  -6.603 -11.836  20.297
   75   3HG2  VAL   7          2HG2      VAL   7  -4.965 -11.192  20.191
   76    H    LYS   8           H        LYS   8  -3.228 -10.000  15.948
   77    HA   LYS   8           HA       LYS   8  -4.112 -11.510  13.793
   78   1HB   LYS   8           HB2      LYS   8  -5.892  -9.773  13.644
   79   2HB   LYS   8           HB3      LYS   8  -4.647  -8.550  13.423
   80   1HG   LYS   8           HG2      LYS   8  -3.923  -9.696  11.367
   81   2HG   LYS   8           HG3      LYS   8  -5.233 -10.859  11.580
   82   1HD   LYS   8           HD2      LYS   8  -6.859  -9.015  11.469
   83   2HD   LYS   8           HD3      LYS   8  -5.531  -7.884  11.195
   84   1HE   LYS   8           HE2      LYS   8  -6.618  -8.491   9.096
   85   2HE   LYS   8           HE3      LYS   8  -4.946  -9.052   9.136
   86   1HZ   LYS   8           HZ3      LYS   8  -7.341 -10.724   9.675
   87   2HZ   LYS   8           HZ2      LYS   8  -6.428 -10.740   8.251
   88   3HZ   LYS   8           HZ1      LYS   8  -5.736 -11.261   9.704
   89    H    ASP   9           H        ASP   9  -2.656 -11.399  12.025
   90    HA   ASP   9           HA       ASP   9  -0.048 -10.432  12.799
   91   1HB   ASP   9           HB2      ASP   9  -0.401 -12.660  11.700
   92   2HB   ASP   9           HB3      ASP   9  -0.849 -11.803  10.228
   93    H    ASN  10           H        ASN  10   0.488  -8.381  12.447
   94    HA   ASN  10           HA       ASN  10  -0.233  -7.167   9.887
   95   1HB   ASN  10           HB2      ASN  10  -0.332  -4.988  11.322
   96   2HB   ASN  10           HB3      ASN  10  -1.729  -6.046  11.232
   97   1HD2  ASN  10          1HD2      ASN  10  -0.940  -4.099  13.237
   98   2HD2  ASN  10          2HD2      ASN  10  -0.845  -4.964  14.723
   99    H    ASP  11           H        ASP  11   1.332  -5.463  12.438
  100    HA   ASP  11           HA       ASP  11   3.417  -4.491  10.948
  101   1HB   ASP  11           HB2      ASP  11   4.517  -4.253  13.320
  102   2HB   ASP  11           HB3      ASP  11   3.084  -3.320  12.902
  103    H    LYS  12           H        LYS  12   4.703  -5.766   9.823
  104    HA   LYS  12           HA       LYS  12   5.873  -8.150  11.012
  105   1HB   LYS  12           HB2      LYS  12   5.603  -7.062   8.265
  106   2HB   LYS  12           HB3      LYS  12   7.017  -8.056   8.585
  107   1HG   LYS  12           HG2      LYS  12   4.447  -9.142   9.521
  108   2HG   LYS  12           HG3      LYS  12   4.652  -9.031   7.772
  109   1HD   LYS  12           HD2      LYS  12   5.387 -11.204   8.555
  110   2HD   LYS  12           HD3      LYS  12   6.766 -10.280   7.961
  111   1HE   LYS  12           HE2      LYS  12   7.310 -11.446  10.035
  112   2HE   LYS  12           HE3      LYS  12   7.378  -9.697  10.248
  113   1HZ   LYS  12           HZ2      LYS  12   5.184  -9.775  11.261
  114   2HZ   LYS  12           HZ1      LYS  12   5.124 -11.453  11.061
  115   3HZ   LYS  12           HZ3      LYS  12   6.267 -10.765  12.102
  116    H    TRP  13           H        TRP  13   7.278  -7.325  12.543
  117    HA   TRP  13           HA       TRP  13   9.227  -5.336  11.964
  118   1HB   TRP  13           HB2      TRP  13   9.401  -7.277  14.245
  119   2HB   TRP  13           HB3      TRP  13   9.886  -5.588  14.182
  120    HD1  TRP  13           HD1      TRP  13   6.761  -7.777  14.545
  121    HE1  TRP  13           HE1      TRP  13   4.844  -6.345  15.486
  122    HE3  TRP  13           HE3      TRP  13   9.045  -3.201  14.461
  123    HZ2  TRP  13           HZ2      TRP  13   4.345  -3.628  16.100
  124    HZ3  TRP  13           HZ3      TRP  13   7.784  -1.242  15.250
  125    HH2  TRP  13           HH2      TRP  13   5.490  -1.454  16.057
  126    H    VAL  14           H        VAL  14  10.605  -5.856  10.313
  127    HA   VAL  14           HA       VAL  14  12.573  -7.919  10.886
  128    HB   VAL  14           HB       VAL  14  10.734  -9.147   9.762
  129   1HG1  VAL  14          1HG1      VAL  14   9.907  -7.390   8.315
  130   2HG1  VAL  14          3HG1      VAL  14  11.421  -7.401   7.410
  131   3HG1  VAL  14          2HG1      VAL  14  10.355  -8.806   7.366
  132   1HG2  VAL  14          1HG2      VAL  14  13.157  -9.803   9.615
  133   2HG2  VAL  14          3HG2      VAL  14  12.104 -10.442   8.353
  134   3HG2  VAL  14          2HG2      VAL  14  13.162  -9.076   8.007
  135    H    ASP  15           H        ASP  15  14.199  -8.060   9.123
  136    HA   ASP  15           HA       ASP  15  15.039  -5.384   8.400
  137   1HB   ASP  15           HB2      ASP  15  16.288  -8.088   8.518
  138   2HB   ASP  15           HB3      ASP  15  17.041  -6.864   7.494
  139    H    THR  16           H        THR  16  16.437  -5.624   6.097
  140    HA   THR  16           HA       THR  16  15.163  -7.044   4.017
  141    HB   THR  16           HB       THR  16  13.396  -5.287   4.699
  142    HG1  THR  16           HG1      THR  16  13.925  -6.471   2.474
  143   1HG2  THR  16          3HG2      THR  16  14.910  -3.368   4.810
  144   2HG2  THR  16          2HG2      THR  16  15.258  -3.543   3.090
  145   3HG2  THR  16          1HG2      THR  16  13.634  -3.111   3.621
  146    H    HIS  17           H        HIS  17  15.488  -5.578   1.839
  147    HA   HIS  17           HA       HIS  17  18.295  -4.684   1.883
  148   1HB   HIS  17           HB2      HIS  17  16.785  -6.437  -0.002
  149   2HB   HIS  17           HB3      HIS  17  18.042  -5.402  -0.669
  150    HD1  HIS  17           HD1      HIS  17  17.511  -8.556   1.117
  151    HD2  HIS  17           HD2      HIS  17  20.674  -5.956   0.413
  152    HE1  HIS  17           HE1      HIS  17  19.588  -9.857   1.679
  153    HE2  HIS  17           HE2      HIS  17  21.494  -8.294   1.156
  154    H    VAL  18           H        VAL  18  18.253  -3.729  -0.832
  155    HA   VAL  18           HA       VAL  18  16.642  -1.313  -0.402
  156    HB   VAL  18           HB       VAL  18  18.904  -1.695  -2.364
  157   1HG1  VAL  18          3HG1      VAL  18  17.424   0.760  -1.421
  158   2HG1  VAL  18          2HG1      VAL  18  18.877   0.783  -2.421
  159   3HG1  VAL  18          1HG1      VAL  18  17.392   0.059  -3.039
  160   1HG2  VAL  18          2HG2      VAL  18  19.708  -1.919  -0.073
  161   2HG2  VAL  18          1HG2      VAL  18  20.259  -0.402  -0.786
  162   3HG2  VAL  18          3HG2      VAL  18  18.919  -0.403   0.362
  163    H    GLY  19           H        GLY  19  15.037  -0.728  -1.688
  164   1HA   GLY  19           HA3      GLY  19  14.712  -1.237  -4.399
  165   2HA   GLY  19           HA2      GLY  19  13.414  -0.848  -3.289
  166    H    LYS  20           H        LYS  20  14.282  -3.427  -1.786
  167    HA   LYS  20           HA       LYS  20  13.729  -5.588  -3.504
  168   1HB   LYS  20           HB2      LYS  20  14.561  -5.362  -0.921
  169   2HB   LYS  20           HB3      LYS  20  12.909  -5.896  -0.691
  170   1HG   LYS  20           HG2      LYS  20  14.108  -7.869  -0.747
  171   2HG   LYS  20           HG3      LYS  20  13.481  -7.731  -2.394
  172   1HD   LYS  20           HD2      LYS  20  15.549  -7.023  -3.235
  173   2HD   LYS  20           HD3      LYS  20  16.152  -6.641  -1.627
  174   1HE   LYS  20           HE2      LYS  20  16.190  -9.020  -1.069
  175   2HE   LYS  20           HE3      LYS  20  15.558  -9.408  -2.668
  176   1HZ   LYS  20           HZ3      LYS  20  17.561  -8.467  -3.645
  177   2HZ   LYS  20           HZ2      LYS  20  18.169  -8.108  -2.108
  178   3HZ   LYS  20           HZ1      LYS  20  17.946  -9.718  -2.573
  179    H    THR  21           H        THR  21  11.962  -4.886  -4.742
  180    HA   THR  21           HA       THR  21   9.537  -3.924  -3.936
  181    HB   THR  21           HB       THR  21   9.758  -6.003  -6.105
  182    HG1  THR  21           HG1      THR  21  11.433  -4.308  -6.205
  183   1HG2  THR  21          3HG2      THR  21   8.044  -3.535  -5.780
  184   2HG2  THR  21          2HG2      THR  21   8.024  -4.625  -7.168
  185   3HG2  THR  21          1HG2      THR  21   7.509  -5.204  -5.583
  186    H    THR  22           H        THR  22   8.549  -4.692  -2.160
  187    HA   THR  22           HA       THR  22   8.062  -7.570  -1.931
  188    HB   THR  22           HB       THR  22   7.642  -5.330   0.060
  189    HG1  THR  22           HG1      THR  22   9.319  -7.351   0.766
  190   1HG2  THR  22          1HG2      THR  22   5.965  -7.101   0.362
  191   2HG2  THR  22          3HG2      THR  22   7.254  -8.302   0.433
  192   3HG2  THR  22          2HG2      THR  22   7.124  -7.072   1.691
  193    H    GLU  23           H        GLU  23   6.413  -8.085  -3.210
  194    HA   GLU  23           HA       GLU  23   4.078  -6.456  -3.497
  195   1HB   GLU  23           HB2      GLU  23   5.000  -7.826  -5.331
  196   2HB   GLU  23           HB3      GLU  23   4.651  -9.279  -4.405
  197   1HG   GLU  23           HG2      GLU  23   2.308  -8.908  -4.555
  198   2HG   GLU  23           HG3      GLU  23   2.562  -7.303  -5.236
  199    H    ILE  24           H        ILE  24   2.184  -6.640  -2.478
  200    HA   ILE  24           HA       ILE  24   1.697  -8.999  -0.809
  201    HB   ILE  24           HB       ILE  24   1.239  -6.186   0.145
  202   1HG1  ILE  24          2HG1      ILE  24   3.415  -8.131   0.925
  203   2HG1  ILE  24          3HG1      ILE  24   3.646  -6.677  -0.038
  204   1HG2  ILE  24          3HG2      ILE  24  -0.284  -7.898   1.044
  205   2HG2  ILE  24          2HG2      ILE  24   1.109  -8.816   1.614
  206   3HG2  ILE  24          1HG2      ILE  24   0.769  -7.223   2.287
  207   1HD1  ILE  24          3HD1      ILE  24   2.912  -5.323   1.875
  208   2HD1  ILE  24          2HD1      ILE  24   2.774  -6.796   2.836
  209   3HD1  ILE  24          1HD1      ILE  24   4.347  -6.285   2.224
  210    H    HIS  25           H        HIS  25  -0.020  -9.815  -1.854
  211    HA   HIS  25           HA       HIS  25  -2.164  -8.121  -2.794
  212   1HB   HIS  25           HB2      HIS  25  -2.292 -11.118  -2.622
  213   2HB   HIS  25           HB3      HIS  25  -3.075 -10.049  -3.773
  214    HD1  HIS  25           HD1      HIS  25  -0.564 -12.457  -3.758
  215    HD2  HIS  25           HD2      HIS  25  -0.795  -8.611  -5.312
  216    HE1  HIS  25           HE1      HIS  25   1.190 -12.352  -5.555
  217    HE2  HIS  25           HE2      HIS  25   0.938 -10.060  -6.569
  218    H    LEU  26           H        LEU  26  -3.167  -7.201  -1.072
  219    HA   LEU  26           HA       LEU  26  -3.964  -8.882   1.188
  220   1HB   LEU  26           HB2      LEU  26  -4.196  -5.902   0.812
  221   2HB   LEU  26           HB3      LEU  26  -4.553  -6.776   2.287
  222    HG   LEU  26           HG       LEU  26  -1.804  -6.894   1.091
  223   1HD1  LEU  26          2HD1      LEU  26  -2.361  -4.523   1.258
  224   2HD1  LEU  26          1HD1      LEU  26  -2.846  -4.751   2.939
  225   3HD1  LEU  26          3HD1      LEU  26  -1.163  -4.984   2.468
  226   1HD2  LEU  26          2HD2      LEU  26  -2.535  -8.418   2.952
  227   2HD2  LEU  26          1HD2      LEU  26  -1.130  -7.414   3.312
  228   3HD2  LEU  26          3HD2      LEU  26  -2.711  -6.982   3.963
  229    H    LYS  27           H        LYS  27  -6.099  -9.064   1.854
  230    HA   LYS  27           HA       LYS  27  -8.086  -8.323  -0.183
  231   1HB   LYS  27           HB2      LYS  27  -8.280 -10.588   1.800
  232   2HB   LYS  27           HB3      LYS  27  -9.393 -10.238   0.489
  233   1HG   LYS  27           HG2      LYS  27  -7.797 -10.839  -1.152
  234   2HG   LYS  27           HG3      LYS  27  -6.499 -10.917   0.036
  235   1HD   LYS  27           HD2      LYS  27  -7.064 -13.155  -0.359
  236   2HD   LYS  27           HD3      LYS  27  -7.883 -12.759   1.153
  237   1HE   LYS  27           HE2      LYS  27  -9.200 -12.660  -1.555
  238   2HE   LYS  27           HE3      LYS  27  -9.268 -14.053  -0.477
  239   1HZ   LYS  27           HZ2      LYS  27 -10.268 -12.549   1.210
  240   2HZ   LYS  27           HZ1      LYS  27 -10.362 -11.343   0.029
  241   3HZ   LYS  27           HZ3      LYS  27 -11.231 -12.782  -0.161
  242    H    GLY  28           H        GLY  28 -10.284  -7.949   0.676
  243   1HA   GLY  28           HA3      GLY  28 -10.203  -5.929   2.654
  244   2HA   GLY  28           HA2      GLY  28 -10.843  -7.407   3.349
  245    H    ASN  29           H        ASN  29 -11.387  -6.753   0.002
  246    HA   ASN  29           HA       ASN  29 -13.271  -6.383  -1.211
  247   1HB   ASN  29           HB2      ASN  29 -14.239  -8.217   0.075
  248   2HB   ASN  29           HB3      ASN  29 -14.670  -7.107   1.371
  249   1HD2  ASN  29          1HD2      ASN  29 -16.842  -7.500   1.261
  250   2HD2  ASN  29          2HD2      ASN  29 -17.827  -6.998  -0.066
  251    HA   PRO  30           HA       PRO  30 -13.463  -1.982  -0.071
  252   1HB   PRO  30           HB2      PRO  30 -14.696  -1.323  -2.481
  253   2HB   PRO  30           HB3      PRO  30 -12.958  -1.314  -2.181
  254   1HG   PRO  30           HG2      PRO  30 -14.648  -3.401  -3.479
  255   2HG   PRO  30           HG3      PRO  30 -13.006  -2.870  -3.887
  256   1HD   PRO  30           HD2      PRO  30 -13.440  -5.166  -2.587
  257   2HD   PRO  30           HD3      PRO  30 -12.043  -4.140  -2.197
  258    H    THR  31           H        THR  31 -16.020  -4.079  -1.230
  259    HA   THR  31           HA       THR  31 -18.224  -2.418  -0.931
  260    HB   THR  31           HB       THR  31 -18.245  -5.365  -0.296
  261    HG1  THR  31           HG1      THR  31 -17.605  -4.074  -2.641
  262   1HG2  THR  31          2HG2      THR  31 -20.331  -4.151   0.072
  263   2HG2  THR  31          1HG2      THR  31 -20.262  -3.527  -1.575
  264   3HG2  THR  31          3HG2      THR  31 -20.475  -5.254  -1.297
  265    H    THR  32           H        THR  32 -16.245  -3.952   1.462
  266    HA   THR  32           HA       THR  32 -18.039  -4.076   3.610
  267    HB   THR  32           HB       THR  32 -16.045  -4.013   5.075
  268    HG1  THR  32           HG1      THR  32 -14.329  -3.035   4.336
  269   1HG2  THR  32          1HG2      THR  32 -16.721  -6.122   4.039
  270   2HG2  THR  32          3HG2      THR  32 -15.734  -5.751   2.624
  271   3HG2  THR  32          2HG2      THR  32 -14.966  -6.029   4.187
  272    H    GLY  33           H        GLY  33 -15.532  -1.583   3.055
  273   1HA   GLY  33           HA3      GLY  33 -16.884   0.209   4.890
  274   2HA   GLY  33           HA2      GLY  33 -16.943   0.701   3.205
  275    H    TYR  34           H        TYR  34 -14.377  -0.742   5.218
  276    HA   TYR  34           HA       TYR  34 -12.835   1.679   5.192
  277   1HB   TYR  34           HB2      TYR  34 -12.128  -1.115   6.098
  278   2HB   TYR  34           HB3      TYR  34 -11.102   0.296   6.327
  279    HD1  TYR  34           HD1      TYR  34 -14.497  -1.009   7.131
  280    HD2  TYR  34           HD2      TYR  34 -11.310   1.582   8.265
  281    HE1  TYR  34           HE1      TYR  34 -15.638  -0.544   9.258
  282    HE2  TYR  34           HE2      TYR  34 -12.449   2.051  10.393
  283    HH   TYR  34           HH       TYR  34 -15.067   0.222  11.526
  284    H    MET  35           H        MET  35 -10.309   1.132   4.739
  285    HA   MET  35           HA       MET  35 -10.024  -0.148   2.146
  286   1HB   MET  35           HB2      MET  35 -10.288   2.039   1.410
  287   2HB   MET  35           HB3      MET  35  -9.540   2.719   2.850
  288   1HG   MET  35           HG2      MET  35  -7.377   1.712   2.033
  289   2HG   MET  35           HG3      MET  35  -8.213   1.416   0.520
  290   1HE   MET  35           HE1      MET  35  -6.179   2.799  -0.573
  291   2HE   MET  35           HE3      MET  35  -7.714   3.028  -1.411
  292   3HE   MET  35           HE2      MET  35  -6.663   4.410  -1.104
  293    H    TRP  36           H        TRP  36  -7.938  -0.847   1.729
  294    HA   TRP  36           HA       TRP  36  -6.178  -0.904   4.078
  295   1HB   TRP  36           HB2      TRP  36  -6.857  -2.847   1.994
  296   2HB   TRP  36           HB3      TRP  36  -5.137  -2.719   2.319
  297    HD1  TRP  36           HD1      TRP  36  -7.984  -4.664   3.378
  298    HE1  TRP  36           HE1      TRP  36  -7.626  -5.704   5.705
  299    HE3  TRP  36           HE3      TRP  36  -3.987  -1.872   4.902
  300    HZ2  TRP  36           HZ2      TRP  36  -5.878  -5.380   7.899
  301    HZ3  TRP  36           HZ3      TRP  36  -3.030  -2.298   7.125
  302    HH2  TRP  36           HH2      TRP  36  -3.959  -4.013   8.592
  303    H    THR  37           H        THR  37  -5.317   1.168   3.663
  304    HA   THR  37           HA       THR  37  -3.406   1.201   1.418
  305    HB   THR  37           HB       THR  37  -5.344   2.716   0.995
  306    HG1  THR  37           HG1      THR  37  -4.013   4.426   0.361
  307   1HG2  THR  37          1HG2      THR  37  -4.266   4.140   3.437
  308   2HG2  THR  37          3HG2      THR  37  -5.457   4.812   2.322
  309   3HG2  THR  37          2HG2      THR  37  -5.849   3.379   3.273
  310    H    ARG  38           H        ARG  38  -2.022   3.536   2.060
  311    HA   ARG  38           HA       ARG  38  -0.636   2.632   4.434
  312   1HB   ARG  38           HB2      ARG  38   0.055   4.303   2.119
  313   2HB   ARG  38           HB3      ARG  38   0.735   4.858   3.638
  314   1HG   ARG  38           HG2      ARG  38   1.868   2.829   3.989
  315   2HG   ARG  38           HG3      ARG  38   0.997   2.039   2.675
  316   1HD   ARG  38           HD2      ARG  38   3.419   2.883   2.318
  317   2HD   ARG  38           HD3      ARG  38   2.243   3.077   1.044
  318    HE   ARG  38           HE       ARG  38   2.031   5.422   1.883
  319   1HH1  ARG  38          1HH1      ARG  38   4.891   3.554   2.569
  320   2HH1  ARG  38          2HH1      ARG  38   5.934   4.935   2.656
  321   1HH2  ARG  38          1HH2      ARG  38   3.411   7.251   1.982
  322   2HH2  ARG  38          2HH2      ARG  38   5.093   7.030   2.326
  323    H    VAL  39           H        VAL  39  -0.522   3.617   6.354
  324    HA   VAL  39           HA       VAL  39  -2.557   5.146   7.354
  325    HB   VAL  39           HB       VAL  39   0.286   5.203   8.373
  326   1HG1  VAL  39          3HG1      VAL  39  -2.345   5.674   9.770
  327   2HG1  VAL  39          2HG1      VAL  39  -0.769   5.599  10.557
  328   3HG1  VAL  39          1HG1      VAL  39  -1.119   6.888   9.406
  329   1HG2  VAL  39          3HG2      VAL  39  -0.711   2.906   7.981
  330   2HG2  VAL  39          2HG2      VAL  39  -0.158   3.251   9.620
  331   3HG2  VAL  39          1HG2      VAL  39  -1.881   3.306   9.239
  332    H    GLY  40           H        GLY  40  -2.804   7.314   7.974
  333   1HA   GLY  40           HA3      GLY  40  -0.967   9.376   7.404
  334   2HA   GLY  40           HA2      GLY  40  -2.681   9.591   7.729
  335    H    PHE  41           H        PHE  41  -2.569   7.495   5.240
  336    HA   PHE  41           HA       PHE  41  -2.742   9.655   3.251
  337   1HB   PHE  41           HB2      PHE  41  -1.590   6.887   2.839
  338   2HB   PHE  41           HB3      PHE  41  -1.770   8.116   1.589
  339    HD1  PHE  41           HD1      PHE  41   0.714   6.617   3.070
  340    HD2  PHE  41           HD2      PHE  41  -0.956  10.527   3.037
  341    HE1  PHE  41           HE1      PHE  41   2.902   7.553   3.698
  342    HE2  PHE  41           HE2      PHE  41   1.233  11.474   3.650
  343    HZ   PHE  41           HZ       PHE  41   3.165   9.984   3.986
  344    H    VAL  42           H        VAL  42  -4.794   8.484   4.843
  345    HA   VAL  42           HA       VAL  42  -6.305   6.540   3.513
  346    HB   VAL  42           HB       VAL  42  -6.888   7.005   5.753
  347   1HG1  VAL  42          2HG1      VAL  42  -6.009   9.274   5.882
  348   2HG1  VAL  42          1HG1      VAL  42  -7.386   9.868   4.954
  349   3HG1  VAL  42          3HG1      VAL  42  -7.635   9.180   6.560
  350   1HG2  VAL  42          1HG2      VAL  42  -8.793   6.496   4.264
  351   2HG2  VAL  42          3HG2      VAL  42  -9.255   7.453   5.672
  352   3HG2  VAL  42          2HG2      VAL  42  -9.087   8.226   4.095
  353    H    GLY  43           H        GLY  43  -6.655   6.794   1.366
  354   1HA   GLY  43           HA3      GLY  43  -8.025   9.273   0.521
  355   2HA   GLY  43           HA2      GLY  43  -8.521   7.682  -0.037
  356    H    LYS  44           H        LYS  44  -5.145   8.461   0.326
  357    HA   LYS  44           HA       LYS  44  -4.692   9.394  -2.307
  358   1HB   LYS  44           HB2      LYS  44  -2.810   8.163  -0.291
  359   2HB   LYS  44           HB3      LYS  44  -2.304   8.931  -1.784
  360   1HG   LYS  44           HG2      LYS  44  -3.406  11.027  -0.989
  361   2HG   LYS  44           HG3      LYS  44  -3.659  10.225   0.563
  362   1HD   LYS  44           HD2      LYS  44  -1.251   9.906   0.800
  363   2HD   LYS  44           HD3      LYS  44  -0.988  10.681  -0.764
  364   1HE   LYS  44           HE2      LYS  44  -2.222  11.977   1.662
  365   2HE   LYS  44           HE3      LYS  44  -0.574  12.224   1.088
  366   1HZ   LYS  44           HZ3      LYS  44  -3.046  12.906  -0.410
  367   2HZ   LYS  44           HZ2      LYS  44  -2.032  14.009   0.376
  368   3HZ   LYS  44           HZ1      LYS  44  -1.464  13.145  -0.961
  369    H    ASP  45           H        ASP  45  -2.842   8.100  -3.576
  370    HA   ASP  45           HA       ASP  45  -3.801   5.337  -3.909
  371   1HB   ASP  45           HB2      ASP  45  -3.825   7.513  -5.787
  372   2HB   ASP  45           HB3      ASP  45  -2.774   6.231  -6.379
  373    H    VAL  46           H        VAL  46  -1.114   7.541  -4.673
  374    HA   VAL  46           HA       VAL  46   0.763   5.462  -5.142
  375    HB   VAL  46           HB       VAL  46   1.165   7.604  -6.137
  376   1HG1  VAL  46          2HG1      VAL  46   0.019   8.993  -4.496
  377   2HG1  VAL  46          1HG1      VAL  46   1.318   8.712  -3.336
  378   3HG1  VAL  46          3HG1      VAL  46   1.640   9.608  -4.821
  379   1HG2  VAL  46          3HG2      VAL  46   3.146   6.306  -5.541
  380   2HG2  VAL  46          2HG2      VAL  46   3.466   8.039  -5.445
  381   3HG2  VAL  46          1HG2      VAL  46   3.204   7.107  -3.971
  382    H    LEU  47           H        LEU  47   0.134   7.553  -2.362
  383    HA   LEU  47           HA       LEU  47   0.508   7.300  -0.148
  384   1HB   LEU  47           HB2      LEU  47   1.647   4.579  -0.571
  385   2HB   LEU  47           HB3      LEU  47   0.731   5.198   0.782
  386    HG   LEU  47           HG       LEU  47  -0.388   4.545  -1.943
  387   1HD1  LEU  47          2HD1      LEU  47  -0.643   3.139   0.712
  388   2HD1  LEU  47          1HD1      LEU  47  -1.577   2.749  -0.733
  389   3HD1  LEU  47          3HD1      LEU  47   0.176   2.538  -0.730
  390   1HD2  LEU  47          3HD2      LEU  47  -1.759   5.502   0.565
  391   2HD2  LEU  47          2HD2      LEU  47  -1.578   6.402  -0.942
  392   3HD2  LEU  47          1HD2      LEU  47  -2.573   4.946  -0.898
  393    H    SER  48           H        SER  48   3.091   5.465  -1.731
  394    HA   SER  48           HA       SER  48   5.215   6.041  -0.147
  395   1HB   SER  48           HB2      SER  48   6.606   5.480  -1.989
  396   2HB   SER  48           HB3      SER  48   5.121   4.562  -2.201
  397    HG   SER  48           HG       SER  48   5.858   6.958  -3.523
  398    H    ASP  49           H        ASP  49   7.190   7.405  -0.850
  399    HA   ASP  49           HA       ASP  49   6.547   9.979  -1.999
  400   1HB   ASP  49           HB2      ASP  49   7.197   9.669   0.928
  401   2HB   ASP  49           HB3      ASP  49   7.451  11.182   0.062
  402    H    GLU  50           H        GLU  50   9.052   9.313   0.379
  403    HA   GLU  50           HA       GLU  50  11.061   9.296  -1.768
  404   1HB   GLU  50           HB2      GLU  50  12.473  10.757  -0.437
  405   2HB   GLU  50           HB3      GLU  50  10.912  11.517  -0.721
  406   1HG   GLU  50           HG2      GLU  50  10.180  10.921   1.508
  407   2HG   GLU  50           HG3      GLU  50  11.712  10.102   1.809
  408    H    ILE  51           H        ILE  51  10.141   8.338   1.474
  409    HA   ILE  51           HA       ILE  51  12.533   6.942   2.113
  410    HB   ILE  51           HB       ILE  51   9.778   6.467   3.244
  411   1HG1  ILE  51          2HG1      ILE  51  10.453   8.866   3.295
  412   2HG1  ILE  51          3HG1      ILE  51  10.270   8.153   4.891
  413   1HG2  ILE  51          3HG2      ILE  51  12.544   5.938   4.319
  414   2HG2  ILE  51          2HG2      ILE  51  11.059   5.792   5.261
  415   3HG2  ILE  51          1HG2      ILE  51  11.326   4.744   3.870
  416   1HD1  ILE  51          3HD1      ILE  51  12.886   8.579   3.468
  417   2HD1  ILE  51          2HD1      ILE  51  12.227   9.611   4.739
  418   3HD1  ILE  51          1HD1      ILE  51  12.675   7.944   5.101
  419    H    LEU  52           H        LEU  52   9.361   5.404   1.925
  420    HA   LEU  52           HA       LEU  52  10.615   3.114   0.584
  421   1HB   LEU  52           HB2      LEU  52   8.295   3.456   2.411
  422   2HB   LEU  52           HB3      LEU  52   8.207   2.167   1.228
  423    HG   LEU  52           HG       LEU  52  10.523   2.452   3.122
  424   1HD1  LEU  52          1HD1      LEU  52   7.993   0.860   3.495
  425   2HD1  LEU  52          3HD1      LEU  52   9.433   0.743   4.505
  426   3HD1  LEU  52          2HD1      LEU  52   8.509   2.245   4.457
  427   1HD2  LEU  52          1HD2      LEU  52  10.712   1.063   1.027
  428   2HD2  LEU  52          3HD2      LEU  52  11.019   0.214   2.541
  429   3HD2  LEU  52          2HD2      LEU  52   9.475   0.012   1.714
  430    H    GLU  53           H        GLU  53  10.378   3.038  -1.573
  431    HA   GLU  53           HA       GLU  53   8.388   4.475  -2.988
  432   1HB   GLU  53           HB2      GLU  53  10.612   2.701  -3.621
  433   2HB   GLU  53           HB3      GLU  53   9.241   2.455  -4.693
  434   1HG   GLU  53           HG2      GLU  53  10.023   5.243  -4.195
  435   2HG   GLU  53           HG3      GLU  53  11.164   4.258  -5.107
  436    H    VAL  54           H        VAL  54   6.626   3.625  -1.562
  437    HA   VAL  54           HA       VAL  54   5.749   0.931  -1.919
  438    HB   VAL  54           HB       VAL  54   4.143   3.231  -0.824
  439   1HG1  VAL  54          1HG1      VAL  54   2.891   1.199  -1.384
  440   2HG1  VAL  54          3HG1      VAL  54   3.968   0.259  -0.352
  441   3HG1  VAL  54          2HG1      VAL  54   2.924   1.492   0.355
  442   1HG2  VAL  54          1HG2      VAL  54   6.205   1.490   0.491
  443   2HG2  VAL  54          3HG2      VAL  54   6.098   3.250   0.479
  444   3HG2  VAL  54          2HG2      VAL  54   4.939   2.302   1.409
  445    H    VAL  55           H        VAL  55   5.577   0.793  -4.212
  446    HA   VAL  55           HA       VAL  55   3.641   2.421  -5.582
  447    HB   VAL  55           HB       VAL  55   4.857  -0.155  -6.560
  448   1HG1  VAL  55          3HG1      VAL  55   2.858   0.829  -7.728
  449   2HG1  VAL  55          2HG1      VAL  55   3.874   2.211  -8.135
  450   3HG1  VAL  55          1HG1      VAL  55   4.289   0.606  -8.736
  451   1HG2  VAL  55          3HG2      VAL  55   5.936   2.650  -6.828
  452   2HG2  VAL  55          2HG2      VAL  55   6.660   1.337  -5.900
  453   3HG2  VAL  55          1HG2      VAL  55   6.572   1.229  -7.658
  454    H    CYS  56           H        CYS  56   1.795   2.079  -4.395
  455    HA   CYS  56           HA       CYS  56   0.706  -0.633  -4.290
  456   1HB   CYS  56           HB2      CYS  56   0.723   0.531  -2.167
  457   2HB   CYS  56           HB3      CYS  56  -0.136   1.898  -2.870
  458    HG   CYS  56           HG       CYS  56  -1.703   0.145  -1.121
  459    H    LYS  57           H        LYS  57  -1.199  -1.196  -5.197
  460    HA   LYS  57           HA       LYS  57  -2.635   0.821  -6.762
  461   1HB   LYS  57           HB2      LYS  57  -2.042  -1.955  -7.762
  462   2HB   LYS  57           HB3      LYS  57  -2.819  -0.654  -8.646
  463   1HG   LYS  57           HG2      LYS  57   0.024  -0.539  -7.674
  464   2HG   LYS  57           HG3      LYS  57  -0.448  -1.083  -9.285
  465   1HD   LYS  57           HD2      LYS  57  -1.497   1.092  -9.707
  466   2HD   LYS  57           HD3      LYS  57  -1.013   1.633  -8.098
  467   1HE   LYS  57           HE2      LYS  57   1.335   1.353  -8.703
  468   2HE   LYS  57           HE3      LYS  57   0.862   0.786 -10.304
  469   1HZ   LYS  57           HZ2      LYS  57  -0.147   2.943 -10.727
  470   2HZ   LYS  57           HZ1      LYS  57   0.316   3.486  -9.193
  471   3HZ   LYS  57           HZ3      LYS  57   1.493   3.112 -10.349
  472    H    TYR  58           H        TYR  58  -4.527   0.914  -5.821
  473    HA   TYR  58           HA       TYR  58  -5.722  -1.339  -4.487
  474   1HB   TYR  58           HB2      TYR  58  -5.922   1.078  -3.728
  475   2HB   TYR  58           HB3      TYR  58  -7.000   1.338  -5.095
  476    HD1  TYR  58           HD1      TYR  58  -7.141   1.170  -1.768
  477    HD2  TYR  58           HD2      TYR  58  -8.733  -0.966  -5.111
  478    HE1  TYR  58           HE1      TYR  58  -9.075   0.447  -0.419
  479    HE2  TYR  58           HE2      TYR  58 -10.641  -1.701  -3.756
  480    HH   TYR  58           HH       TYR  58 -11.385  -0.313  -0.750
  481    H    THR  59           H        THR  59  -6.332  -2.920  -5.862
  482    HA   THR  59           HA       THR  59  -7.716  -2.241  -8.341
  483    HB   THR  59           HB       THR  59  -6.902  -4.970  -7.327
  484    HG1  THR  59           HG1      THR  59  -5.563  -3.474  -9.331
  485   1HG2  THR  59          3HG2      THR  59  -8.665  -5.028  -9.021
  486   2HG2  THR  59          2HG2      THR  59  -7.692  -4.009 -10.082
  487   3HG2  THR  59          1HG2      THR  59  -7.145  -5.637  -9.678
  488    HA   PRO  60           HA       PRO  60 -11.533  -3.461  -6.281
  489   1HB   PRO  60           HB2      PRO  60 -12.982  -1.401  -7.160
  490   2HB   PRO  60           HB3      PRO  60 -11.728  -1.160  -5.941
  491   1HG   PRO  60           HG2      PRO  60 -11.761  -0.355  -8.771
  492   2HG   PRO  60           HG3      PRO  60 -10.781   0.272  -7.436
  493   1HD   PRO  60           HD2      PRO  60 -10.098  -1.731  -9.424
  494   2HD   PRO  60           HD3      PRO  60  -9.050  -0.921  -8.242
  495    H    THR  61           H        THR  61 -11.559  -5.352  -7.753
  496    HA   THR  61           HA       THR  61 -12.211  -5.396 -10.417
  497    HB   THR  61           HB       THR  61 -13.502  -7.423  -8.648
  498    HG1  THR  61           HG1      THR  61 -10.837  -6.720  -8.617
  499   1HG2  THR  61          3HG2      THR  61 -11.891  -7.603 -11.193
  500   2HG2  THR  61          2HG2      THR  61 -12.662  -8.958 -10.368
  501   3HG2  THR  61          1HG2      THR  61 -13.649  -7.675 -11.070
  502    HA   PRO  62           HA       PRO  62 -16.224  -3.556 -10.828
  503   1HB   PRO  62           HB2      PRO  62 -16.982  -5.069 -13.045
  504   2HB   PRO  62           HB3      PRO  62 -16.086  -3.549 -13.095
  505   1HG   PRO  62           HG2      PRO  62 -15.069  -6.355 -13.234
  506   2HG   PRO  62           HG3      PRO  62 -14.528  -4.919 -14.124
  507   1HD   PRO  62           HD2      PRO  62 -13.133  -5.868 -12.056
  508   2HD   PRO  62           HD3      PRO  62 -13.308  -4.117 -12.309
  509    H    SER  63           H        SER  63 -18.413  -4.072 -10.524
  510    HA   SER  63           HA       SER  63 -18.918  -6.345  -8.924
  511   1HB   SER  63           HB2      SER  63 -20.844  -4.399 -10.212
  512   2HB   SER  63           HB3      SER  63 -21.239  -5.534  -8.927
  513    HG   SER  63           HG       SER  63 -19.821  -3.156  -8.821
  514    H    SER  64           H        SER  64 -19.201  -8.352  -9.617
  515    HA   SER  64           HA       SER  64 -19.837  -8.921 -12.366
  516   1HB   SER  64           HB2      SER  64 -19.623 -11.288 -11.686
  517   2HB   SER  64           HB3      SER  64 -18.235 -10.333 -11.166
  518    HG   SER  64           HG       SER  64 -18.687 -11.174  -9.289
  519    H    THR  65           H        THR  65 -21.569  -8.535  -9.441
  520    HA   THR  65           HA       THR  65 -23.850 -10.116 -10.222
  521    HB   THR  65           HB       THR  65 -24.927  -9.165  -8.211
  522    HG1  THR  65           HG1      THR  65 -23.721  -7.742  -6.904
  523   1HG2  THR  65          1HG2      THR  65 -22.112 -10.159  -7.748
  524   2HG2  THR  65          3HG2      THR  65 -23.409 -10.150  -6.552
  525   3HG2  THR  65          2HG2      THR  65 -23.543 -11.164  -7.989
  526    HA   PRO  66           HA       PRO  66 -26.051  -6.977 -12.418
  527   1HB   PRO  66           HB2      PRO  66 -28.612  -7.631 -11.965
  528   2HB   PRO  66           HB3      PRO  66 -27.545  -8.691 -12.899
  529   1HG   PRO  66           HG2      PRO  66 -28.285  -8.845  -9.990
  530   2HG   PRO  66           HG3      PRO  66 -28.304 -10.139 -11.206
  531   1HD   PRO  66           HD2      PRO  66 -26.259  -9.818  -9.469
  532   2HD   PRO  66           HD3      PRO  66 -26.004 -10.404 -11.126
  533    H    MET  67           H        MET  67 -25.609  -6.777  -9.298
  534    HA   MET  67           HA       MET  67 -27.357  -4.432  -8.975
  535   1HB   MET  67           HB2      MET  67 -26.501  -6.363  -6.815
  536   2HB   MET  67           HB3      MET  67 -27.450  -4.905  -6.561
  537   1HG   MET  67           HG2      MET  67 -29.238  -5.825  -7.947
  538   2HG   MET  67           HG3      MET  67 -28.286  -7.287  -8.200
  539   1HE   MET  67           HE1      MET  67 -31.282  -7.320  -7.132
  540   2HE   MET  67           HE3      MET  67 -30.322  -8.780  -7.370
  541   3HE   MET  67           HE2      MET  67 -31.163  -8.518  -5.843
  542    H    VAL  68           H        VAL  68 -25.228  -5.166  -6.411
  543    HA   VAL  68           HA       VAL  68 -23.113  -3.427  -7.432
  544    HB   VAL  68           HB       VAL  68 -24.576  -2.896  -4.839
  545   1HG1  VAL  68          2HG1      VAL  68 -22.161  -1.535  -6.028
  546   2HG1  VAL  68          1HG1      VAL  68 -23.051  -0.976  -4.611
  547   3HG1  VAL  68          3HG1      VAL  68 -22.198  -2.519  -4.565
  548   1HG2  VAL  68          2HG2      VAL  68 -25.797  -2.095  -6.787
  549   2HG2  VAL  68          1HG2      VAL  68 -25.149  -0.744  -5.857
  550   3HG2  VAL  68          3HG2      VAL  68 -24.360  -1.244  -7.353
  551    H    GLY  69           H        GLY  69 -21.102  -3.820  -6.555
  552   1HA   GLY  69           HA3      GLY  69 -20.851  -6.316  -5.092
  553   2HA   GLY  69           HA2      GLY  69 -20.288  -4.889  -4.235
  554    H    VAL  70           H        VAL  70 -18.471  -3.751  -5.029
  555    HA   VAL  70           HA       VAL  70 -17.042  -4.380  -7.343
  556    HB   VAL  70           HB       VAL  70 -15.951  -3.279  -4.755
  557   1HG1  VAL  70          3HG1      VAL  70 -14.194  -4.106  -6.247
  558   2HG1  VAL  70          2HG1      VAL  70 -14.839  -3.116  -7.557
  559   3HG1  VAL  70          1HG1      VAL  70 -14.159  -2.348  -6.123
  560   1HG2  VAL  70          2HG2      VAL  70 -17.029  -1.857  -7.187
  561   2HG2  VAL  70          1HG2      VAL  70 -17.794  -1.936  -5.599
  562   3HG2  VAL  70          3HG2      VAL  70 -16.265  -1.082  -5.800
  563    H    GLY  71           H        GLY  71 -15.399  -4.866  -4.324
  564   1HA   GLY  71           HA3      GLY  71 -15.212  -7.732  -4.634
  565   2HA   GLY  71           HA2      GLY  71 -14.461  -6.770  -3.372
  566    H    GLY  72           H        GLY  72 -12.369  -6.136  -3.577
  567   1HA   GLY  72           HA3      GLY  72 -10.708  -5.651  -5.565
  568   2HA   GLY  72           HA2      GLY  72 -10.874  -7.391  -5.755
  569    H    ILE  73           H        ILE  73  -8.480  -5.804  -5.065
  570    HA   ILE  73           HA       ILE  73  -8.001  -6.603  -2.303
  571    HB   ILE  73           HB       ILE  73  -5.841  -7.612  -2.874
  572   1HG1  ILE  73          2HG1      ILE  73  -6.703  -7.921  -5.712
  573   2HG1  ILE  73          3HG1      ILE  73  -5.857  -6.457  -5.211
  574   1HG2  ILE  73          1HG2      ILE  73  -7.867  -8.966  -2.483
  575   2HG2  ILE  73          3HG2      ILE  73  -8.092  -9.049  -4.232
  576   3HG2  ILE  73          2HG2      ILE  73  -6.651  -9.752  -3.490
  577   1HD1  ILE  73          1HD1      ILE  73  -4.017  -7.839  -4.354
  578   2HD1  ILE  73          3HD1      ILE  73  -4.855  -9.281  -4.929
  579   3HD1  ILE  73          2HD1      ILE  73  -4.289  -8.072  -6.084
  580    H    TYR  74           H        TYR  74  -5.321  -6.159  -2.167
  581    HA   TYR  74           HA       TYR  74  -4.928  -3.408  -3.103
  582   1HB   TYR  74           HB2      TYR  74  -4.092  -4.205  -0.333
  583   2HB   TYR  74           HB3      TYR  74  -4.433  -2.598  -0.972
  584    HD1  TYR  74           HD1      TYR  74  -5.924  -5.681   0.370
  585    HD2  TYR  74           HD2      TYR  74  -6.705  -1.749  -1.048
  586    HE1  TYR  74           HE1      TYR  74  -8.190  -5.808   1.288
  587    HE2  TYR  74           HE2      TYR  74  -8.981  -1.876  -0.118
  588    HH   TYR  74           HH       TYR  74  -9.963  -4.288   2.040
  589    H    VAL  75           H        VAL  75  -3.347  -3.920  -4.573
  590    HA   VAL  75           HA       VAL  75  -1.184  -5.701  -3.881
  591    HB   VAL  75           HB       VAL  75  -1.693  -4.061  -6.366
  592   1HG1  VAL  75          3HG1      VAL  75   0.486  -6.073  -5.809
  593   2HG1  VAL  75          2HG1      VAL  75   0.122  -5.380  -7.390
  594   3HG1  VAL  75          1HG1      VAL  75   0.696  -4.343  -6.084
  595   1HG2  VAL  75          2HG2      VAL  75  -3.255  -5.910  -6.019
  596   2HG2  VAL  75          1HG2      VAL  75  -2.196  -6.214  -7.396
  597   3HG2  VAL  75          3HG2      VAL  75  -1.899  -7.026  -5.859
  598    H    VAL  76           H        VAL  76   0.204  -4.877  -2.433
  599    HA   VAL  76           HA       VAL  76   1.160  -2.125  -2.821
  600    HB   VAL  76           HB       VAL  76   1.489  -3.877  -0.385
  601   1HG1  VAL  76          1HG1      VAL  76   2.063  -0.967  -0.910
  602   2HG1  VAL  76          3HG1      VAL  76   2.010  -1.679   0.701
  603   3HG1  VAL  76          2HG1      VAL  76   3.211  -2.230  -0.467
  604   1HG2  VAL  76          2HG2      VAL  76  -0.867  -3.369  -0.790
  605   2HG2  VAL  76          1HG2      VAL  76  -0.265  -2.517   0.632
  606   3HG2  VAL  76          3HG2      VAL  76  -0.484  -1.651  -0.888
  607    H    LEU  77           H        LEU  77   3.108  -1.786  -3.632
  608    HA   LEU  77           HA       LEU  77   5.130  -3.922  -3.453
  609   1HB   LEU  77           HB2      LEU  77   4.777  -1.730  -5.499
  610   2HB   LEU  77           HB3      LEU  77   6.193  -2.760  -5.414
  611    HG   LEU  77           HG       LEU  77   3.360  -3.680  -5.955
  612   1HD1  LEU  77          3HD1      LEU  77   4.329  -2.443  -7.820
  613   2HD1  LEU  77          2HD1      LEU  77   5.753  -3.482  -7.778
  614   3HD1  LEU  77          1HD1      LEU  77   4.180  -4.158  -8.202
  615   1HD2  LEU  77          3HD2      LEU  77   5.057  -5.216  -4.709
  616   2HD2  LEU  77          2HD2      LEU  77   4.115  -5.853  -6.058
  617   3HD2  LEU  77          1HD2      LEU  77   5.793  -5.371  -6.305
  618    H    VAL  78           H        VAL  78   6.345  -3.434  -1.708
  619    HA   VAL  78           HA       VAL  78   7.003  -0.625  -1.215
  620    HB   VAL  78           HB       VAL  78   8.131  -2.461   0.712
  621   1HG1  VAL  78          2HG1      VAL  78   7.781  -0.062   1.079
  622   2HG1  VAL  78          1HG1      VAL  78   6.034  -0.290   0.933
  623   3HG1  VAL  78          3HG1      VAL  78   6.915  -1.022   2.277
  624   1HG2  VAL  78          2HG2      VAL  78   6.278  -3.906   0.038
  625   2HG2  VAL  78          1HG2      VAL  78   6.048  -3.285   1.671
  626   3HG2  VAL  78          3HG2      VAL  78   5.145  -2.588   0.327
  627    H    LYS  79           H        LYS  79   8.723   0.114  -2.220
  628    HA   LYS  79           HA       LYS  79  11.098  -1.615  -2.454
  629   1HB   LYS  79           HB2      LYS  79   9.932   0.457  -4.274
  630   2HB   LYS  79           HB3      LYS  79  11.659   0.140  -4.319
  631   1HG   LYS  79           HG2      LYS  79  11.195  -2.227  -4.782
  632   2HG   LYS  79           HG3      LYS  79   9.458  -1.867  -4.804
  633   1HD   LYS  79           HD2      LYS  79  11.507  -0.601  -6.628
  634   2HD   LYS  79           HD3      LYS  79  10.480  -1.966  -7.067
  635   1HE   LYS  79           HE2      LYS  79   8.490  -0.591  -6.686
  636   2HE   LYS  79           HE3      LYS  79   9.519   0.775  -6.253
  637   1HZ   LYS  79           HZ3      LYS  79   9.460  -0.573  -8.900
  638   2HZ   LYS  79           HZ2      LYS  79   8.768   0.928  -8.540
  639   3HZ   LYS  79           HZ1      LYS  79  10.448   0.736  -8.484
  640    HA   PRO  80           HA       PRO  80  12.429   1.462   0.677
  641   1HB   PRO  80           HB2      PRO  80  14.915   0.150   0.862
  642   2HB   PRO  80           HB3      PRO  80  13.545  -0.014   1.961
  643   1HG   PRO  80           HG2      PRO  80  14.419  -1.779  -0.249
  644   2HG   PRO  80           HG3      PRO  80  13.559  -2.185   1.246
  645   1HD   PRO  80           HD2      PRO  80  12.330  -2.131  -1.159
  646   2HD   PRO  80           HD3      PRO  80  11.496  -1.695   0.348
  647    H    ARG  81           H        ARG  81  12.822   3.310  -0.376
  648    HA   ARG  81           HA       ARG  81  14.622   3.527  -2.582
  649   1HB   ARG  81           HB2      ARG  81  12.738   5.238  -1.183
  650   2HB   ARG  81           HB3      ARG  81  14.210   6.097  -1.607
  651   1HG   ARG  81           HG2      ARG  81  13.923   5.563  -3.926
  652   2HG   ARG  81           HG3      ARG  81  12.541   4.526  -3.555
  653   1HD   ARG  81           HD2      ARG  81  11.262   6.411  -2.792
  654   2HD   ARG  81           HD3      ARG  81  12.655   7.480  -2.965
  655    HE   ARG  81           HE       ARG  81  11.862   6.166  -5.404
  656   1HH1  ARG  81          1HH1      ARG  81  11.417   8.946  -3.350
  657   2HH1  ARG  81          2HH1      ARG  81  10.818   9.953  -4.625
  658   1HH2  ARG  81          1HH2      ARG  81  11.076   7.486  -7.089
  659   2HH2  ARG  81          2HH2      ARG  81  10.624   9.124  -6.750
  660    H    LYS  82           H        LYS  82  14.784   4.247   0.858
  661    HA   LYS  82           HA       LYS  82  17.602   5.038   0.536
  662   1HB   LYS  82           HB2      LYS  82  15.764   5.647   2.855
  663   2HB   LYS  82           HB3      LYS  82  17.386   6.275   2.608
  664   1HG   LYS  82           HG2      LYS  82  16.622   7.470   0.615
  665   2HG   LYS  82           HG3      LYS  82  14.991   6.844   0.874
  666   1HD   LYS  82           HD2      LYS  82  14.939   7.970   3.069
  667   2HD   LYS  82           HD3      LYS  82  16.534   8.649   2.735
  668   1HE   LYS  82           HE2      LYS  82  14.043   9.120   1.099
  669   2HE   LYS  82           HE3      LYS  82  14.740  10.252   2.256
  670   1HZ   LYS  82           HZ1      LYS  82  16.069   9.267  -0.210
  671   2HZ   LYS  82           HZ3      LYS  82  15.378  10.797  -0.005
  672   3HZ   LYS  82           HZ2      LYS  82  16.737  10.355   0.900
  673    H    ARG  83           H        ARG  83  18.850   4.614   2.697
  674    HA   ARG  83           HA       ARG  83  18.344   1.811   3.445
  675   1HB   ARG  83           HB2      ARG  83  20.974   3.286   3.550
  676   2HB   ARG  83           HB3      ARG  83  20.716   1.564   3.794
  677   1HG   ARG  83           HG2      ARG  83  20.188   1.228   1.507
  678   2HG   ARG  83           HG3      ARG  83  20.106   2.965   1.206
  679   1HD   ARG  83           HD2      ARG  83  22.493   3.163   1.689
  680   2HD   ARG  83           HD3      ARG  83  22.579   1.427   1.990
  681    HE   ARG  83           HE       ARG  83  21.535   1.744  -0.555
  682   1HH1  ARG  83          1HH1      ARG  83  24.490   2.506   1.126
  683   2HH1  ARG  83          2HH1      ARG  83  25.479   2.386  -0.291
  684   1HH2  ARG  83          1HH2      ARG  83  22.829   1.581  -2.425
  685   2HH2  ARG  83          2HH2      ARG  83  24.535   1.860  -2.309
  686    H    GLY  84           H        GLY  84  18.445   1.197   5.589
  687   1HA   GLY  84           HA3      GLY  84  18.403   3.434   7.516
  688   2HA   GLY  84           HA2      GLY  84  19.291   1.956   7.861
  689    H    HIS  85           H        HIS  85  16.514   3.552   8.515
  690    HA   HIS  85           HA       HIS  85  15.101   1.043   9.129
  691   1HB   HIS  85           HB2      HIS  85  15.799   2.336  11.105
  692   2HB   HIS  85           HB3      HIS  85  14.887   3.720  10.515
  693    HD1  HIS  85           HD1      HIS  85  12.430   3.801  11.052
  694    HD2  HIS  85           HD2      HIS  85  14.153   0.125  11.940
  695    HE1  HIS  85           HE1      HIS  85  10.674   2.524  12.320
  696    HE2  HIS  85           HE2      HIS  85  11.771   0.340  12.928
  697    H    HIS  86           H        HIS  86  13.403   0.652   7.934
  698    HA   HIS  86           HA       HIS  86  11.686   2.878   7.075
  699   1HB   HIS  86           HB2      HIS  86  12.495   0.534   5.338
  700   2HB   HIS  86           HB3      HIS  86  11.375   1.816   4.887
  701    HD1  HIS  86           HD1      HIS  86  14.877   2.012   6.371
  702    HD2  HIS  86           HD2      HIS  86  12.696   3.322   3.089
  703    HE1  HIS  86           HE1      HIS  86  16.440   3.491   5.072
  704    HE2  HIS  86           HE2      HIS  86  15.138   4.165   3.025
  705    H    THR  87           H        THR  87   9.473   2.209   6.555
  706    HA   THR  87           HA       THR  87   8.610  -0.429   7.327
  707    HB   THR  87           HB       THR  87   7.741   1.917   9.024
  708    HG1  THR  87           HG1      THR  87   9.197   1.260  10.430
  709   1HG2  THR  87          2HG2      THR  87   5.991   0.217   8.610
  710   2HG2  THR  87          1HG2      THR  87   7.071  -1.018   9.256
  711   3HG2  THR  87          3HG2      THR  87   6.491   0.280  10.300
  712    H    LEU  88           H        LEU  88   6.589  -0.927   6.564
  713    HA   LEU  88           HA       LEU  88   5.342   1.106   4.866
  714   1HB   LEU  88           HB2      LEU  88   5.876  -0.904   3.694
  715   2HB   LEU  88           HB3      LEU  88   5.133  -1.892   4.930
  716    HG   LEU  88           HG       LEU  88   2.923  -0.837   4.302
  717   1HD1  LEU  88          3HD1      LEU  88   3.807   1.138   3.186
  718   2HD1  LEU  88          2HD1      LEU  88   4.527   0.120   1.939
  719   3HD1  LEU  88          1HD1      LEU  88   2.773   0.204   2.104
  720   1HD2  LEU  88          2HD2      LEU  88   3.587  -3.087   3.589
  721   2HD2  LEU  88          1HD2      LEU  88   2.607  -2.270   2.372
  722   3HD2  LEU  88          3HD2      LEU  88   4.350  -2.397   2.160
  723    H    GLU  89           H        GLU  89   4.161   2.252   6.362
  724    HA   GLU  89           HA       GLU  89   2.470   1.018   8.279
  725   1HB   GLU  89           HB2      GLU  89   2.628   3.836   7.222
  726   2HB   GLU  89           HB3      GLU  89   1.551   3.346   8.522
  727   1HG   GLU  89           HG2      GLU  89   3.420   2.691   9.876
  728   2HG   GLU  89           HG3      GLU  89   4.543   3.060   8.569
  729    H    LEU  90           H        LEU  90   0.958  -0.326   7.431
  730    HA   LEU  90           HA       LEU  90  -0.951   0.875   5.531
  731   1HB   LEU  90           HB2      LEU  90  -0.112  -1.988   5.923
  732   2HB   LEU  90           HB3      LEU  90  -1.612  -1.575   5.121
  733    HG   LEU  90           HG       LEU  90   1.162  -0.805   4.210
  734   1HD1  LEU  90          1HD1      LEU  90  -0.858  -2.782   3.172
  735   2HD1  LEU  90          3HD1      LEU  90   0.564  -2.256   2.272
  736   3HD1  LEU  90          2HD1      LEU  90   0.757  -3.122   3.795
  737   1HD2  LEU  90          2HD2      LEU  90  -1.531  -0.223   2.984
  738   2HD2  LEU  90          1HD2      LEU  90  -0.409   0.955   3.665
  739   3HD2  LEU  90          3HD2      LEU  90   0.027   0.062   2.207
  740    H    VAL  91           H        VAL  91  -2.979   1.168   6.197
  741    HA   VAL  91           HA       VAL  91  -3.886  -0.257   8.604
  742    HB   VAL  91           HB       VAL  91  -3.109   1.972   9.270
  743   1HG1  VAL  91          3HG1      VAL  91  -5.126   2.949   7.251
  744   2HG1  VAL  91          2HG1      VAL  91  -4.365   3.973   8.473
  745   3HG1  VAL  91          1HG1      VAL  91  -3.378   3.199   7.232
  746   1HG2  VAL  91          3HG2      VAL  91  -4.961   0.977  10.493
  747   2HG2  VAL  91          2HG2      VAL  91  -5.140   2.730  10.409
  748   3HG2  VAL  91          1HG2      VAL  91  -6.111   1.694   9.363
  749    H    TYR  92           H        TYR  92  -6.191  -0.295   8.885
  750    HA   TYR  92           HA       TYR  92  -7.655  -0.293   6.352
  751   1HB   TYR  92           HB2      TYR  92  -7.538  -2.239   8.146
  752   2HB   TYR  92           HB3      TYR  92  -8.803  -1.302   8.930
  753    HD1  TYR  92           HD1      TYR  92 -10.572  -2.858   8.712
  754    HD2  TYR  92           HD2      TYR  92  -8.396  -1.643   5.264
  755    HE1  TYR  92           HE1      TYR  92 -12.251  -3.940   7.279
  756    HE2  TYR  92           HE2      TYR  92 -10.072  -2.719   3.821
  757    HH   TYR  92           HH       TYR  92 -13.082  -3.784   4.976
  758    H    THR  93           H        THR  93  -7.874   2.009   6.247
  759    HA   THR  93           HA       THR  93  -9.471   3.282   8.362
  760    HB   THR  93           HB       THR  93  -7.476   4.493   7.900
  761    HG1  THR  93           HG1      THR  93  -9.557   5.689   7.990
  762   1HG2  THR  93          1HG2      THR  93  -7.015   3.497   5.690
  763   2HG2  THR  93          3HG2      THR  93  -8.285   4.502   4.989
  764   3HG2  THR  93          2HG2      THR  93  -6.845   5.251   5.680
  765    H    ARG  94           H        ARG  94 -10.858   5.185   7.421
  766    HA   ARG  94           HA       ARG  94 -12.566   4.046   5.310
  767   1HB   ARG  94           HB2      ARG  94 -13.301   6.043   7.457
  768   2HB   ARG  94           HB3      ARG  94 -14.398   5.342   6.276
  769   1HG   ARG  94           HG2      ARG  94 -14.004   3.123   7.245
  770   2HG   ARG  94           HG3      ARG  94 -12.948   3.855   8.455
  771   1HD   ARG  94           HD2      ARG  94 -15.159   3.487   9.382
  772   2HD   ARG  94           HD3      ARG  94 -14.828   5.214   9.255
  773    HE   ARG  94           HE       ARG  94 -16.138   4.566   6.937
  774   1HH1  ARG  94          1HH1      ARG  94 -16.821   4.315  10.345
  775   2HH1  ARG  94          2HH1      ARG  94 -18.534   4.477  10.144
  776   1HH2  ARG  94          1HH2      ARG  94 -18.392   4.781   6.665
  777   2HH2  ARG  94          2HH2      ARG  94 -19.426   4.741   8.053
  778    HA   PRO  95           HA       PRO  95 -10.592   7.552   3.059
  779   1HB   PRO  95           HB2      PRO  95 -12.300   6.219   1.002
  780   2HB   PRO  95           HB3      PRO  95 -10.650   6.837   0.863
  781   1HG   PRO  95           HG2      PRO  95 -11.068   4.230   1.096
  782   2HG   PRO  95           HG3      PRO  95  -9.736   5.002   1.979
  783   1HD   PRO  95           HD2      PRO  95 -12.384   4.060   2.989
  784   2HD   PRO  95           HD3      PRO  95 -10.793   4.013   3.774
  785    H    PHE  96           H        PHE  96 -13.943   6.525   3.244
  786    HA   PHE  96           HA       PHE  96 -15.002   8.965   2.195
  787   1HB   PHE  96           HB2      PHE  96 -16.268   6.612   3.600
  788   2HB   PHE  96           HB3      PHE  96 -17.164   7.951   2.909
  789    HD1  PHE  96           HD1      PHE  96 -14.923   5.142   2.100
  790    HD2  PHE  96           HD2      PHE  96 -17.647   8.048   0.603
  791    HE1  PHE  96           HE1      PHE  96 -14.940   3.997  -0.077
  792    HE2  PHE  96           HE2      PHE  96 -17.670   6.908  -1.578
  793    HZ   PHE  96           HZ       PHE  96 -16.316   4.879  -1.921
  794    H    GLU  97           H        GLU  97 -14.284   7.650   5.363
  795    HA   GLU  97           HA       GLU  97 -15.402  10.086   6.592
  796   1HB   GLU  97           HB2      GLU  97 -14.861   7.448   7.964
  797   2HB   GLU  97           HB3      GLU  97 -15.694   8.841   8.639
  798   1HG   GLU  97           HG2      GLU  97 -16.663   7.151   6.346
  799   2HG   GLU  97           HG3      GLU  97 -17.248   7.080   8.007
  800    H    GLY  98           H        GLY  98 -13.082   7.685   7.783
  801   1HA   GLY  98           HA3      GLY  98 -11.454   9.631   9.044
  802   2HA   GLY  98           HA2      GLY  98 -10.720   9.142   7.523
  803    H    ILE  99           H        ILE  99  -9.260   8.672   9.627
  804    HA   ILE  99           HA       ILE  99  -9.297   5.765   9.791
  805    HB   ILE  99           HB       ILE  99  -7.143   7.514  10.912
  806   1HG1  ILE  99          2HG1      ILE  99  -7.122   6.559   8.063
  807   2HG1  ILE  99          3HG1      ILE  99  -7.826   8.121   8.483
  808   1HG2  ILE  99          3HG2      ILE  99  -7.300   4.719   9.805
  809   2HG2  ILE  99          2HG2      ILE  99  -5.769   5.534  10.134
  810   3HG2  ILE  99          1HG2      ILE  99  -6.900   5.217  11.450
  811   1HD1  ILE  99          3HD1      ILE  99  -4.988   7.256   9.004
  812   2HD1  ILE  99          2HD1      ILE  99  -5.528   8.344   7.725
  813   3HD1  ILE  99          1HD1      ILE  99  -5.685   8.822   9.416
  814    H    LYS 100           H        LYS 100  -9.131   4.636  11.756
  815    HA   LYS 100           HA       LYS 100  -9.675   6.150  14.209
  816   1HB   LYS 100           HB2      LYS 100 -11.236   3.740  14.201
  817   2HB   LYS 100           HB3      LYS 100 -11.766   5.397  14.427
  818   1HG   LYS 100           HG2      LYS 100 -11.766   5.635  11.924
  819   2HG   LYS 100           HG3      LYS 100 -11.503   3.893  11.836
  820   1HD   LYS 100           HD2      LYS 100 -13.786   3.961  11.690
  821   2HD   LYS 100           HD3      LYS 100 -13.592   3.834  13.440
  822   1HE   LYS 100           HE2      LYS 100 -13.748   6.302  13.592
  823   2HE   LYS 100           HE3      LYS 100 -14.064   6.358  11.857
  824   1HZ   LYS 100           HZ3      LYS 100 -15.751   4.972  13.871
  825   2HZ   LYS 100           HZ2      LYS 100 -16.110   6.452  13.135
  826   3HZ   LYS 100           HZ1      LYS 100 -16.053   5.039  12.208
  827    HA   PRO 101           HA       PRO 101  -7.042   3.187  16.136
  828   1HB   PRO 101           HB2      PRO 101  -8.081   2.893  18.597
  829   2HB   PRO 101           HB3      PRO 101  -7.371   4.415  18.057
  830   1HG   PRO 101           HG2      PRO 101 -10.243   3.638  18.270
  831   2HG   PRO 101           HG3      PRO 101  -9.470   5.184  18.653
  832   1HD   PRO 101           HD2      PRO 101 -10.843   4.654  16.333
  833   2HD   PRO 101           HD3      PRO 101  -9.611   5.913  16.500
  834    H    GLU 102           H        GLU 102 -10.447   2.410  16.153
  835    HA   GLU 102           HA       GLU 102 -10.081  -0.346  16.875
  836   1HB   GLU 102           HB2      GLU 102 -12.481  -0.560  16.315
  837   2HB   GLU 102           HB3      GLU 102 -12.155   0.747  17.449
  838   1HG   GLU 102           HG2      GLU 102 -12.271   2.356  15.645
  839   2HG   GLU 102           HG3      GLU 102 -12.562   1.058  14.493
  840    H    ASN 103           H        ASN 103  -8.963   1.080  14.331
  841    HA   ASN 103           HA       ASN 103 -10.004  -0.687  12.261
  842   1HB   ASN 103           HB2      ASN 103  -8.128   1.672  12.216
  843   2HB   ASN 103           HB3      ASN 103  -8.459   0.692  10.792
  844   1HD2  ASN 103          1HD2      ASN 103 -10.998   1.115  13.070
  845   2HD2  ASN 103          2HD2      ASN 103 -11.922   2.253  12.157
  846    H    GLU 104           H        GLU 104  -8.689  -2.082  11.031
  847    HA   GLU 104           HA       GLU 104  -6.795  -3.549  12.469
  848   1HB   GLU 104           HB2      GLU 104  -8.013  -3.601   9.828
  849   2HB   GLU 104           HB3      GLU 104  -6.351  -4.161   9.819
  850   1HG   GLU 104           HG2      GLU 104  -7.641  -6.076  10.168
  851   2HG   GLU 104           HG3      GLU 104  -7.001  -5.659  11.755
  852    H    ARG 105           H        ARG 105  -4.570  -4.010  11.726
  853    HA   ARG 105           HA       ARG 105  -3.200  -1.623  10.677
  854   1HB   ARG 105           HB2      ARG 105  -3.013  -1.706  13.147
  855   2HB   ARG 105           HB3      ARG 105  -2.313  -3.309  13.029
  856   1HG   ARG 105           HG2      ARG 105  -0.399  -2.108  13.243
  857   2HG   ARG 105           HG3      ARG 105  -0.581  -2.040  11.487
  858   1HD   ARG 105           HD2      ARG 105  -0.100   0.167  12.305
  859   2HD   ARG 105           HD3      ARG 105  -1.762   0.112  11.714
  860    HE   ARG 105           HE       ARG 105  -1.841  -0.450  14.428
  861   1HH1  ARG 105          1HH1      ARG 105  -0.937   2.205  12.358
  862   2HH1  ARG 105          2HH1      ARG 105  -1.336   3.420  13.526
  863   1HH2  ARG 105          1HH2      ARG 105  -2.368   1.147  15.973
  864   2HH2  ARG 105          2HH2      ARG 105  -2.148   2.819  15.580
  865    H    TYR 106           H        TYR 106  -1.003  -2.099   9.891
  866    HA   TYR 106           HA       TYR 106   0.011  -4.698   9.581
  867   1HB   TYR 106           HB2      TYR 106  -1.895  -4.938   8.030
  868   2HB   TYR 106           HB3      TYR 106  -1.287  -3.576   7.088
  869    HD1  TYR 106           HD1      TYR 106  -0.631  -7.062   8.099
  870    HD2  TYR 106           HD2      TYR 106   0.507  -3.866   5.532
  871    HE1  TYR 106           HE1      TYR 106   0.739  -8.618   6.779
  872    HE2  TYR 106           HE2      TYR 106   1.881  -5.414   4.203
  873    HH   TYR 106           HH       TYR 106   1.665  -8.784   4.505
  874    H    THR 107           H        THR 107   1.651  -3.303  10.451
  875    HA   THR 107           HA       THR 107   2.879  -1.420   8.589
  876    HB   THR 107           HB       THR 107   4.324  -1.717  11.061
  877    HG1  THR 107           HG1      THR 107   1.563  -1.071  11.351
  878   1HG2  THR 107          2HG2      THR 107   4.261   0.267   9.549
  879   2HG2  THR 107          1HG2      THR 107   2.608   0.564  10.084
  880   3HG2  THR 107          3HG2      THR 107   3.937   0.649  11.240
  881    H    LEU 108           H        LEU 108   3.798  -2.878   7.076
  882    HA   LEU 108           HA       LEU 108   5.461  -5.038   7.862
  883   1HB   LEU 108           HB2      LEU 108   4.498  -5.091   5.680
  884   2HB   LEU 108           HB3      LEU 108   5.201  -3.548   5.259
  885    HG   LEU 108           HG       LEU 108   7.419  -4.508   5.191
  886   1HD1  LEU 108          1HD1      LEU 108   7.190  -6.111   7.010
  887   2HD1  LEU 108          3HD1      LEU 108   6.106  -7.092   6.023
  888   3HD1  LEU 108          2HD1      LEU 108   7.794  -6.896   5.550
  889   1HD2  LEU 108          3HD2      LEU 108   6.024  -4.672   3.183
  890   2HD2  LEU 108          2HD2      LEU 108   7.163  -6.013   3.309
  891   3HD2  LEU 108          1HD2      LEU 108   5.464  -6.258   3.713
  892    H    HIS 109           H        HIS 109   6.941  -4.311   9.348
  893    HA   HIS 109           HA       HIS 109   8.655  -2.081   8.851
  894   1HB   HIS 109           HB2      HIS 109   8.520  -4.210  10.931
  895   2HB   HIS 109           HB3      HIS 109   9.944  -3.184  10.820
  896    HD1  HIS 109           HD1      HIS 109   9.750  -0.820  11.710
  897    HD2  HIS 109           HD2      HIS 109   6.125  -2.852  11.669
  898    HE1  HIS 109           HE1      HIS 109   8.150   0.634  12.995
  899    HE2  HIS 109           HE2      HIS 109   5.942  -0.573  12.879
  900    H    LEU 110           H        LEU 110  10.612  -2.011   8.000
  901    HA   LEU 110           HA       LEU 110  12.012  -4.465   7.285
  902   1HB   LEU 110           HB2      LEU 110  11.235  -2.299   5.336
  903   2HB   LEU 110           HB3      LEU 110  12.398  -3.557   4.988
  904    HG   LEU 110           HG       LEU 110   9.473  -3.996   5.591
  905   1HD1  LEU 110          2HD1      LEU 110  11.042  -4.075   3.020
  906   2HD1  LEU 110          1HD1      LEU 110   9.402  -4.700   3.203
  907   3HD1  LEU 110          3HD1      LEU 110   9.723  -2.981   3.438
  908   1HD2  LEU 110          1HD2      LEU 110  10.914  -5.845   6.341
  909   2HD2  LEU 110          3HD2      LEU 110   9.873  -6.305   4.994
  910   3HD2  LEU 110          2HD2      LEU 110  11.580  -5.965   4.712
  911    H    ASN 111           H        ASN 111  13.822  -4.093   8.478
  912    HA   ASN 111           HA       ASN 111  15.024  -1.484   8.629
  913   1HB   ASN 111           HB2      ASN 111  15.134  -3.084  10.521
  914   2HB   ASN 111           HB3      ASN 111  16.121  -4.158   9.534
  915   1HD2  ASN 111          1HD2      ASN 111  18.237  -3.558   9.024
  916   2HD2  ASN 111          2HD2      ASN 111  19.079  -2.347   9.922
  917    H    VAL 112           H        VAL 112  15.432  -1.007   6.457
  918    HA   VAL 112           HA       VAL 112  16.739  -2.600   4.601
  919    HB   VAL 112           HB       VAL 112  17.031   0.400   4.785
  920   1HG1  VAL 112          1HG1      VAL 112  18.451  -0.660   3.117
  921   2HG1  VAL 112          3HG1      VAL 112  17.053  -1.489   2.435
  922   3HG1  VAL 112          2HG1      VAL 112  17.167   0.268   2.340
  923   1HG2  VAL 112          1HG2      VAL 112  14.677  -0.218   5.027
  924   2HG2  VAL 112          3HG2      VAL 112  14.981   0.563   3.476
  925   3HG2  VAL 112          2HG2      VAL 112  14.779  -1.187   3.557
  926    H    LYS 113           H        LYS 113  18.662  -3.547   4.809
  927    HA   LYS 113           HA       LYS 113  20.706  -2.487   6.524
  928   1HB   LYS 113           HB2      LYS 113  20.626  -4.879   4.685
  929   2HB   LYS 113           HB3      LYS 113  21.993  -4.480   5.709
  930   1HG   LYS 113           HG2      LYS 113  19.211  -5.060   6.698
  931   2HG   LYS 113           HG3      LYS 113  20.546  -6.213   6.678
  932   1HD   LYS 113           HD2      LYS 113  20.569  -3.585   8.160
  933   2HD   LYS 113           HD3      LYS 113  20.194  -5.147   8.891
  934   1HE   LYS 113           HE2      LYS 113  22.415  -5.968   8.284
  935   2HE   LYS 113           HE3      LYS 113  22.791  -4.412   7.546
  936   1HZ   LYS 113           HZ1      LYS 113  22.537  -3.365   9.711
  937   2HZ   LYS 113           HZ3      LYS 113  22.182  -4.862  10.418
  938   3HZ   LYS 113           HZ2      LYS 113  23.717  -4.578   9.766

  No H/Q in entry =         938
  Start of MODEL   36
    1    H1   GLY  -2           HT3      GLY  -2 -20.637 -17.948  16.854
    2    H2   GLY  -2           HT2      GLY  -2 -19.947 -19.486  17.001
    3    H3   GLY  -2           HT1      GLY  -2 -21.622 -19.293  17.141
    4   1HA   GLY  -2           HA2      GLY  -2 -20.636 -19.608  19.316
    5   2HA   GLY  -2           HA3      GLY  -2 -21.353 -18.011  19.162
    6    H    SER  -1           H        SER  -1 -19.016 -19.277  20.727
    7    HA   SER  -1           HA       SER  -1 -16.832 -17.544  19.857
    8   1HB   SER  -1           HB2      SER  -1 -16.568 -16.594  22.121
    9   2HB   SER  -1           HB3      SER  -1 -18.120 -16.155  21.408
   10    HG   SER  -1           HG       SER  -1 -18.362 -18.461  22.752
   11    H    HIS   0           H        HIS   0 -14.971 -18.608  19.952
   12    HA   HIS   0           HA       HIS   0 -14.417 -20.457  22.113
   13   1HB   HIS   0           HB2      HIS   0 -15.570 -21.886  20.478
   14   2HB   HIS   0           HB3      HIS   0 -14.426 -21.391  19.234
   15    HD1  HIS   0           HD1      HIS   0 -12.292 -22.692  19.061
   16    HD2  HIS   0           HD2      HIS   0 -14.369 -23.496  22.569
   17    HE1  HIS   0           HE1      HIS   0 -11.086 -24.624  20.128
   18    HE2  HIS   0           HE2      HIS   0 -12.309 -25.035  22.292
   19    H    MET   1           H        MET   1 -13.244 -19.474  18.891
   20    HA   MET   1           HA       MET   1 -10.504 -19.480  19.871
   21   1HB   MET   1           HB2      MET   1 -11.611 -18.888  17.120
   22   2HB   MET   1           HB3      MET   1  -9.904 -19.008  17.525
   23   1HG   MET   1           HG2      MET   1 -10.214 -21.348  18.149
   24   2HG   MET   1           HG3      MET   1 -11.925 -21.228  17.743
   25   1HE   MET   1           HE1      MET   1 -11.691 -23.343  16.146
   26   2HE   MET   1           HE3      MET   1 -10.488 -23.468  14.862
   27   3HE   MET   1           HE2      MET   1  -9.979 -23.461  16.550
   28    H    ILE   2           H        ILE   2 -13.025 -17.246  19.002
   29    HA   ILE   2           HA       ILE   2 -13.129 -14.967  18.866
   30    HB   ILE   2           HB       ILE   2 -13.087 -15.524  21.332
   31   1HG1  ILE   2          2HG1      ILE   2 -12.017 -12.792  20.595
   32   2HG1  ILE   2          3HG1      ILE   2 -13.690 -13.295  20.377
   33   1HG2  ILE   2          1HG2      ILE   2 -10.249 -14.536  21.095
   34   2HG2  ILE   2          3HG2      ILE   2 -11.120 -14.765  22.611
   35   3HG2  ILE   2          2HG2      ILE   2 -10.770 -16.151  21.579
   36   1HD1  ILE   2          2HD1      ILE   2 -13.904 -13.618  22.786
   37   2HD1  ILE   2          1HD1      ILE   2 -12.230 -13.104  23.000
   38   3HD1  ILE   2          3HD1      ILE   2 -13.430 -11.967  22.385
   39    H    ALA   3           H        ALA   3 -10.866 -16.155  17.415
   40    HA   ALA   3           HA       ALA   3  -8.676 -14.299  17.720
   41   1HB   ALA   3           HB1      ALA   3  -9.136 -16.405  15.610
   42   2HB   ALA   3           HB2      ALA   3  -8.244 -16.628  17.115
   43   3HB   ALA   3           HB3      ALA   3  -7.637 -15.517  15.886
   44    HA   PRO   4           HA       PRO   4 -10.310 -12.751  13.447
   45   1HB   PRO   4           HB2      PRO   4 -12.834 -13.405  12.724
   46   2HB   PRO   4           HB3      PRO   4 -11.438 -14.411  12.319
   47   1HG   PRO   4           HG2      PRO   4 -13.426 -14.728  14.537
   48   2HG   PRO   4           HG3      PRO   4 -12.752 -15.961  13.454
   49   1HD   PRO   4           HD2      PRO   4 -11.852 -15.579  15.983
   50   2HD   PRO   4           HD3      PRO   4 -10.802 -16.140  14.667
   51    H    LEU   5           H        LEU   5 -12.041 -12.861  16.373
   52    HA   LEU   5           HA       LEU   5 -13.691 -10.542  15.788
   53   1HB   LEU   5           HB2      LEU   5 -14.597 -12.350  17.168
   54   2HB   LEU   5           HB3      LEU   5 -13.314 -12.114  18.338
   55    HG   LEU   5           HG       LEU   5 -14.195  -9.829  18.781
   56   1HD1  LEU   5          2HD1      LEU   5 -16.461 -10.722  17.005
   57   2HD1  LEU   5          1HD1      LEU   5 -16.436  -9.257  17.987
   58   3HD1  LEU   5          3HD1      LEU   5 -15.302  -9.442  16.648
   59   1HD2  LEU   5          3HD2      LEU   5 -16.160 -12.083  19.160
   60   2HD2  LEU   5          2HD2      LEU   5 -14.805 -11.692  20.220
   61   3HD2  LEU   5          1HD2      LEU   5 -16.150 -10.563  20.054
   62    H    SER   6           H        SER   6 -11.016 -11.391  17.971
   63    HA   SER   6           HA       SER   6 -10.186  -8.586  17.952
   64   1HB   SER   6           HB2      SER   6  -9.821  -8.611  20.396
   65   2HB   SER   6           HB3      SER   6 -11.523  -8.831  19.988
   66    HG   SER   6           HG       SER   6 -11.459 -10.825  20.723
   67    H    VAL   7           H        VAL   7  -7.972  -8.261  18.581
   68    HA   VAL   7           HA       VAL   7  -5.749  -8.734  18.588
   69    HB   VAL   7           HB       VAL   7  -6.603 -11.535  19.336
   70   1HG1  VAL   7          3HG1      VAL   7  -3.927 -10.160  19.560
   71   2HG1  VAL   7          2HG1      VAL   7  -4.317 -11.747  20.222
   72   3HG1  VAL   7          1HG1      VAL   7  -4.335 -11.492  18.477
   73   1HG2  VAL   7          3HG2      VAL   7  -7.410  -9.883  20.932
   74   2HG2  VAL   7          2HG2      VAL   7  -6.109 -10.844  21.636
   75   3HG2  VAL   7          1HG2      VAL   7  -5.788  -9.205  21.071
   76    H    LYS   8           H        LYS   8  -4.260  -9.205  17.052
   77    HA   LYS   8           HA       LYS   8  -4.403 -11.365  15.250
   78   1HB   LYS   8           HB2      LYS   8  -6.286 -10.067  14.324
   79   2HB   LYS   8           HB3      LYS   8  -5.223  -8.685  14.111
   80   1HG   LYS   8           HG2      LYS   8  -5.515  -9.791  12.005
   81   2HG   LYS   8           HG3      LYS   8  -3.853 -10.022  12.553
   82   1HD   LYS   8           HD2      LYS   8  -4.424 -12.258  13.358
   83   2HD   LYS   8           HD3      LYS   8  -6.091 -12.027  12.827
   84   1HE   LYS   8           HE2      LYS   8  -3.653 -12.035  11.052
   85   2HE   LYS   8           HE3      LYS   8  -4.814 -13.352  11.217
   86   1HZ   LYS   8           HZ3      LYS   8  -6.535 -11.893  10.348
   87   2HZ   LYS   8           HZ2      LYS   8  -5.419 -10.632  10.188
   88   3HZ   LYS   8           HZ1      LYS   8  -5.255 -12.028   9.249
   89    H    ASP   9           H        ASP   9  -2.466 -11.653  14.311
   90    HA   ASP   9           HA       ASP   9  -0.364  -9.784  14.983
   91   1HB   ASP   9           HB2      ASP   9  -0.088 -12.269  15.193
   92   2HB   ASP   9           HB3      ASP   9  -0.145 -12.368  13.435
   93    H    ASN  10           H        ASN  10   0.088  -8.125  13.718
   94    HA   ASN  10           HA       ASN  10  -0.149  -8.453  10.810
   95   1HB   ASN  10           HB2      ASN  10  -0.377  -5.762  11.190
   96   2HB   ASN  10           HB3      ASN  10  -1.729  -6.867  10.971
   97   1HD2  ASN  10          1HD2      ASN  10   0.022  -4.867  13.157
   98   2HD2  ASN  10          2HD2      ASN  10  -1.068  -4.993  14.492
   99    H    ASP  11           H        ASP  11   1.075  -5.783  12.696
  100    HA   ASP  11           HA       ASP  11   3.108  -4.862  11.330
  101   1HB   ASP  11           HB2      ASP  11   3.552  -5.504  14.240
  102   2HB   ASP  11           HB3      ASP  11   4.159  -4.128  13.326
  103    H    LYS  12           H        LYS  12   4.398  -6.001  10.053
  104    HA   LYS  12           HA       LYS  12   5.752  -8.374  11.046
  105   1HB   LYS  12           HB2      LYS  12   4.783  -8.600   8.866
  106   2HB   LYS  12           HB3      LYS  12   5.541  -7.115   8.311
  107   1HG   LYS  12           HG2      LYS  12   6.914  -8.653   7.354
  108   2HG   LYS  12           HG3      LYS  12   7.743  -8.397   8.888
  109   1HD   LYS  12           HD2      LYS  12   5.719 -10.586   8.503
  110   2HD   LYS  12           HD3      LYS  12   7.428 -10.811   8.132
  111   1HE   LYS  12           HE2      LYS  12   7.981 -10.185  10.456
  112   2HE   LYS  12           HE3      LYS  12   6.258 -10.066  10.808
  113   1HZ   LYS  12           HZ1      LYS  12   7.669 -12.522   9.918
  114   2HZ   LYS  12           HZ3      LYS  12   7.156 -12.196  11.499
  115   3HZ   LYS  12           HZ2      LYS  12   6.018 -12.405  10.265
  116    H    TRP  13           H        TRP  13   7.234  -7.490  12.488
  117    HA   TRP  13           HA       TRP  13   9.050  -5.416  11.726
  118   1HB   TRP  13           HB2      TRP  13   9.411  -7.241  14.084
  119   2HB   TRP  13           HB3      TRP  13   9.836  -5.544  13.919
  120    HD1  TRP  13           HD1      TRP  13   6.761  -7.791  14.441
  121    HE1  TRP  13           HE1      TRP  13   4.871  -6.381  15.468
  122    HE3  TRP  13           HE3      TRP  13   9.004  -3.195  14.303
  123    HZ2  TRP  13           HZ2      TRP  13   4.377  -3.678  16.123
  124    HZ3  TRP  13           HZ3      TRP  13   7.759  -1.253  15.159
  125    HH2  TRP  13           HH2      TRP  13   5.500  -1.491  16.056
  126    H    VAL  14           H        VAL  14  10.416  -5.926  10.078
  127    HA   VAL  14           HA       VAL  14  12.340  -8.073  10.595
  128    HB   VAL  14           HB       VAL  14  12.102  -9.004   8.306
  129   1HG1  VAL  14          3HG1      VAL  14   9.650  -9.224  10.046
  130   2HG1  VAL  14          2HG1      VAL  14  10.111 -10.355   8.773
  131   3HG1  VAL  14          1HG1      VAL  14  11.129 -10.171  10.202
  132   1HG2  VAL  14          2HG2      VAL  14   9.572  -7.365   8.250
  133   2HG2  VAL  14          1HG2      VAL  14  10.997  -7.126   7.237
  134   3HG2  VAL  14          3HG2      VAL  14  10.026  -8.589   7.064
  135    H    ASP  15           H        ASP  15  13.759  -8.219   8.445
  136    HA   ASP  15           HA       ASP  15  14.816  -5.516   8.063
  137   1HB   ASP  15           HB2      ASP  15  15.939  -8.263   8.086
  138   2HB   ASP  15           HB3      ASP  15  16.712  -7.098   7.009
  139    H    THR  16           H        THR  16  16.169  -5.661   5.731
  140    HA   THR  16           HA       THR  16  14.802  -6.908   3.597
  141    HB   THR  16           HB       THR  16  13.157  -5.070   4.443
  142    HG1  THR  16           HG1      THR  16  13.382  -4.666   1.755
  143   1HG2  THR  16          2HG2      THR  16  14.810  -3.252   4.478
  144   2HG2  THR  16          1HG2      THR  16  15.006  -3.411   2.734
  145   3HG2  THR  16          3HG2      THR  16  13.460  -2.895   3.403
  146    H    HIS  17           H        HIS  17  15.207  -5.453   1.473
  147    HA   HIS  17           HA       HIS  17  18.042  -4.654   1.551
  148   1HB   HIS  17           HB2      HIS  17  16.449  -6.118  -0.549
  149   2HB   HIS  17           HB3      HIS  17  17.985  -5.345  -0.924
  150    HD1  HIS  17           HD1      HIS  17  16.525  -8.390   0.507
  151    HD2  HIS  17           HD2      HIS  17  20.232  -6.515   0.474
  152    HE1  HIS  17           HE1      HIS  17  18.169 -10.137   1.262
  153    HE2  HIS  17           HE2      HIS  17  20.391  -8.953   1.321
  154    H    VAL  18           H        VAL  18  18.108  -3.609  -1.095
  155    HA   VAL  18           HA       VAL  18  16.556  -1.159  -0.648
  156    HB   VAL  18           HB       VAL  18  18.869  -1.573  -2.546
  157   1HG1  VAL  18          2HG1      VAL  18  17.475   0.928  -1.593
  158   2HG1  VAL  18          1HG1      VAL  18  18.932   0.890  -2.586
  159   3HG1  VAL  18          3HG1      VAL  18  17.416   0.248  -3.218
  160   1HG2  VAL  18          2HG2      VAL  18  19.579  -1.870  -0.231
  161   2HG2  VAL  18          1HG2      VAL  18  20.216  -0.367  -0.898
  162   3HG2  VAL  18          3HG2      VAL  18  18.838  -0.330   0.202
  163    H    GLY  19           H        GLY  19  14.832  -0.752  -1.799
  164   1HA   GLY  19           HA3      GLY  19  14.614  -1.062  -4.590
  165   2HA   GLY  19           HA2      GLY  19  13.294  -0.728  -3.488
  166    H    LYS  20           H        LYS  20  14.381  -3.423  -2.177
  167    HA   LYS  20           HA       LYS  20  13.711  -5.456  -4.002
  168   1HB   LYS  20           HB2      LYS  20  14.778  -5.434  -1.516
  169   2HB   LYS  20           HB3      LYS  20  13.149  -5.957  -1.141
  170   1HG   LYS  20           HG2      LYS  20  14.151  -7.969  -1.470
  171   2HG   LYS  20           HG3      LYS  20  13.577  -7.637  -3.108
  172   1HD   LYS  20           HD2      LYS  20  15.720  -6.892  -3.798
  173   2HD   LYS  20           HD3      LYS  20  16.298  -6.848  -2.137
  174   1HE   LYS  20           HE2      LYS  20  17.181  -8.791  -3.328
  175   2HE   LYS  20           HE3      LYS  20  16.128  -9.280  -2.001
  176   1HZ   LYS  20           HZ2      LYS  20  14.342  -9.620  -3.595
  177   2HZ   LYS  20           HZ1      LYS  20  15.356  -9.156  -4.866
  178   3HZ   LYS  20           HZ3      LYS  20  15.686 -10.567  -3.991
  179    H    THR  21           H        THR  21  11.839  -4.715  -5.036
  180    HA   THR  21           HA       THR  21   9.483  -3.827  -4.014
  181    HB   THR  21           HB       THR  21   9.564  -5.837  -6.258
  182    HG1  THR  21           HG1      THR  21   9.760  -3.597  -7.406
  183   1HG2  THR  21          3HG2      THR  21   7.342  -5.118  -5.527
  184   2HG2  THR  21          2HG2      THR  21   7.816  -3.431  -5.724
  185   3HG2  THR  21          1HG2      THR  21   7.712  -4.489  -7.133
  186    H    THR  22           H        THR  22   8.656  -4.651  -2.178
  187    HA   THR  22           HA       THR  22   8.255  -7.528  -1.925
  188    HB   THR  22           HB       THR  22   7.745  -5.270   0.026
  189    HG1  THR  22           HG1      THR  22   9.511  -6.552   1.113
  190   1HG2  THR  22          3HG2      THR  22   7.491  -8.253   0.438
  191   2HG2  THR  22          2HG2      THR  22   7.369  -7.027   1.701
  192   3HG2  THR  22          1HG2      THR  22   6.163  -7.092   0.416
  193    H    GLU  23           H        GLU  23   6.602  -8.201  -3.103
  194    HA   GLU  23           HA       GLU  23   4.172  -6.679  -3.353
  195   1HB   GLU  23           HB2      GLU  23   5.131  -7.869  -5.270
  196   2HB   GLU  23           HB3      GLU  23   4.957  -9.394  -4.412
  197   1HG   GLU  23           HG2      GLU  23   2.576  -9.225  -4.456
  198   2HG   GLU  23           HG3      GLU  23   2.669  -7.589  -5.104
  199    H    ILE  24           H        ILE  24   2.343  -7.006  -2.277
  200    HA   ILE  24           HA       ILE  24   1.971  -9.503  -0.790
  201    HB   ILE  24           HB       ILE  24   1.504  -6.777   0.396
  202   1HG1  ILE  24          2HG1      ILE  24   3.663  -8.815   0.950
  203   2HG1  ILE  24          3HG1      ILE  24   3.891  -7.227   0.231
  204   1HG2  ILE  24          3HG2      ILE  24  -0.066  -8.498   1.155
  205   2HG2  ILE  24          2HG2      ILE  24   1.292  -9.522   1.625
  206   3HG2  ILE  24          1HG2      ILE  24   1.016  -7.989   2.452
  207   1HD1  ILE  24          3HD1      ILE  24   3.173  -6.185   2.324
  208   2HD1  ILE  24          2HD1      ILE  24   2.989  -7.784   3.045
  209   3HD1  ILE  24          1HD1      ILE  24   4.582  -7.222   2.543
  210    H    HIS  25           H        HIS  25   0.242 -10.280  -1.848
  211    HA   HIS  25           HA       HIS  25  -1.905  -8.587  -2.734
  212   1HB   HIS  25           HB2      HIS  25  -1.994 -11.593  -2.572
  213   2HB   HIS  25           HB3      HIS  25  -2.857 -10.533  -3.675
  214    HD1  HIS  25           HD1      HIS  25  -0.254 -12.850  -3.786
  215    HD2  HIS  25           HD2      HIS  25  -0.703  -9.006  -5.296
  216    HE1  HIS  25           HE1      HIS  25   1.426 -12.659  -5.647
  217    HE2  HIS  25           HE2      HIS  25   1.066 -10.359  -6.610
  218    H    LEU  26           H        LEU  26  -2.883  -7.647  -1.008
  219    HA   LEU  26           HA       LEU  26  -3.686  -9.250   1.285
  220   1HB   LEU  26           HB2      LEU  26  -4.149  -6.332   0.710
  221   2HB   LEU  26           HB3      LEU  26  -4.437  -7.136   2.238
  222    HG   LEU  26           HG       LEU  26  -1.696  -6.972   0.997
  223   1HD1  LEU  26          3HD1      LEU  26  -2.524  -4.703   1.325
  224   2HD1  LEU  26          2HD1      LEU  26  -2.952  -5.091   2.991
  225   3HD1  LEU  26          1HD1      LEU  26  -1.260  -5.089   2.492
  226   1HD2  LEU  26          2HD2      LEU  26  -2.149  -8.691   2.749
  227   2HD2  LEU  26          1HD2      LEU  26  -0.915  -7.512   3.192
  228   3HD2  LEU  26          3HD2      LEU  26  -2.542  -7.378   3.861
  229    H    LYS  27           H        LYS  27  -5.802  -9.654   1.862
  230    HA   LYS  27           HA       LYS  27  -7.718  -9.405  -0.332
  231   1HB   LYS  27           HB2      LYS  27  -8.068 -11.008   2.195
  232   2HB   LYS  27           HB3      LYS  27  -8.968 -11.157   0.693
  233   1HG   LYS  27           HG2      LYS  27  -6.823 -11.849  -0.414
  234   2HG   LYS  27           HG3      LYS  27  -6.104 -11.919   1.197
  235   1HD   LYS  27           HD2      LYS  27  -7.779 -13.567   1.881
  236   2HD   LYS  27           HD3      LYS  27  -8.503 -13.498   0.273
  237   1HE   LYS  27           HE2      LYS  27  -6.408 -14.304  -0.703
  238   2HE   LYS  27           HE3      LYS  27  -5.688 -14.378   0.904
  239   1HZ   LYS  27           HZ2      LYS  27  -8.034 -15.953  -0.009
  240   2HZ   LYS  27           HZ1      LYS  27  -6.462 -16.547   0.178
  241   3HZ   LYS  27           HZ3      LYS  27  -7.337 -16.027   1.530
  242    H    GLY  28           H        GLY  28 -10.026  -9.022   0.323
  243   1HA   GLY  28           HA3      GLY  28 -10.186  -6.502   1.624
  244   2HA   GLY  28           HA2      GLY  28 -10.803  -7.771   2.669
  245    H    ASN  29           H        ASN  29 -12.212  -5.519   1.465
  246    HA   ASN  29           HA       ASN  29 -13.788  -6.311  -0.723
  247   1HB   ASN  29           HB2      ASN  29 -14.562  -8.028   0.916
  248   2HB   ASN  29           HB3      ASN  29 -15.134  -6.727   1.954
  249   1HD2  ASN  29          1HD2      ASN  29 -17.250  -7.450   1.843
  250   2HD2  ASN  29          2HD2      ASN  29 -18.218  -7.253   0.426
  251    HA   PRO  30           HA       PRO  30 -13.940  -1.823   0.206
  252   1HB   PRO  30           HB2      PRO  30 -14.899  -1.247  -2.336
  253   2HB   PRO  30           HB3      PRO  30 -13.198  -1.277  -1.867
  254   1HG   PRO  30           HG2      PRO  30 -14.829  -3.379  -3.224
  255   2HG   PRO  30           HG3      PRO  30 -13.147  -2.897  -3.517
  256   1HD   PRO  30           HD2      PRO  30 -13.731  -5.123  -2.156
  257   2HD   PRO  30           HD3      PRO  30 -12.354  -4.101  -1.695
  258    H    THR  31           H        THR  31 -16.384  -4.066  -0.755
  259    HA   THR  31           HA       THR  31 -18.540  -2.146  -0.639
  260    HB   THR  31           HB       THR  31 -20.028  -4.048  -0.975
  261    HG1  THR  31           HG1      THR  31 -18.579  -5.510   0.295
  262   1HG2  THR  31          1HG2      THR  31 -18.954  -3.072  -2.940
  263   2HG2  THR  31          3HG2      THR  31 -17.589  -4.173  -2.751
  264   3HG2  THR  31          2HG2      THR  31 -19.185  -4.807  -3.150
  265    H    THR  32           H        THR  32 -16.674  -3.168   1.722
  266    HA   THR  32           HA       THR  32 -18.798  -3.847   3.622
  267    HB   THR  32           HB       THR  32 -16.979  -4.318   5.221
  268    HG1  THR  32           HG1      THR  32 -14.841  -4.449   3.798
  269   1HG2  THR  32          3HG2      THR  32 -16.653  -5.675   2.543
  270   2HG2  THR  32          2HG2      THR  32 -16.069  -6.301   4.085
  271   3HG2  THR  32          1HG2      THR  32 -17.801  -6.122   3.804
  272    H    GLY  33           H        GLY  33 -15.938  -1.698   3.592
  273   1HA   GLY  33           HA3      GLY  33 -17.104  -0.029   5.639
  274   2HA   GLY  33           HA2      GLY  33 -17.093   0.709   4.046
  275    H    TYR  34           H        TYR  34 -14.550  -1.470   5.036
  276    HA   TYR  34           HA       TYR  34 -12.790   0.816   5.561
  277   1HB   TYR  34           HB2      TYR  34 -12.498  -2.112   6.223
  278   2HB   TYR  34           HB3      TYR  34 -11.216  -0.932   6.463
  279    HD1  TYR  34           HD1      TYR  34 -14.583  -1.960   7.552
  280    HD2  TYR  34           HD2      TYR  34 -11.246   0.574   8.331
  281    HE1  TYR  34           HE1      TYR  34 -15.509  -1.429   9.767
  282    HE2  TYR  34           HE2      TYR  34 -12.169   1.106  10.546
  283    HH   TYR  34           HH       TYR  34 -14.713  -0.637  11.953
  284    H    MET  35           H        MET  35 -10.413   0.296   4.928
  285    HA   MET  35           HA       MET  35 -10.157  -1.006   2.350
  286   1HB   MET  35           HB2      MET  35 -10.570   1.079   1.454
  287   2HB   MET  35           HB3      MET  35  -9.984   1.920   2.882
  288   1HG   MET  35           HG2      MET  35  -7.675   1.247   2.228
  289   2HG   MET  35           HG3      MET  35  -8.345   0.638   0.734
  290   1HE   MET  35           HE3      MET  35 -10.653   2.668   0.248
  291   2HE   MET  35           HE2      MET  35  -9.991   4.069  -0.593
  292   3HE   MET  35           HE1      MET  35  -9.607   2.443  -1.153
  293    H    TRP  36           H        TRP  36  -8.020  -1.560   1.874
  294    HA   TRP  36           HA       TRP  36  -6.227  -1.490   4.177
  295   1HB   TRP  36           HB2      TRP  36  -6.540  -3.238   1.814
  296   2HB   TRP  36           HB3      TRP  36  -4.893  -2.958   2.354
  297    HD1  TRP  36           HD1      TRP  36  -7.640  -5.276   2.901
  298    HE1  TRP  36           HE1      TRP  36  -7.381  -6.552   5.120
  299    HE3  TRP  36           HE3      TRP  36  -4.048  -2.374   5.083
  300    HZ2  TRP  36           HZ2      TRP  36  -5.857  -6.350   7.486
  301    HZ3  TRP  36           HZ3      TRP  36  -3.244  -2.982   7.325
  302    HH2  TRP  36           HH2      TRP  36  -4.133  -4.928   8.501
  303    H    THR  37           H        THR  37  -5.760   0.713   3.994
  304    HA   THR  37           HA       THR  37  -3.927   1.412   1.791
  305    HB   THR  37           HB       THR  37  -5.922   2.647   1.396
  306    HG1  THR  37           HG1      THR  37  -4.728   4.675   2.855
  307   1HG2  THR  37          2HG2      THR  37  -6.827   2.214   3.726
  308   2HG2  THR  37          1HG2      THR  37  -5.892   3.609   4.260
  309   3HG2  THR  37          3HG2      THR  37  -7.166   3.810   3.058
  310    H    ARG  38           H        ARG  38  -2.098   2.653   2.335
  311    HA   ARG  38           HA       ARG  38  -0.893   2.262   4.788
  312   1HB   ARG  38           HB2      ARG  38  -0.410   4.426   2.727
  313   2HB   ARG  38           HB3      ARG  38   0.606   4.180   4.125
  314   1HG   ARG  38           HG2      ARG  38   1.121   1.909   3.330
  315   2HG   ARG  38           HG3      ARG  38   0.160   2.232   1.885
  316   1HD   ARG  38           HD2      ARG  38   2.883   2.943   2.438
  317   2HD   ARG  38           HD3      ARG  38   1.990   3.098   0.941
  318    HE   ARG  38           HE       ARG  38   1.435   5.313   1.555
  319   1HH1  ARG  38          1HH1      ARG  38   3.499   3.724   3.867
  320   2HH1  ARG  38          2HH1      ARG  38   3.941   5.189   4.679
  321   1HH2  ARG  38          1HH2      ARG  38   2.001   7.253   2.635
  322   2HH2  ARG  38          2HH2      ARG  38   3.092   7.192   3.978
  323    H    VAL  39           H        VAL  39  -0.031   4.286   6.095
  324    HA   VAL  39           HA       VAL  39  -2.380   5.429   7.318
  325    HB   VAL  39           HB       VAL  39   0.521   5.879   8.022
  326   1HG1  VAL  39          3HG1      VAL  39  -2.012   6.345   9.597
  327   2HG1  VAL  39          2HG1      VAL  39  -0.371   6.536  10.214
  328   3HG1  VAL  39          1HG1      VAL  39  -0.956   7.589   8.926
  329   1HG2  VAL  39          2HG2      VAL  39  -0.321   3.489   8.046
  330   2HG2  VAL  39          1HG2      VAL  39   0.365   4.100   9.553
  331   3HG2  VAL  39          3HG2      VAL  39  -1.386   3.986   9.363
  332    H    GLY  40           H        GLY  40  -3.281   7.034   6.181
  333   1HA   GLY  40           HA3      GLY  40  -1.622   9.421   5.752
  334   2HA   GLY  40           HA2      GLY  40  -3.366   9.412   5.940
  335    H    PHE  41           H        PHE  41  -2.253   6.945   3.844
  336    HA   PHE  41           HA       PHE  41  -2.151   8.580   1.506
  337   1HB   PHE  41           HB2      PHE  41  -1.108   6.824   0.654
  338   2HB   PHE  41           HB3      PHE  41  -1.363   5.985   2.159
  339    HD1  PHE  41           HD1      PHE  41  -4.027   6.665  -0.387
  340    HD2  PHE  41           HD2      PHE  41  -1.412   3.831   1.394
  341    HE1  PHE  41           HE1      PHE  41  -5.164   4.864  -1.601
  342    HE2  PHE  41           HE2      PHE  41  -2.551   2.019   0.188
  343    HZ   PHE  41           HZ       PHE  41  -4.430   2.533  -1.315
  344    H    VAL  42           H        VAL  42  -4.609   6.490   2.974
  345    HA   VAL  42           HA       VAL  42  -6.567   6.165   1.255
  346    HB   VAL  42           HB       VAL  42  -7.017   5.796   3.576
  347   1HG1  VAL  42          1HG1      VAL  42  -5.741   7.683   4.475
  348   2HG1  VAL  42          3HG1      VAL  42  -7.013   8.788   3.954
  349   3HG1  VAL  42          2HG1      VAL  42  -7.349   7.576   5.190
  350   1HG2  VAL  42          2HG2      VAL  42  -8.957   6.212   2.116
  351   2HG2  VAL  42          1HG2      VAL  42  -9.261   6.657   3.796
  352   3HG2  VAL  42          3HG2      VAL  42  -8.932   7.908   2.597
  353    H    GLY  43           H        GLY  43  -6.472   7.470  -0.579
  354   1HA   GLY  43           HA3      GLY  43  -7.869  10.025  -0.361
  355   2HA   GLY  43           HA2      GLY  43  -7.516   9.153  -1.847
  356    H    LYS  44           H        LYS  44  -4.845   8.799  -1.774
  357    HA   LYS  44           HA       LYS  44  -3.650  11.472  -1.448
  358   1HB   LYS  44           HB2      LYS  44  -1.497  10.156  -1.456
  359   2HB   LYS  44           HB3      LYS  44  -2.546   9.827  -0.087
  360   1HG   LYS  44           HG2      LYS  44  -1.787   7.741  -0.760
  361   2HG   LYS  44           HG3      LYS  44  -3.412   7.858  -1.420
  362   1HD   LYS  44           HD2      LYS  44  -1.718   8.873  -3.397
  363   2HD   LYS  44           HD3      LYS  44  -0.924   7.432  -2.777
  364   1HE   LYS  44           HE2      LYS  44  -2.387   6.877  -4.640
  365   2HE   LYS  44           HE3      LYS  44  -2.969   6.145  -3.146
  366   1HZ   LYS  44           HZ3      LYS  44  -4.493   8.118  -2.969
  367   2HZ   LYS  44           HZ2      LYS  44  -4.068   8.497  -4.562
  368   3HZ   LYS  44           HZ1      LYS  44  -4.839   7.033  -4.221
  369    H    ASP  45           H        ASP  45  -1.380  11.108  -2.886
  370    HA   ASP  45           HA       ASP  45  -2.240  10.738  -5.669
  371   1HB   ASP  45           HB2      ASP  45  -0.224  12.596  -4.400
  372   2HB   ASP  45           HB3      ASP  45  -0.233  12.259  -6.121
  373    H    VAL  46           H        VAL  46   0.101  10.165  -3.183
  374    HA   VAL  46           HA       VAL  46   1.086   7.755  -4.435
  375    HB   VAL  46           HB       VAL  46   2.743  10.216  -4.199
  376   1HG1  VAL  46          3HG1      VAL  46   3.809   7.448  -3.645
  377   2HG1  VAL  46          2HG1      VAL  46   4.813   8.841  -4.041
  378   3HG1  VAL  46          1HG1      VAL  46   3.850   8.841  -2.565
  379   1HG2  VAL  46          3HG2      VAL  46   2.030   9.354  -6.360
  380   2HG2  VAL  46          2HG2      VAL  46   3.786   9.281  -6.195
  381   3HG2  VAL  46          1HG2      VAL  46   2.819   7.815  -6.010
  382    H    LEU  47           H        LEU  47   1.037   6.309  -2.892
  383    HA   LEU  47           HA       LEU  47   0.549   6.775  -0.220
  384   1HB   LEU  47           HB2      LEU  47   2.222   4.421  -0.893
  385   2HB   LEU  47           HB3      LEU  47   0.797   4.525   0.116
  386    HG   LEU  47           HG       LEU  47   0.915   4.371  -2.889
  387   1HD1  LEU  47          1HD1      LEU  47  -0.261   2.616  -0.733
  388   2HD1  LEU  47          3HD1      LEU  47  -0.512   2.377  -2.465
  389   3HD1  LEU  47          2HD1      LEU  47   1.109   2.243  -1.783
  390   1HD2  LEU  47          2HD2      LEU  47  -1.011   5.750  -1.354
  391   2HD2  LEU  47          1HD2      LEU  47  -1.050   5.360  -3.074
  392   3HD2  LEU  47          3HD2      LEU  47  -1.750   4.243  -1.904
  393    H    SER  48           H        SER  48   3.645   5.728  -1.573
  394    HA   SER  48           HA       SER  48   5.166   6.234   0.732
  395   1HB   SER  48           HB2      SER  48   7.097   5.955  -0.767
  396   2HB   SER  48           HB3      SER  48   5.889   4.707  -1.031
  397    HG   SER  48           HG       SER  48   6.916   6.104  -2.875
  398    H    ASP  49           H        ASP  49   7.387   7.625  -0.154
  399    HA   ASP  49           HA       ASP  49   6.566  10.268  -1.006
  400   1HB   ASP  49           HB2      ASP  49   7.593   9.714   1.774
  401   2HB   ASP  49           HB3      ASP  49   7.694  11.307   1.027
  402    H    GLU  50           H        GLU  50   9.349   9.312   0.944
  403    HA   GLU  50           HA       GLU  50  11.072   9.469  -1.416
  404   1HB   GLU  50           HB2      GLU  50  12.592  10.982  -0.309
  405   2HB   GLU  50           HB3      GLU  50  10.978  11.682  -0.311
  406   1HG   GLU  50           HG2      GLU  50  10.653  11.015   1.996
  407   2HG   GLU  50           HG3      GLU  50  12.251  10.269   2.017
  408    H    ILE  51           H        ILE  51  10.550   8.429   1.882
  409    HA   ILE  51           HA       ILE  51  13.052   7.086   2.194
  410    HB   ILE  51           HB       ILE  51  10.499   6.608   3.724
  411   1HG1  ILE  51          2HG1      ILE  51  11.158   9.012   3.649
  412   2HG1  ILE  51          3HG1      ILE  51  11.193   8.309   5.260
  413   1HG2  ILE  51          3HG2      ILE  51  13.394   6.116   4.396
  414   2HG2  ILE  51          2HG2      ILE  51  12.057   5.956   5.535
  415   3HG2  ILE  51          1HG2      ILE  51  12.142   4.904   4.123
  416   1HD1  ILE  51          1HD1      ILE  51  13.598   8.730   3.503
  417   2HD1  ILE  51          3HD1      ILE  51  13.102   9.785   4.826
  418   3HD1  ILE  51          2HD1      ILE  51  13.602   8.127   5.161
  419    H    LEU  52           H        LEU  52  10.016   5.425   2.691
  420    HA   LEU  52           HA       LEU  52  11.037   3.184   1.119
  421   1HB   LEU  52           HB2      LEU  52   9.748   3.344   3.567
  422   2HB   LEU  52           HB3      LEU  52   8.498   2.775   2.476
  423    HG   LEU  52           HG       LEU  52  11.172   1.479   2.962
  424   1HD1  LEU  52          2HD1      LEU  52   9.577   1.180   4.784
  425   2HD1  LEU  52          1HD1      LEU  52   8.374   0.588   3.638
  426   3HD1  LEU  52          3HD1      LEU  52   9.851  -0.334   3.922
  427   1HD2  LEU  52          3HD2      LEU  52   8.933   0.715   1.101
  428   2HD2  LEU  52          2HD2      LEU  52  10.574   1.178   0.657
  429   3HD2  LEU  52          1HD2      LEU  52  10.288  -0.333   1.520
  430    H    GLU  53           H        GLU  53  10.482   3.252  -0.989
  431    HA   GLU  53           HA       GLU  53   8.250   4.620  -2.015
  432   1HB   GLU  53           HB2      GLU  53  10.428   3.559  -3.163
  433   2HB   GLU  53           HB3      GLU  53   9.292   2.262  -3.498
  434   1HG   GLU  53           HG2      GLU  53   8.730   5.125  -4.193
  435   2HG   GLU  53           HG3      GLU  53   9.556   4.015  -5.280
  436    H    VAL  54           H        VAL  54   6.238   3.838  -2.755
  437    HA   VAL  54           HA       VAL  54   5.526   1.099  -2.066
  438    HB   VAL  54           HB       VAL  54   3.808   3.350  -1.033
  439   1HG1  VAL  54          1HG1      VAL  54   2.684   1.227  -1.466
  440   2HG1  VAL  54          3HG1      VAL  54   3.857   0.393  -0.448
  441   3HG1  VAL  54          2HG1      VAL  54   2.752   1.570   0.262
  442   1HG2  VAL  54          3HG2      VAL  54   5.949   3.421   0.145
  443   2HG2  VAL  54          2HG2      VAL  54   4.654   2.861   1.201
  444   3HG2  VAL  54          1HG2      VAL  54   5.800   1.705   0.523
  445    H    VAL  55           H        VAL  55   4.121   0.231  -3.424
  446    HA   VAL  55           HA       VAL  55   2.427   1.957  -5.073
  447    HB   VAL  55           HB       VAL  55   4.016  -0.335  -6.211
  448   1HG1  VAL  55          1HG1      VAL  55   1.780   0.148  -7.206
  449   2HG1  VAL  55          3HG1      VAL  55   2.372   1.755  -7.624
  450   3HG1  VAL  55          2HG1      VAL  55   3.127   0.326  -8.332
  451   1HG2  VAL  55          1HG2      VAL  55   4.439   2.632  -6.545
  452   2HG2  VAL  55          3HG2      VAL  55   5.503   1.517  -5.689
  453   3HG2  VAL  55          2HG2      VAL  55   5.293   1.370  -7.433
  454    H    CYS  56           H        CYS  56   0.738   1.269  -3.777
  455    HA   CYS  56           HA       CYS  56   0.117  -1.577  -3.706
  456   1HB   CYS  56           HB2      CYS  56  -0.100  -0.270  -1.618
  457   2HB   CYS  56           HB3      CYS  56  -1.324   0.720  -2.403
  458    HG   CYS  56           HG       CYS  56  -2.030  -2.530  -2.528
  459    H    LYS  57           H        LYS  57  -0.614  -2.101  -5.679
  460    HA   LYS  57           HA       LYS  57  -2.468  -0.529  -7.156
  461   1HB   LYS  57           HB2      LYS  57  -1.948  -3.467  -7.494
  462   2HB   LYS  57           HB3      LYS  57  -2.520  -2.337  -8.707
  463   1HG   LYS  57           HG2      LYS  57  -0.352  -1.205  -8.678
  464   2HG   LYS  57           HG3      LYS  57   0.226  -2.357  -7.472
  465   1HD   LYS  57           HD2      LYS  57  -0.115  -4.190  -9.054
  466   2HD   LYS  57           HD3      LYS  57  -0.704  -3.043 -10.260
  467   1HE   LYS  57           HE2      LYS  57   1.469  -1.915 -10.244
  468   2HE   LYS  57           HE3      LYS  57   2.056  -3.064  -9.043
  469   1HZ   LYS  57           HZ3      LYS  57   1.728  -4.847 -10.640
  470   2HZ   LYS  57           HZ2      LYS  57   1.167  -3.744 -11.794
  471   3HZ   LYS  57           HZ1      LYS  57   2.772  -3.670 -11.264
  472    H    TYR  58           H        TYR  58  -3.918  -0.255  -5.307
  473    HA   TYR  58           HA       TYR  58  -5.428  -2.378  -4.242
  474   1HB   TYR  58           HB2      TYR  58  -5.299  -0.217  -3.091
  475   2HB   TYR  58           HB3      TYR  58  -6.101   0.573  -4.442
  476    HD1  TYR  58           HD1      TYR  58  -8.003  -2.184  -4.441
  477    HD2  TYR  58           HD2      TYR  58  -7.071   1.012  -1.760
  478    HE1  TYR  58           HE1      TYR  58 -10.170  -2.500  -3.367
  479    HE2  TYR  58           HE2      TYR  58  -9.263   0.697  -0.680
  480    HH   TYR  58           HH       TYR  58 -11.228  -2.017  -1.194
  481    H    THR  59           H        THR  59  -6.424  -3.706  -5.584
  482    HA   THR  59           HA       THR  59  -8.146  -2.577  -7.687
  483    HB   THR  59           HB       THR  59  -7.459  -5.496  -7.527
  484    HG1  THR  59           HG1      THR  59  -5.705  -3.412  -8.028
  485   1HG2  THR  59          1HG2      THR  59  -9.118  -4.724  -9.162
  486   2HG2  THR  59          3HG2      THR  59  -7.940  -3.595  -9.829
  487   3HG2  THR  59          2HG2      THR  59  -7.671  -5.332  -9.966
  488    HA   PRO  60           HA       PRO  60 -11.400  -4.098  -5.035
  489   1HB   PRO  60           HB2      PRO  60 -13.364  -2.629  -6.088
  490   2HB   PRO  60           HB3      PRO  60 -12.066  -1.890  -5.151
  491   1HG   PRO  60           HG2      PRO  60 -12.548  -1.843  -8.068
  492   2HG   PRO  60           HG3      PRO  60 -11.696  -0.674  -7.050
  493   1HD   PRO  60           HD2      PRO  60 -10.570  -2.741  -8.671
  494   2HD   PRO  60           HD3      PRO  60  -9.726  -1.588  -7.620
  495    H    THR  61           H        THR  61 -13.946  -4.486  -5.726
  496    HA   THR  61           HA       THR  61 -13.969  -6.977  -6.993
  497    HB   THR  61           HB       THR  61 -16.437  -5.288  -6.934
  498    HG1  THR  61           HG1      THR  61 -15.261  -6.515  -4.643
  499   1HG2  THR  61          1HG2      THR  61 -15.883  -8.177  -6.262
  500   2HG2  THR  61          3HG2      THR  61 -17.468  -7.403  -6.240
  501   3HG2  THR  61          2HG2      THR  61 -16.592  -7.578  -7.761
  502    HA   PRO  62           HA       PRO  62 -13.739  -6.075 -11.326
  503   1HB   PRO  62           HB2      PRO  62 -15.359  -8.198 -12.136
  504   2HB   PRO  62           HB3      PRO  62 -13.615  -8.277 -11.872
  505   1HG   PRO  62           HG2      PRO  62 -15.847  -9.044 -10.036
  506   2HG   PRO  62           HG3      PRO  62 -14.294  -9.856 -10.315
  507   1HD   PRO  62           HD2      PRO  62 -14.693  -8.378  -8.136
  508   2HD   PRO  62           HD3      PRO  62 -13.133  -8.329  -8.989
  509    H    SER  63           H        SER  63 -15.138  -5.559 -13.141
  510    HA   SER  63           HA       SER  63 -17.553  -4.220 -12.267
  511   1HB   SER  63           HB2      SER  63 -16.245  -4.328 -14.998
  512   2HB   SER  63           HB3      SER  63 -17.571  -3.263 -14.534
  513    HG   SER  63           HG       SER  63 -16.048  -1.950 -13.949
  514    H    SER  64           H        SER  64 -19.121  -4.319 -14.544
  515    HA   SER  64           HA       SER  64 -20.405  -6.863 -14.204
  516   1HB   SER  64           HB2      SER  64 -22.086  -5.964 -15.780
  517   2HB   SER  64           HB3      SER  64 -21.743  -4.833 -14.470
  518    HG   SER  64           HG       SER  64 -20.604  -3.568 -15.847
  519    H    THR  65           H        THR  65 -17.710  -6.337 -15.729
  520    HA   THR  65           HA       THR  65 -17.995  -7.069 -18.397
  521    HB   THR  65           HB       THR  65 -15.661  -7.851 -18.286
  522    HG1  THR  65           HG1      THR  65 -15.289  -8.780 -16.380
  523   1HG2  THR  65          1HG2      THR  65 -16.099  -5.455 -18.481
  524   2HG2  THR  65          3HG2      THR  65 -16.160  -5.315 -16.723
  525   3HG2  THR  65          2HG2      THR  65 -14.649  -5.751 -17.521
  526    HA   PRO  66           HA       PRO  66 -19.056 -11.359 -18.327
  527   1HB   PRO  66           HB2      PRO  66 -17.939 -12.275 -20.586
  528   2HB   PRO  66           HB3      PRO  66 -19.264 -11.102 -20.628
  529   1HG   PRO  66           HG2      PRO  66 -16.304 -10.614 -20.823
  530   2HG   PRO  66           HG3      PRO  66 -17.598  -9.997 -21.872
  531   1HD   PRO  66           HD2      PRO  66 -16.534  -8.521 -19.877
  532   2HD   PRO  66           HD3      PRO  66 -18.249  -8.400 -20.325
  533    H    MET  67           H        MET  67 -16.226 -10.368 -17.371
  534    HA   MET  67           HA       MET  67 -15.167 -13.080 -16.982
  535   1HB   MET  67           HB2      MET  67 -13.819 -11.937 -18.699
  536   2HB   MET  67           HB3      MET  67 -13.511 -10.620 -17.576
  537   1HG   MET  67           HG2      MET  67 -12.336 -12.161 -16.089
  538   2HG   MET  67           HG3      MET  67 -12.644 -13.480 -17.217
  539   1HE   MET  67           HE2      MET  67 -10.769 -10.090 -16.621
  540   2HE   MET  67           HE1      MET  67  -9.962  -9.847 -18.169
  541   3HE   MET  67           HE3      MET  67 -11.718  -9.742 -18.065
  542    H    VAL  68           H        VAL  68 -16.148 -13.075 -14.928
  543    HA   VAL  68           HA       VAL  68 -15.766 -11.068 -12.984
  544    HB   VAL  68           HB       VAL  68 -16.306 -14.000 -12.497
  545   1HG1  VAL  68          1HG1      VAL  68 -16.854 -11.562 -10.805
  546   2HG1  VAL  68          3HG1      VAL  68 -17.350 -13.210 -10.420
  547   3HG1  VAL  68          2HG1      VAL  68 -15.636 -12.800 -10.491
  548   1HG2  VAL  68          1HG2      VAL  68 -18.241 -11.736 -12.975
  549   2HG2  VAL  68          3HG2      VAL  68 -17.933 -13.096 -14.056
  550   3HG2  VAL  68          2HG2      VAL  68 -18.681 -13.371 -12.483
  551    H    GLY  69           H        GLY  69 -14.004 -10.535 -11.885
  552   1HA   GLY  69           HA3      GLY  69 -11.884 -12.571 -11.574
  553   2HA   GLY  69           HA2      GLY  69 -12.309 -11.447 -10.292
  554    H    VAL  70           H        VAL  70 -12.173  -9.069 -10.991
  555    HA   VAL  70           HA       VAL  70  -9.869  -8.673 -12.765
  556    HB   VAL  70           HB       VAL  70 -12.006  -6.717 -11.921
  557   1HG1  VAL  70          3HG1      VAL  70  -9.581  -6.297 -13.662
  558   2HG1  VAL  70          2HG1      VAL  70 -10.921  -5.160 -13.517
  559   3HG1  VAL  70          1HG1      VAL  70  -9.921  -5.529 -12.111
  560   1HG2  VAL  70          1HG2      VAL  70 -11.380  -7.952 -14.599
  561   2HG2  VAL  70          3HG2      VAL  70 -12.770  -8.319 -13.578
  562   3HG2  VAL  70          2HG2      VAL  70 -12.605  -6.719 -14.301
  563    H    GLY  71           H        GLY  71 -11.016  -8.337  -9.560
  564   1HA   GLY  71           HA3      GLY  71  -9.527  -6.373  -8.434
  565   2HA   GLY  71           HA2      GLY  71  -8.386  -7.694  -8.606
  566    H    GLY  72           H        GLY  72 -10.011  -6.232  -6.353
  567   1HA   GLY  72           HA3      GLY  72 -11.118  -8.621  -5.060
  568   2HA   GLY  72           HA2      GLY  72 -11.411  -6.960  -4.572
  569    H    ILE  73           H        ILE  73  -8.334  -6.641  -5.009
  570    HA   ILE  73           HA       ILE  73  -7.686  -7.298  -2.256
  571    HB   ILE  73           HB       ILE  73  -5.507  -8.256  -2.875
  572   1HG1  ILE  73          2HG1      ILE  73  -6.509  -8.822  -5.622
  573   2HG1  ILE  73          3HG1      ILE  73  -5.728  -7.277  -5.289
  574   1HG2  ILE  73          2HG2      ILE  73  -7.407  -9.672  -2.248
  575   2HG2  ILE  73          1HG2      ILE  73  -7.805  -9.851  -3.957
  576   3HG2  ILE  73          3HG2      ILE  73  -6.275 -10.475  -3.337
  577   1HD1  ILE  73          2HD1      ILE  73  -3.771  -8.505  -4.415
  578   2HD1  ILE  73          1HD1      ILE  73  -4.549 -10.015  -4.893
  579   3HD1  ILE  73          3HD1      ILE  73  -4.099  -8.829  -6.121
  580    H    TYR  74           H        TYR  74  -5.041  -6.738  -2.227
  581    HA   TYR  74           HA       TYR  74  -4.733  -4.074  -3.414
  582   1HB   TYR  74           HB2      TYR  74  -3.874  -4.582  -0.579
  583   2HB   TYR  74           HB3      TYR  74  -4.209  -3.048  -1.376
  584    HD1  TYR  74           HD1      TYR  74  -6.306  -2.027  -1.141
  585    HD2  TYR  74           HD2      TYR  74  -5.868  -6.127  -0.094
  586    HE1  TYR  74           HE1      TYR  74  -8.571  -2.029  -0.186
  587    HE2  TYR  74           HE2      TYR  74  -8.132  -6.135   0.852
  588    HH   TYR  74           HH       TYR  74  -9.749  -4.533   1.769
  589    H    VAL  75           H        VAL  75  -3.086  -4.586  -4.809
  590    HA   VAL  75           HA       VAL  75  -0.937  -6.338  -4.008
  591    HB   VAL  75           HB       VAL  75  -1.170  -4.625  -6.487
  592   1HG1  VAL  75          1HG1      VAL  75   0.644  -6.951  -5.853
  593   2HG1  VAL  75          3HG1      VAL  75   0.526  -6.137  -7.414
  594   3HG1  VAL  75          2HG1      VAL  75   1.129  -5.263  -6.005
  595   1HG2  VAL  75          2HG2      VAL  75  -1.852  -7.530  -6.048
  596   2HG2  VAL  75          1HG2      VAL  75  -3.000  -6.221  -6.337
  597   3HG2  VAL  75          3HG2      VAL  75  -1.867  -6.696  -7.603
  598    H    VAL  76           H        VAL  76   0.062  -5.337  -2.268
  599    HA   VAL  76           HA       VAL  76   1.018  -2.617  -2.484
  600    HB   VAL  76           HB       VAL  76   1.643  -4.620  -0.317
  601   1HG1  VAL  76          2HG1      VAL  76   1.760  -1.612  -0.431
  602   2HG1  VAL  76          1HG1      VAL  76   1.939  -2.560   1.045
  603   3HG1  VAL  76          3HG1      VAL  76   3.114  -2.730  -0.260
  604   1HG2  VAL  76          1HG2      VAL  76  -0.802  -4.337  -0.658
  605   2HG2  VAL  76          3HG2      VAL  76  -0.235  -3.781   0.917
  606   3HG2  VAL  76          2HG2      VAL  76  -0.601  -2.611  -0.350
  607    H    LEU  77           H        LEU  77   2.877  -2.050  -3.393
  608    HA   LEU  77           HA       LEU  77   5.091  -3.990  -3.425
  609   1HB   LEU  77           HB2      LEU  77   4.435  -1.806  -5.398
  610   2HB   LEU  77           HB3      LEU  77   5.926  -2.729  -5.417
  611    HG   LEU  77           HG       LEU  77   3.129  -3.810  -5.845
  612   1HD1  LEU  77          2HD1      LEU  77   3.988  -2.546  -7.741
  613   2HD1  LEU  77          1HD1      LEU  77   5.463  -3.514  -7.732
  614   3HD1  LEU  77          3HD1      LEU  77   3.914  -4.268  -8.112
  615   1HD2  LEU  77          2HD2      LEU  77   4.903  -5.280  -4.638
  616   2HD2  LEU  77          1HD2      LEU  77   3.978  -5.952  -5.984
  617   3HD2  LEU  77          3HD2      LEU  77   5.630  -5.394  -6.241
  618    H    VAL  78           H        VAL  78   6.214  -3.406  -1.653
  619    HA   VAL  78           HA       VAL  78   6.775  -0.565  -1.226
  620    HB   VAL  78           HB       VAL  78   7.982  -2.254   0.752
  621   1HG1  VAL  78          1HG1      VAL  78   7.375   0.097   1.060
  622   2HG1  VAL  78          3HG1      VAL  78   5.667  -0.312   0.884
  623   3HG1  VAL  78          2HG1      VAL  78   6.587  -0.920   2.263
  624   1HG2  VAL  78          1HG2      VAL  78   6.320  -3.913   0.103
  625   2HG2  VAL  78          3HG2      VAL  78   5.976  -3.265   1.706
  626   3HG2  VAL  78          2HG2      VAL  78   5.039  -2.721   0.316
  627    H    LYS  79           H        LYS  79   8.487   0.201  -2.245
  628    HA   LYS  79           HA       LYS  79  10.842  -1.528  -2.573
  629   1HB   LYS  79           HB2      LYS  79   9.593   0.566  -4.273
  630   2HB   LYS  79           HB3      LYS  79  11.343   0.400  -4.336
  631   1HG   LYS  79           HG2      LYS  79  11.051  -1.999  -4.868
  632   2HG   LYS  79           HG3      LYS  79   9.295  -1.741  -4.928
  633   1HD   LYS  79           HD2      LYS  79  11.319  -0.302  -6.652
  634   2HD   LYS  79           HD3      LYS  79  10.370  -1.699  -7.163
  635   1HE   LYS  79           HE2      LYS  79   8.308  -0.431  -6.780
  636   2HE   LYS  79           HE3      LYS  79   9.262   0.965  -6.281
  637   1HZ   LYS  79           HZ3      LYS  79  10.237   1.041  -8.491
  638   2HZ   LYS  79           HZ2      LYS  79   9.318  -0.296  -8.970
  639   3HZ   LYS  79           HZ1      LYS  79   8.551   1.160  -8.577
  640    HA   PRO  80           HA       PRO  80  12.498   1.299   0.600
  641   1HB   PRO  80           HB2      PRO  80  14.861  -0.424   0.071
  642   2HB   PRO  80           HB3      PRO  80  14.116   0.026   1.608
  643   1HG   PRO  80           HG2      PRO  80  13.804  -2.421   0.573
  644   2HG   PRO  80           HG3      PRO  80  12.504  -1.613   1.461
  645   1HD   PRO  80           HD2      PRO  80  12.816  -2.046  -1.471
  646   2HD   PRO  80           HD3      PRO  80  11.344  -2.002  -0.481
  647    H    ARG  81           H        ARG  81  12.709   3.198  -0.587
  648    HA   ARG  81           HA       ARG  81  14.460   3.466  -2.802
  649   1HB   ARG  81           HB2      ARG  81  12.811   5.297  -1.157
  650   2HB   ARG  81           HB3      ARG  81  14.142   6.012  -2.049
  651   1HG   ARG  81           HG2      ARG  81  13.260   5.178  -4.128
  652   2HG   ARG  81           HG3      ARG  81  11.984   4.310  -3.272
  653   1HD   ARG  81           HD2      ARG  81  11.129   6.448  -2.425
  654   2HD   ARG  81           HD3      ARG  81  12.368   7.298  -3.347
  655    HE   ARG  81           HE       ARG  81  10.866   5.633  -5.061
  656   1HH1  ARG  81          1HH1      ARG  81  10.622   8.598  -3.246
  657   2HH1  ARG  81          2HH1      ARG  81   9.451   9.303  -4.311
  658   1HH2  ARG  81          1HH2      ARG  81   9.327   6.554  -6.468
  659   2HH2  ARG  81          2HH2      ARG  81   8.715   8.141  -6.141
  660    H    LYS  82           H        LYS  82  14.721   4.263   0.628
  661    HA   LYS  82           HA       LYS  82  17.578   4.853   0.225
  662   1HB   LYS  82           HB2      LYS  82  15.793   5.706   2.514
  663   2HB   LYS  82           HB3      LYS  82  17.478   6.154   2.290
  664   1HG   LYS  82           HG2      LYS  82  16.851   7.321   0.204
  665   2HG   LYS  82           HG3      LYS  82  15.160   6.943   0.542
  666   1HD   LYS  82           HD2      LYS  82  15.300   8.186   2.644
  667   2HD   LYS  82           HD3      LYS  82  16.992   8.564   2.310
  668   1HE   LYS  82           HE2      LYS  82  14.626   9.401   0.637
  669   2HE   LYS  82           HE3      LYS  82  15.530  10.437   1.740
  670   1HZ   LYS  82           HZ1      LYS  82  17.499  10.105   0.379
  671   2HZ   LYS  82           HZ3      LYS  82  16.629   9.113  -0.681
  672   3HZ   LYS  82           HZ2      LYS  82  16.238  10.753  -0.544
  673    H    ARG  83           H        ARG  83  18.698   4.517   2.571
  674    HA   ARG  83           HA       ARG  83  18.045   1.754   3.365
  675   1HB   ARG  83           HB2      ARG  83  20.768   3.046   3.477
  676   2HB   ARG  83           HB3      ARG  83  20.381   1.352   3.732
  677   1HG   ARG  83           HG2      ARG  83  19.901   1.013   1.446
  678   2HG   ARG  83           HG3      ARG  83  19.897   2.747   1.118
  679   1HD   ARG  83           HD2      ARG  83  22.281   2.854   1.622
  680   2HD   ARG  83           HD3      ARG  83  22.292   1.127   1.973
  681    HE   ARG  83           HE       ARG  83  21.299   1.424  -0.599
  682   1HH1  ARG  83          1HH1      ARG  83  24.261   2.067   1.118
  683   2HH1  ARG  83          2HH1      ARG  83  25.266   1.853  -0.276
  684   1HH2  ARG  83          1HH2      ARG  83  22.614   1.142  -2.439
  685   2HH2  ARG  83          2HH2      ARG  83  24.330   1.328  -2.299
  686    H    GLY  84           H        GLY  84  18.029   1.238   5.533
  687   1HA   GLY  84           HA3      GLY  84  18.040   3.553   7.351
  688   2HA   GLY  84           HA2      GLY  84  18.983   2.128   7.764
  689    H    HIS  85           H        HIS  85  16.441   3.572   8.816
  690    HA   HIS  85           HA       HIS  85  14.989   1.078   9.336
  691   1HB   HIS  85           HB2      HIS  85  14.914   3.710  10.822
  692   2HB   HIS  85           HB3      HIS  85  14.034   2.254  11.275
  693    HD1  HIS  85           HD1      HIS  85  17.302   3.905  11.595
  694    HD2  HIS  85           HD2      HIS  85  15.723   0.108  12.191
  695    HE1  HIS  85           HE1      HIS  85  19.004   2.679  12.981
  696    HE2  HIS  85           HE2      HIS  85  18.065   0.358  13.258
  697    H    HIS  86           H        HIS  86  13.702   0.963   7.523
  698    HA   HIS  86           HA       HIS  86  11.778   3.152   7.117
  699   1HB   HIS  86           HB2      HIS  86  12.491   0.884   5.241
  700   2HB   HIS  86           HB3      HIS  86  11.402   2.223   4.888
  701    HD1  HIS  86           HD1      HIS  86  14.265   3.466   6.701
  702    HD2  HIS  86           HD2      HIS  86  13.404   2.556   2.741
  703    HE1  HIS  86           HE1      HIS  86  16.016   4.653   5.344
  704    HE2  HIS  86           HE2      HIS  86  15.389   4.197   2.948
  705    H    THR  87           H        THR  87   9.543   2.434   6.479
  706    HA   THR  87           HA       THR  87   8.721  -0.197   7.296
  707    HB   THR  87           HB       THR  87   7.884   2.162   8.990
  708    HG1  THR  87           HG1      THR  87   9.481  -0.131   9.564
  709   1HG2  THR  87          3HG2      THR  87   6.068   0.548   8.624
  710   2HG2  THR  87          2HG2      THR  87   7.117  -0.751   9.194
  711   3HG2  THR  87          1HG2      THR  87   6.628   0.535  10.297
  712    H    LEU  88           H        LEU  88   6.506  -0.637   6.921
  713    HA   LEU  88           HA       LEU  88   5.079   1.379   5.318
  714   1HB   LEU  88           HB2      LEU  88   5.894  -0.273   3.795
  715   2HB   LEU  88           HB3      LEU  88   5.374  -1.581   4.835
  716    HG   LEU  88           HG       LEU  88   2.991  -0.663   4.423
  717   1HD1  LEU  88          3HD1      LEU  88   4.467   0.570   2.103
  718   2HD1  LEU  88          2HD1      LEU  88   2.714   0.475   2.279
  719   3HD1  LEU  88          1HD1      LEU  88   3.663   1.444   3.407
  720   1HD2  LEU  88          2HD2      LEU  88   4.057  -2.779   3.523
  721   2HD2  LEU  88          1HD2      LEU  88   2.711  -2.114   2.597
  722   3HD2  LEU  88          3HD2      LEU  88   4.365  -1.868   2.046
  723    H    GLU  89           H        GLU  89   3.664   2.026   6.908
  724    HA   GLU  89           HA       GLU  89   2.321   0.056   8.541
  725   1HB   GLU  89           HB2      GLU  89   1.537   2.934   8.485
  726   2HB   GLU  89           HB3      GLU  89   1.556   1.812   9.837
  727   1HG   GLU  89           HG2      GLU  89   4.056   1.865   9.716
  728   2HG   GLU  89           HG3      GLU  89   3.894   3.159   8.532
  729    H    LEU  90           H        LEU  90   0.917  -1.139   7.358
  730    HA   LEU  90           HA       LEU  90  -1.048   0.242   5.684
  731   1HB   LEU  90           HB2      LEU  90  -0.688  -2.729   6.093
  732   2HB   LEU  90           HB3      LEU  90  -1.680  -1.953   4.875
  733    HG   LEU  90           HG       LEU  90   1.332  -2.014   5.012
  734   1HD1  LEU  90          3HD1      LEU  90   0.221  -4.017   4.121
  735   2HD1  LEU  90          2HD1      LEU  90  -0.606  -3.013   2.930
  736   3HD1  LEU  90          1HD1      LEU  90   1.150  -3.164   2.888
  737   1HD2  LEU  90          3HD2      LEU  90   0.622   0.212   4.319
  738   2HD2  LEU  90          2HD2      LEU  90   1.326  -0.678   2.970
  739   3HD2  LEU  90          1HD2      LEU  90  -0.426  -0.495   3.089
  740    H    VAL  91           H        VAL  91  -3.098   0.574   6.339
  741    HA   VAL  91           HA       VAL  91  -4.017  -0.863   8.743
  742    HB   VAL  91           HB       VAL  91  -3.261   1.443   9.297
  743   1HG1  VAL  91          2HG1      VAL  91  -5.504   2.240   7.441
  744   2HG1  VAL  91          1HG1      VAL  91  -4.692   3.334   8.563
  745   3HG1  VAL  91          3HG1      VAL  91  -3.785   2.587   7.249
  746   1HG2  VAL  91          2HG2      VAL  91  -6.210   0.900   9.623
  747   2HG2  VAL  91          1HG2      VAL  91  -4.913   0.369  10.696
  748   3HG2  VAL  91          3HG2      VAL  91  -5.287   2.086  10.547
  749    H    TYR  92           H        TYR  92  -6.315  -0.974   9.010
  750    HA   TYR  92           HA       TYR  92  -7.775  -0.935   6.463
  751   1HB   TYR  92           HB2      TYR  92  -7.553  -2.964   8.191
  752   2HB   TYR  92           HB3      TYR  92  -8.918  -2.148   8.940
  753    HD1  TYR  92           HD1      TYR  92 -10.595  -3.761   8.565
  754    HD2  TYR  92           HD2      TYR  92  -8.268  -2.352   5.291
  755    HE1  TYR  92           HE1      TYR  92 -12.122  -4.886   7.003
  756    HE2  TYR  92           HE2      TYR  92  -9.793  -3.471   3.720
  757    HH   TYR  92           HH       TYR  92 -12.812  -4.705   4.648
  758    H    THR  93           H        THR  93  -8.443   1.190   6.292
  759    HA   THR  93           HA       THR  93 -10.024   2.279   8.538
  760    HB   THR  93           HB       THR  93  -8.053   3.605   8.188
  761    HG1  THR  93           HG1      THR  93 -10.343   4.588   8.307
  762   1HG2  THR  93          2HG2      THR  93  -8.947   3.820   5.313
  763   2HG2  THR  93          1HG2      THR  93  -7.596   4.698   6.033
  764   3HG2  THR  93          3HG2      THR  93  -7.536   2.940   5.902
  765    H    ARG  94           H        ARG  94 -11.645   3.934   7.888
  766    HA   ARG  94           HA       ARG  94 -13.104   3.042   5.501
  767   1HB   ARG  94           HB2      ARG  94 -14.096   4.665   7.855
  768   2HB   ARG  94           HB3      ARG  94 -15.077   4.065   6.526
  769   1HG   ARG  94           HG2      ARG  94 -14.598   1.769   7.206
  770   2HG   ARG  94           HG3      ARG  94 -13.620   2.376   8.544
  771   1HD   ARG  94           HD2      ARG  94 -15.849   1.752   9.305
  772   2HD   ARG  94           HD3      ARG  94 -15.578   3.485   9.485
  773    HE   ARG  94           HE       ARG  94 -16.810   2.997   7.007
  774   1HH1  ARG  94          1HH1      ARG  94 -17.508   2.908  10.420
  775   2HH1  ARG  94          2HH1      ARG  94 -19.198   3.231  10.213
  776   1HH2  ARG  94          1HH2      ARG  94 -19.032   3.422   6.726
  777   2HH2  ARG  94          2HH2      ARG  94 -20.064   3.523   8.114
  778    HA   PRO  95           HA       PRO  95 -11.193   6.906   3.878
  779   1HB   PRO  95           HB2      PRO  95 -12.773   5.806   1.585
  780   2HB   PRO  95           HB3      PRO  95 -11.159   6.524   1.593
  781   1HG   PRO  95           HG2      PRO  95 -11.407   3.895   1.460
  782   2HG   PRO  95           HG3      PRO  95 -10.178   4.609   2.521
  783   1HD   PRO  95           HD2      PRO  95 -12.822   3.404   3.222
  784   2HD   PRO  95           HD3      PRO  95 -11.274   3.319   4.085
  785    H    PHE  96           H        PHE  96 -14.534   5.811   3.737
  786    HA   PHE  96           HA       PHE  96 -15.599   8.347   2.980
  787   1HB   PHE  96           HB2      PHE  96 -16.882   5.840   4.070
  788   2HB   PHE  96           HB3      PHE  96 -17.763   7.234   3.479
  789    HD1  PHE  96           HD1      PHE  96 -18.223   7.499   1.196
  790    HD2  PHE  96           HD2      PHE  96 -15.374   4.604   2.468
  791    HE1  PHE  96           HE1      PHE  96 -18.133   6.588  -1.088
  792    HE2  PHE  96           HE2      PHE  96 -15.278   3.690   0.187
  793    HZ   PHE  96           HZ       PHE  96 -16.659   4.681  -1.596
  794    H    GLU  97           H        GLU  97 -14.031   7.698   5.647
  795    HA   GLU  97           HA       GLU  97 -15.570   9.561   7.260
  796   1HB   GLU  97           HB2      GLU  97 -14.949   6.743   8.146
  797   2HB   GLU  97           HB3      GLU  97 -15.324   8.032   9.280
  798   1HG   GLU  97           HG2      GLU  97 -17.154   7.171   7.053
  799   2HG   GLU  97           HG3      GLU  97 -17.236   6.547   8.700
  800    H    GLY  98           H        GLY  98 -12.988   7.237   7.976
  801   1HA   GLY  98           HA3      GLY  98 -11.393   9.216   9.296
  802   2HA   GLY  98           HA2      GLY  98 -10.740   8.790   7.717
  803    H    ILE  99           H        ILE  99  -8.988   8.202   9.400
  804    HA   ILE  99           HA       ILE  99  -9.171   5.311   9.707
  805    HB   ILE  99           HB       ILE  99  -6.704   6.937  10.194
  806   1HG1  ILE  99          2HG1      ILE  99  -7.554   5.819   7.519
  807   2HG1  ILE  99          3HG1      ILE  99  -7.791   7.507   7.968
  808   1HG2  ILE  99          2HG2      ILE  99  -7.426   4.101   9.860
  809   2HG2  ILE  99          1HG2      ILE  99  -5.968   4.615   9.001
  810   3HG2  ILE  99          3HG2      ILE  99  -6.089   4.837  10.748
  811   1HD1  ILE  99          2HD1      ILE  99  -5.144   6.079   7.818
  812   2HD1  ILE  99          1HD1      ILE  99  -5.793   7.181   6.605
  813   3HD1  ILE  99          3HD1      ILE  99  -5.390   7.779   8.214
  814    H    LYS 100           H        LYS 100  -8.583   4.231  11.599
  815    HA   LYS 100           HA       LYS 100  -8.537   5.831  14.057
  816   1HB   LYS 100           HB2      LYS 100 -10.207   3.355  13.979
  817   2HB   LYS 100           HB3      LYS 100 -10.359   4.773  15.005
  818   1HG   LYS 100           HG2      LYS 100 -10.893   4.923  12.069
  819   2HG   LYS 100           HG3      LYS 100 -12.133   4.401  13.215
  820   1HD   LYS 100           HD2      LYS 100 -11.099   6.688  14.368
  821   2HD   LYS 100           HD3      LYS 100 -11.124   7.067  12.644
  822   1HE   LYS 100           HE2      LYS 100 -13.473   6.486  12.518
  823   2HE   LYS 100           HE3      LYS 100 -13.460   6.000  14.216
  824   1HZ   LYS 100           HZ2      LYS 100 -12.960   8.748  13.204
  825   2HZ   LYS 100           HZ1      LYS 100 -14.390   8.212  13.932
  826   3HZ   LYS 100           HZ3      LYS 100 -12.957   8.281  14.829
  827    HA   PRO 101           HA       PRO 101  -5.579   2.878  15.473
  828   1HB   PRO 101           HB2      PRO 101  -6.638   2.832  18.175
  829   2HB   PRO 101           HB3      PRO 101  -5.209   3.665  17.563
  830   1HG   PRO 101           HG2      PRO 101  -7.430   4.981  18.414
  831   2HG   PRO 101           HG3      PRO 101  -6.358   5.613  17.151
  832   1HD   PRO 101           HD2      PRO 101  -8.965   4.151  16.866
  833   2HD   PRO 101           HD3      PRO 101  -8.402   5.607  16.016
  834    H    GLU 102           H        GLU 102  -8.739   2.182  16.957
  835    HA   GLU 102           HA       GLU 102  -8.311  -0.486  17.575
  836   1HB   GLU 102           HB2      GLU 102 -10.797  -0.697  17.511
  837   2HB   GLU 102           HB3      GLU 102 -10.203   0.650  18.477
  838   1HG   GLU 102           HG2      GLU 102 -10.650   2.167  16.631
  839   2HG   GLU 102           HG3      GLU 102 -11.252   0.820  15.670
  840    H    ASN 103           H        ASN 103  -8.703   0.957  14.511
  841    HA   ASN 103           HA       ASN 103  -9.885  -1.143  13.067
  842   1HB   ASN 103           HB2      ASN 103  -7.925   0.966  12.152
  843   2HB   ASN 103           HB3      ASN 103  -8.855  -0.073  11.082
  844   1HD2  ASN 103          1HD2      ASN 103 -11.189   0.041  12.904
  845   2HD2  ASN 103          2HD2      ASN 103 -11.903   1.588  12.627
  846    H    GLU 104           H        GLU 104  -8.793  -2.504  11.418
  847    HA   GLU 104           HA       GLU 104  -6.893  -4.181  12.560
  848   1HB   GLU 104           HB2      GLU 104  -8.276  -3.920  10.011
  849   2HB   GLU 104           HB3      GLU 104  -6.665  -4.594   9.849
  850   1HG   GLU 104           HG2      GLU 104  -7.997  -6.459  10.141
  851   2HG   GLU 104           HG3      GLU 104  -7.356  -6.164  11.755
  852    H    ARG 105           H        ARG 105  -4.729  -4.677  11.698
  853    HA   ARG 105           HA       ARG 105  -3.324  -2.308  10.668
  854   1HB   ARG 105           HB2      ARG 105  -3.108  -2.378  13.131
  855   2HB   ARG 105           HB3      ARG 105  -2.432  -3.990  13.017
  856   1HG   ARG 105           HG2      ARG 105  -0.508  -2.787  13.221
  857   2HG   ARG 105           HG3      ARG 105  -0.685  -2.777  11.463
  858   1HD   ARG 105           HD2      ARG 105  -0.196  -0.546  12.190
  859   2HD   ARG 105           HD3      ARG 105  -1.870  -0.608  11.634
  860    HE   ARG 105           HE       ARG 105  -1.857  -1.090  14.380
  861   1HH1  ARG 105          1HH1      ARG 105  -1.127   1.501  12.165
  862   2HH1  ARG 105          2HH1      ARG 105  -1.530   2.752  13.293
  863   1HH2  ARG 105          1HH2      ARG 105  -2.390   0.553  15.871
  864   2HH2  ARG 105          2HH2      ARG 105  -2.248   2.213  15.399
  865    H    TYR 106           H        TYR 106  -1.160  -2.787   9.881
  866    HA   TYR 106           HA       TYR 106  -0.113  -5.366   9.543
  867   1HB   TYR 106           HB2      TYR 106  -2.052  -5.541   7.957
  868   2HB   TYR 106           HB3      TYR 106  -1.330  -4.241   7.009
  869    HD1  TYR 106           HD1      TYR 106  -1.232  -7.753   7.879
  870    HD2  TYR 106           HD2      TYR 106   0.815  -4.653   5.811
  871    HE1  TYR 106           HE1      TYR 106   0.086  -9.432   6.679
  872    HE2  TYR 106           HE2      TYR 106   2.147  -6.327   4.605
  873    HH   TYR 106           HH       TYR 106   1.365  -9.632   4.588
  874    H    THR 107           H        THR 107   1.324  -3.709  10.517
  875    HA   THR 107           HA       THR 107   2.540  -1.823   8.682
  876    HB   THR 107           HB       THR 107   3.387  -2.438  11.514
  877    HG1  THR 107           HG1      THR 107   1.869  -0.184  11.100
  878   1HG2  THR 107          3HG2      THR 107   3.739  -0.014   9.752
  879   2HG2  THR 107          2HG2      THR 107   4.240  -0.131  11.439
  880   3HG2  THR 107          1HG2      THR 107   4.997  -1.156  10.219
  881    H    LEU 108           H        LEU 108   3.700  -2.913   7.175
  882    HA   LEU 108           HA       LEU 108   5.424  -5.107   7.818
  883   1HB   LEU 108           HB2      LEU 108   4.348  -4.970   5.649
  884   2HB   LEU 108           HB3      LEU 108   5.132  -3.442   5.318
  885    HG   LEU 108           HG       LEU 108   7.333  -4.621   5.358
  886   1HD1  LEU 108          1HD1      LEU 108   5.608  -7.090   5.490
  887   2HD1  LEU 108          3HD1      LEU 108   7.347  -7.061   5.197
  888   3HD1  LEU 108          2HD1      LEU 108   6.705  -6.519   6.747
  889   1HD2  LEU 108          2HD2      LEU 108   6.161  -4.143   3.264
  890   2HD2  LEU 108          1HD2      LEU 108   7.077  -5.648   3.173
  891   3HD2  LEU 108          3HD2      LEU 108   5.328  -5.693   3.383
  892    H    HIS 109           H        HIS 109   6.856  -4.279   9.387
  893    HA   HIS 109           HA       HIS 109   8.482  -1.985   8.873
  894   1HB   HIS 109           HB2      HIS 109   8.362  -4.067  10.984
  895   2HB   HIS 109           HB3      HIS 109   9.837  -3.122  10.825
  896    HD1  HIS 109           HD1      HIS 109   9.801  -0.755  11.705
  897    HD2  HIS 109           HD2      HIS 109   6.052  -2.544  11.695
  898    HE1  HIS 109           HE1      HIS 109   8.305   0.812  12.982
  899    HE2  HIS 109           HE2      HIS 109   6.063  -0.334  13.037
  900    H    LEU 110           H        LEU 110  10.603  -1.873   8.271
  901    HA   LEU 110           HA       LEU 110  11.955  -4.298   7.386
  902   1HB   LEU 110           HB2      LEU 110  11.392  -1.942   5.587
  903   2HB   LEU 110           HB3      LEU 110  12.452  -3.274   5.179
  904    HG   LEU 110           HG       LEU 110   9.481  -3.509   5.699
  905   1HD1  LEU 110          3HD1      LEU 110  11.027  -3.529   3.112
  906   2HD1  LEU 110          2HD1      LEU 110   9.308  -3.882   3.282
  907   3HD1  LEU 110          1HD1      LEU 110   9.919  -2.271   3.659
  908   1HD2  LEU 110          3HD2      LEU 110  10.940  -5.516   6.206
  909   2HD2  LEU 110          2HD2      LEU 110   9.641  -5.763   5.041
  910   3HD2  LEU 110          1HD2      LEU 110  11.300  -5.566   4.481
  911    H    ASN 111           H        ASN 111  13.806  -4.142   8.518
  912    HA   ASN 111           HA       ASN 111  15.076  -1.593   8.999
  913   1HB   ASN 111           HB2      ASN 111  15.101  -3.453  10.681
  914   2HB   ASN 111           HB3      ASN 111  16.123  -4.376   9.584
  915   1HD2  ASN 111          1HD2      ASN 111  16.661  -3.439  12.282
  916   2HD2  ASN 111          2HD2      ASN 111  18.083  -2.462  12.178
  917    H    VAL 112           H        VAL 112  15.189  -1.171   6.673
  918    HA   VAL 112           HA       VAL 112  16.599  -2.629   4.800
  919    HB   VAL 112           HB       VAL 112  16.802   0.351   4.740
  920   1HG1  VAL 112          3HG1      VAL 112  17.639  -1.088   2.899
  921   2HG1  VAL 112          2HG1      VAL 112  15.987  -1.659   2.655
  922   3HG1  VAL 112          1HG1      VAL 112  16.379   0.041   2.396
  923   1HG2  VAL 112          3HG2      VAL 112  14.251  -1.233   4.588
  924   2HG2  VAL 112          2HG2      VAL 112  14.606   0.188   5.572
  925   3HG2  VAL 112          1HG2      VAL 112  14.430   0.347   3.825
  926    H    LYS 113           H        LYS 113  18.660  -3.189   4.618
  927    HA   LYS 113           HA       LYS 113  20.661  -1.885   6.284
  928   1HB   LYS 113           HB2      LYS 113  20.758  -4.378   4.583
  929   2HB   LYS 113           HB3      LYS 113  22.111  -3.773   5.528
  930   1HG   LYS 113           HG2      LYS 113  19.459  -4.423   6.770
  931   2HG   LYS 113           HG3      LYS 113  20.725  -5.632   6.550
  932   1HD   LYS 113           HD2      LYS 113  22.263  -4.264   7.874
  933   2HD   LYS 113           HD3      LYS 113  21.001  -3.047   8.085
  934   1HE   LYS 113           HE2      LYS 113  19.621  -4.671   9.270
  935   2HE   LYS 113           HE3      LYS 113  20.860  -5.905   9.040
  936   1HZ   LYS 113           HZ1      LYS 113  22.381  -4.571  10.362
  937   2HZ   LYS 113           HZ3      LYS 113  21.190  -3.388  10.583
  938   3HZ   LYS 113           HZ2      LYS 113  20.984  -4.932  11.243

  No H/Q in entry =         938
  Start of MODEL   37
    1    H1   GLY  -2           HT2      GLY  -2 -21.240 -22.228  13.611
    2    H2   GLY  -2           HT1      GLY  -2 -20.793 -23.686  12.880
    3    H3   GLY  -2           HT3      GLY  -2 -22.214 -23.600  13.796
    4   1HA   GLY  -2           HA2      GLY  -2 -20.485 -24.716  15.045
    5   2HA   GLY  -2           HA3      GLY  -2 -20.948 -23.201  15.806
    6    H    SER  -1           H        SER  -1 -19.498 -21.503  15.884
    7    HA   SER  -1           HA       SER  -1 -16.977 -21.611  14.515
    8   1HB   SER  -1           HB2      SER  -1 -17.944 -19.764  16.711
    9   2HB   SER  -1           HB3      SER  -1 -16.469 -19.542  15.770
   10    HG   SER  -1           HG       SER  -1 -17.638 -18.662  14.280
   11    H    HIS   0           H        HIS   0 -15.182 -22.587  15.169
   12    HA   HIS   0           HA       HIS   0 -15.093 -23.766  17.829
   13   1HB   HIS   0           HB2      HIS   0 -14.509 -25.156  15.882
   14   2HB   HIS   0           HB3      HIS   0 -13.191 -24.056  15.493
   15    HD1  HIS   0           HD1      HIS   0 -10.996 -24.429  16.659
   16    HD2  HIS   0           HD2      HIS   0 -14.089 -26.659  18.310
   17    HE1  HIS   0           HE1      HIS   0  -9.898 -25.995  18.292
   18    HE2  HIS   0           HE2      HIS   0 -11.780 -27.395  19.214
   19    H    MET   1           H        MET   1 -13.520 -21.280  15.940
   20    HA   MET   1           HA       MET   1 -11.896 -20.585  18.300
   21   1HB   MET   1           HB2      MET   1 -11.194 -20.189  15.385
   22   2HB   MET   1           HB3      MET   1 -10.228 -19.636  16.746
   23   1HG   MET   1           HG2      MET   1  -9.915 -21.953  17.462
   24   2HG   MET   1           HG3      MET   1 -10.871 -22.500  16.086
   25   1HE   MET   1           HE3      MET   1  -9.923 -20.505  13.796
   26   2HE   MET   1           HE2      MET   1  -8.622 -21.440  13.061
   27   3HE   MET   1           HE1      MET   1 -10.112 -22.241  13.556
   28    H    ILE   2           H        ILE   2 -11.759 -18.433  18.879
   29    HA   ILE   2           HA       ILE   2 -13.658 -16.638  17.514
   30    HB   ILE   2           HB       ILE   2 -13.888 -15.453  19.668
   31   1HG1  ILE   2          2HG1      ILE   2 -12.306 -17.769  20.808
   32   2HG1  ILE   2          3HG1      ILE   2 -11.680 -16.137  20.597
   33   1HG2  ILE   2          3HG2      ILE   2 -15.505 -17.159  19.029
   34   2HG2  ILE   2          2HG2      ILE   2 -14.510 -18.402  19.791
   35   3HG2  ILE   2          1HG2      ILE   2 -15.263 -17.148  20.777
   36   1HD1  ILE   2          2HD1      ILE   2 -13.357 -15.294  22.156
   37   2HD1  ILE   2          1HD1      ILE   2 -13.973 -16.933  22.374
   38   3HD1  ILE   2          3HD1      ILE   2 -12.337 -16.530  22.893
   39    H    ALA   3           H        ALA   3 -10.567 -17.186  17.421
   40    HA   ALA   3           HA       ALA   3  -9.251 -14.864  18.261
   41   1HB   ALA   3           HB1      ALA   3  -8.508 -16.673  15.966
   42   2HB   ALA   3           HB3      ALA   3  -7.440 -15.535  16.786
   43   3HB   ALA   3           HB2      ALA   3  -8.082 -16.929  17.657
   44    HA   PRO   4           HA       PRO   4  -9.871 -13.316  13.604
   45   1HB   PRO   4           HB2      PRO   4 -12.579 -14.492  13.224
   46   2HB   PRO   4           HB3      PRO   4 -11.281 -14.253  12.049
   47   1HG   PRO   4           HG2      PRO   4 -11.812 -16.678  13.006
   48   2HG   PRO   4           HG3      PRO   4 -10.140 -16.157  12.727
   49   1HD   PRO   4           HD2      PRO   4 -11.654 -16.387  15.293
   50   2HD   PRO   4           HD3      PRO   4  -9.950 -16.744  14.953
   51    H    LEU   5           H        LEU   5 -10.854 -11.345  13.224
   52    HA   LEU   5           HA       LEU   5 -11.965  -9.428  13.723
   53   1HB   LEU   5           HB2      LEU   5 -14.035 -11.454  14.549
   54   2HB   LEU   5           HB3      LEU   5 -14.333  -9.729  14.618
   55    HG   LEU   5           HG       LEU   5 -15.298 -10.652  12.601
   56   1HD1  LEU   5          2HD1      LEU   5 -14.391  -8.395  12.474
   57   2HD1  LEU   5          1HD1      LEU   5 -12.824  -9.042  11.990
   58   3HD1  LEU   5          3HD1      LEU   5 -14.220  -9.234  10.931
   59   1HD2  LEU   5          1HD2      LEU   5 -13.852 -12.613  12.382
   60   2HD2  LEU   5          3HD2      LEU   5 -13.948 -11.700  10.876
   61   3HD2  LEU   5          2HD2      LEU   5 -12.515 -11.570  11.896
   62    H    SER   6           H        SER   6 -10.380 -10.997  15.841
   63    HA   SER   6           HA       SER   6 -11.091  -9.213  18.046
   64   1HB   SER   6           HB2      SER   6 -12.211 -11.330  18.569
   65   2HB   SER   6           HB3      SER   6 -10.688 -12.198  18.369
   66    HG   SER   6           HG       SER   6  -9.864 -10.952  20.122
   67    H    VAL   7           H        VAL   7  -8.791 -11.170  16.346
   68    HA   VAL   7           HA       VAL   7  -6.611  -9.572  17.322
   69    HB   VAL   7           HB       VAL   7  -6.801 -11.243  19.129
   70   1HG1  VAL   7          1HG1      VAL   7  -6.251 -13.246  16.942
   71   2HG1  VAL   7          3HG1      VAL   7  -6.258 -13.595  18.671
   72   3HG1  VAL   7          2HG1      VAL   7  -7.745 -13.090  17.869
   73   1HG2  VAL   7          2HG2      VAL   7  -4.350 -11.543  17.399
   74   2HG2  VAL   7          1HG2      VAL   7  -4.627 -10.298  18.617
   75   3HG2  VAL   7          3HG2      VAL   7  -4.460 -11.985  19.103
   76    H    LYS   8           H        LYS   8  -4.737  -9.767  16.047
   77    HA   LYS   8           HA       LYS   8  -4.371 -11.759  14.081
   78   1HB   LYS   8           HB2      LYS   8  -6.293 -10.568  13.054
   79   2HB   LYS   8           HB3      LYS   8  -5.342  -9.089  13.043
   80   1HG   LYS   8           HG2      LYS   8  -5.291 -10.051  10.857
   81   2HG   LYS   8           HG3      LYS   8  -3.691 -10.224  11.582
   82   1HD   LYS   8           HD2      LYS   8  -4.200 -12.542  12.165
   83   2HD   LYS   8           HD3      LYS   8  -5.807 -12.372  11.456
   84   1HE   LYS   8           HE2      LYS   8  -4.800 -11.930   9.273
   85   2HE   LYS   8           HE3      LYS   8  -3.193 -12.092   9.979
   86   1HZ   LYS   8           HZ2      LYS   8  -5.247 -14.234   9.852
   87   2HZ   LYS   8           HZ1      LYS   8  -3.878 -14.121   8.866
   88   3HZ   LYS   8           HZ3      LYS   8  -3.703 -14.389  10.528
   89    H    ASP   9           H        ASP   9  -2.310 -11.746  13.428
   90    HA   ASP   9           HA       ASP   9  -0.529  -9.795  14.543
   91   1HB   ASP   9           HB2      ASP   9   0.054 -12.212  14.351
   92   2HB   ASP   9           HB3      ASP   9   0.091 -12.028  12.600
   93    H    ASN  10           H        ASN  10   0.066  -7.942  13.625
   94    HA   ASN  10           HA       ASN  10  -0.091  -7.719  10.702
   95   1HB   ASN  10           HB2      ASN  10  -0.521  -5.198  11.379
   96   2HB   ASN  10           HB3      ASN  10  -1.838  -6.355  11.246
   97   1HD2  ASN  10          1HD2      ASN  10  -0.062  -4.264  13.269
   98   2HD2  ASN  10          2HD2      ASN  10  -0.932  -4.552  14.733
   99    H    ASP  11           H        ASP  11   1.807  -7.370  13.474
  100    HA   ASP  11           HA       ASP  11   3.598  -5.420  12.329
  101   1HB   ASP  11           HB2      ASP  11   4.867  -5.811  14.462
  102   2HB   ASP  11           HB3      ASP  11   3.229  -5.205  14.662
  103    H    LYS  12           H        LYS  12   4.684  -6.221  10.658
  104    HA   LYS  12           HA       LYS  12   6.179  -8.738  11.022
  105   1HB   LYS  12           HB2      LYS  12   4.804  -7.529   8.719
  106   2HB   LYS  12           HB3      LYS  12   6.411  -8.143   8.356
  107   1HG   LYS  12           HG2      LYS  12   4.904 -10.017   9.944
  108   2HG   LYS  12           HG3      LYS  12   4.052  -9.595   8.457
  109   1HD   LYS  12           HD2      LYS  12   5.460 -11.511   8.051
  110   2HD   LYS  12           HD3      LYS  12   6.110 -10.120   7.182
  111   1HE   LYS  12           HE2      LYS  12   7.891 -11.389   8.259
  112   2HE   LYS  12           HE3      LYS  12   7.755  -9.773   8.951
  113   1HZ   LYS  12           HZ3      LYS  12   6.526 -10.712  10.808
  114   2HZ   LYS  12           HZ2      LYS  12   6.658 -12.261  10.145
  115   3HZ   LYS  12           HZ1      LYS  12   8.044 -11.444  10.666
  116    H    TRP  13           H        TRP  13   7.426  -7.062  12.364
  117    HA   TRP  13           HA       TRP  13   9.087  -5.238  10.920
  118   1HB   TRP  13           HB2      TRP  13   9.358  -6.113  13.798
  119   2HB   TRP  13           HB3      TRP  13   9.913  -4.612  13.071
  120    HD1  TRP  13           HD1      TRP  13   6.670  -4.915  11.611
  121    HE1  TRP  13           HE1      TRP  13   4.850  -3.685  12.938
  122    HE3  TRP  13           HE3      TRP  13   9.179  -4.246  16.024
  123    HZ2  TRP  13           HZ2      TRP  13   4.498  -2.580  15.494
  124    HZ3  TRP  13           HZ3      TRP  13   8.022  -3.088  17.862
  125    HH2  TRP  13           HH2      TRP  13   5.733  -2.272  17.603
  126    H    VAL  14           H        VAL  14  10.730  -5.840   9.748
  127    HA   VAL  14           HA       VAL  14  12.688  -7.726  10.819
  128    HB   VAL  14           HB       VAL  14  12.727  -9.106   8.782
  129   1HG1  VAL  14          1HG1      VAL  14  11.462  -9.877  10.727
  130   2HG1  VAL  14          3HG1      VAL  14  10.022  -9.063  10.115
  131   3HG1  VAL  14          2HG1      VAL  14  10.718 -10.415   9.221
  132   1HG2  VAL  14          3HG2      VAL  14  10.231  -7.589   8.031
  133   2HG2  VAL  14          2HG2      VAL  14  11.790  -7.508   7.210
  134   3HG2  VAL  14          1HG2      VAL  14  10.859  -9.006   7.191
  135    H    ASP  15           H        ASP  15  14.194  -8.130   8.573
  136    HA   ASP  15           HA       ASP  15  15.225  -5.439   8.074
  137   1HB   ASP  15           HB2      ASP  15  16.505  -7.717   8.797
  138   2HB   ASP  15           HB3      ASP  15  16.685  -7.791   7.044
  139    H    THR  16           H        THR  16  16.602  -5.867   5.696
  140    HA   THR  16           HA       THR  16  15.171  -7.031   3.606
  141    HB   THR  16           HB       THR  16  13.491  -5.241   4.388
  142    HG1  THR  16           HG1      THR  16  13.623  -6.384   2.257
  143   1HG2  THR  16          3HG2      THR  16  15.086  -3.395   4.593
  144   2HG2  THR  16          2HG2      THR  16  15.404  -3.480   2.862
  145   3HG2  THR  16          1HG2      THR  16  13.805  -3.016   3.442
  146    H    HIS  17           H        HIS  17  15.542  -5.559   1.465
  147    HA   HIS  17           HA       HIS  17  18.376  -4.746   1.506
  148   1HB   HIS  17           HB2      HIS  17  16.796  -6.222  -0.603
  149   2HB   HIS  17           HB3      HIS  17  18.363  -5.491  -0.928
  150    HD1  HIS  17           HD1      HIS  17  20.408  -6.789  -0.238
  151    HD2  HIS  17           HD2      HIS  17  16.888  -8.418   1.252
  152    HE1  HIS  17           HE1      HIS  17  21.061  -9.005   0.754
  153    HE2  HIS  17           HE2      HIS  17  18.902 -10.009   1.578
  154    H    VAL  18           H        VAL  18  18.383  -3.763  -1.180
  155    HA   VAL  18           HA       VAL  18  16.891  -1.285  -0.737
  156    HB   VAL  18           HB       VAL  18  19.002  -1.845  -2.823
  157   1HG1  VAL  18          1HG1      VAL  18  17.697   0.715  -1.897
  158   2HG1  VAL  18          3HG1      VAL  18  19.096   0.631  -2.968
  159   3HG1  VAL  18          2HG1      VAL  18  17.549  -0.038  -3.485
  160   1HG2  VAL  18          2HG2      VAL  18  19.239  -0.470  -0.148
  161   2HG2  VAL  18          1HG2      VAL  18  19.940  -2.028  -0.587
  162   3HG2  VAL  18          3HG2      VAL  18  20.505  -0.554  -1.373
  163    H    GLY  19           H        GLY  19  15.061  -0.900  -1.729
  164   1HA   GLY  19           HA3      GLY  19  14.575  -1.352  -4.470
  165   2HA   GLY  19           HA2      GLY  19  13.376  -0.911  -3.271
  166    H    LYS  20           H        LYS  20  14.340  -3.496  -1.802
  167    HA   LYS  20           HA       LYS  20  13.651  -5.692  -3.374
  168   1HB   LYS  20           HB2      LYS  20  14.496  -5.370  -0.803
  169   2HB   LYS  20           HB3      LYS  20  12.824  -5.828  -0.553
  170   1HG   LYS  20           HG2      LYS  20  14.246  -7.774  -0.489
  171   2HG   LYS  20           HG3      LYS  20  13.161  -7.844  -1.883
  172   1HD   LYS  20           HD2      LYS  20  15.132  -6.668  -3.097
  173   2HD   LYS  20           HD3      LYS  20  16.096  -7.333  -1.786
  174   1HE   LYS  20           HE2      LYS  20  15.234  -9.581  -2.324
  175   2HE   LYS  20           HE3      LYS  20  14.342  -8.890  -3.679
  176   1HZ   LYS  20           HZ1      LYS  20  16.441  -8.196  -4.658
  177   2HZ   LYS  20           HZ3      LYS  20  17.294  -8.870  -3.362
  178   3HZ   LYS  20           HZ2      LYS  20  16.419  -9.868  -4.409
  179    H    THR  21           H        THR  21  11.882  -5.277  -4.641
  180    HA   THR  21           HA       THR  21   9.474  -4.137  -3.838
  181    HB   THR  21           HB       THR  21   9.664  -6.263  -5.965
  182    HG1  THR  21           HG1      THR  21  11.336  -4.676  -6.241
  183   1HG2  THR  21          1HG2      THR  21   7.939  -3.803  -5.647
  184   2HG2  THR  21          3HG2      THR  21   7.916  -4.894  -7.033
  185   3HG2  THR  21          2HG2      THR  21   7.419  -5.476  -5.444
  186    H    THR  22           H        THR  22   8.482  -4.845  -2.051
  187    HA   THR  22           HA       THR  22   7.957  -7.716  -1.764
  188    HB   THR  22           HB       THR  22   7.762  -5.441   0.218
  189    HG1  THR  22           HG1      THR  22   9.841  -6.109   0.107
  190   1HG2  THR  22          3HG2      THR  22   5.932  -7.041   0.607
  191   2HG2  THR  22          2HG2      THR  22   7.106  -8.356   0.668
  192   3HG2  THR  22          1HG2      THR  22   7.131  -7.092   1.899
  193    H    GLU  23           H        GLU  23   6.253  -8.155  -3.013
  194    HA   GLU  23           HA       GLU  23   3.950  -6.470  -3.184
  195   1HB   GLU  23           HB2      GLU  23   4.802  -7.911  -5.035
  196   2HB   GLU  23           HB3      GLU  23   4.323  -9.320  -4.102
  197   1HG   GLU  23           HG2      GLU  23   2.023  -8.726  -4.237
  198   2HG   GLU  23           HG3      GLU  23   2.424  -7.156  -4.936
  199    H    ILE  24           H        ILE  24   2.036  -6.667  -2.149
  200    HA   ILE  24           HA       ILE  24   1.634  -8.990  -0.409
  201    HB   ILE  24           HB       ILE  24   1.200  -6.159   0.499
  202   1HG1  ILE  24          2HG1      ILE  24   3.391  -8.111   1.217
  203   2HG1  ILE  24          3HG1      ILE  24   3.592  -6.634   0.282
  204   1HG2  ILE  24          1HG2      ILE  24  -0.321  -7.797   1.490
  205   2HG2  ILE  24          3HG2      ILE  24   1.059  -8.771   1.999
  206   3HG2  ILE  24          2HG2      ILE  24   0.810  -7.167   2.688
  207   1HD1  ILE  24          2HD1      ILE  24   2.865  -5.345   2.267
  208   2HD1  ILE  24          1HD1      ILE  24   2.850  -6.851   3.184
  209   3HD1  ILE  24          3HD1      ILE  24   4.360  -6.249   2.502
  210    H    HIS  25           H        HIS  25  -0.091  -9.837  -1.433
  211    HA   HIS  25           HA       HIS  25  -2.312  -8.199  -2.277
  212   1HB   HIS  25           HB2      HIS  25  -2.324 -11.204  -2.103
  213   2HB   HIS  25           HB3      HIS  25  -3.232 -10.168  -3.190
  214    HD1  HIS  25           HD1      HIS  25  -0.540 -12.414  -3.301
  215    HD2  HIS  25           HD2      HIS  25  -1.209  -8.653  -4.937
  216    HE1  HIS  25           HE1      HIS  25   1.064 -12.224  -5.228
  217    HE2  HIS  25           HE2      HIS  25   0.566  -9.984  -6.267
  218    H    LEU  26           H        LEU  26  -3.702  -7.475  -0.823
  219    HA   LEU  26           HA       LEU  26  -4.164  -9.057   1.614
  220   1HB   LEU  26           HB2      LEU  26  -4.627  -6.117   1.142
  221   2HB   LEU  26           HB3      LEU  26  -4.873  -6.962   2.657
  222    HG   LEU  26           HG       LEU  26  -2.182  -6.762   1.311
  223   1HD1  LEU  26          1HD1      LEU  26  -2.985  -4.518   1.813
  224   2HD1  LEU  26          3HD1      LEU  26  -3.339  -5.005   3.470
  225   3HD1  LEU  26          2HD1      LEU  26  -1.671  -4.976   2.897
  226   1HD2  LEU  26          1HD2      LEU  26  -2.552  -8.586   2.968
  227   2HD2  LEU  26          3HD2      LEU  26  -1.305  -7.429   3.435
  228   3HD2  LEU  26          2HD2      LEU  26  -2.904  -7.350   4.178
  229    H    LYS  27           H        LYS  27  -6.297  -9.181   2.451
  230    HA   LYS  27           HA       LYS  27  -8.359  -8.894   0.373
  231   1HB   LYS  27           HB2      LYS  27  -8.661 -10.669   2.769
  232   2HB   LYS  27           HB3      LYS  27  -9.456 -10.778   1.206
  233   1HG   LYS  27           HG2      LYS  27  -7.284 -11.414   0.193
  234   2HG   LYS  27           HG3      LYS  27  -6.582 -11.433   1.813
  235   1HD   LYS  27           HD2      LYS  27  -8.166 -13.162   2.492
  236   2HD   LYS  27           HD3      LYS  27  -8.889 -13.139   0.882
  237   1HE   LYS  27           HE2      LYS  27  -6.043 -13.889   1.546
  238   2HE   LYS  27           HE3      LYS  27  -7.339 -15.006   1.121
  239   1HZ   LYS  27           HZ1      LYS  27  -6.240 -12.888  -0.647
  240   2HZ   LYS  27           HZ3      LYS  27  -5.916 -14.544  -0.772
  241   3HZ   LYS  27           HZ2      LYS  27  -7.479 -13.965  -1.053
  242    H    GLY  28           H        GLY  28 -10.490  -8.272   1.081
  243   1HA   GLY  28           HA3      GLY  28 -10.424  -6.019   2.786
  244   2HA   GLY  28           HA2      GLY  28 -11.133  -7.377   3.638
  245    H    ASN  29           H        ASN  29 -11.569  -7.288   0.243
  246    HA   ASN  29           HA       ASN  29 -13.394  -7.016  -1.086
  247   1HB   ASN  29           HB2      ASN  29 -14.431  -8.566   0.566
  248   2HB   ASN  29           HB3      ASN  29 -14.979  -7.167   1.488
  249   1HD2  ASN  29          1HD2      ASN  29 -17.133  -7.660   1.250
  250   2HD2  ASN  29          2HD2      ASN  29 -17.968  -7.501  -0.253
  251    HA   PRO  30           HA       PRO  30 -13.167  -2.456  -0.461
  252   1HB   PRO  30           HB2      PRO  30 -14.077  -2.768  -3.288
  253   2HB   PRO  30           HB3      PRO  30 -12.866  -1.672  -2.611
  254   1HG   PRO  30           HG2      PRO  30 -12.119  -3.845  -3.941
  255   2HG   PRO  30           HG3      PRO  30 -11.252  -3.341  -2.478
  256   1HD   PRO  30           HD2      PRO  30 -13.197  -5.567  -2.859
  257   2HD   PRO  30           HD3      PRO  30 -11.768  -5.480  -1.812
  258    H    THR  31           H        THR  31 -15.757  -4.544  -1.468
  259    HA   THR  31           HA       THR  31 -17.733  -2.429  -1.482
  260    HB   THR  31           HB       THR  31 -19.362  -4.202  -1.927
  261    HG1  THR  31           HG1      THR  31 -18.369  -5.867  -0.681
  262   1HG2  THR  31          1HG2      THR  31 -18.111  -3.263  -3.808
  263   2HG2  THR  31          3HG2      THR  31 -16.852  -4.479  -3.586
  264   3HG2  THR  31          2HG2      THR  31 -18.473  -4.968  -4.079
  265    H    THR  32           H        THR  32 -16.181  -3.170   1.017
  266    HA   THR  32           HA       THR  32 -18.477  -3.848   2.733
  267    HB   THR  32           HB       THR  32 -16.483  -5.375   2.864
  268    HG1  THR  32           HG1      THR  32 -16.517  -5.348   5.192
  269   1HG2  THR  32          2HG2      THR  32 -14.772  -3.571   2.633
  270   2HG2  THR  32          1HG2      THR  32 -15.180  -3.040   4.264
  271   3HG2  THR  32          3HG2      THR  32 -14.496  -4.644   4.005
  272    H    GLY  33           H        GLY  33 -15.804  -1.588   2.277
  273   1HA   GLY  33           HA3      GLY  33 -16.812   0.042   4.504
  274   2HA   GLY  33           HA2      GLY  33 -16.757   0.751   2.897
  275    H    TYR  34           H        TYR  34 -14.685  -0.868   5.297
  276    HA   TYR  34           HA       TYR  34 -12.764   1.164   5.340
  277   1HB   TYR  34           HB2      TYR  34 -12.560  -1.743   6.125
  278   2HB   TYR  34           HB3      TYR  34 -11.294  -0.561   6.437
  279    HD1  TYR  34           HD1      TYR  34 -14.835  -1.385   7.169
  280    HD2  TYR  34           HD2      TYR  34 -11.401   0.854   8.330
  281    HE1  TYR  34           HE1      TYR  34 -15.955  -0.764   9.268
  282    HE2  TYR  34           HE2      TYR  34 -12.516   1.478  10.429
  283    HH   TYR  34           HH       TYR  34 -15.349  -0.030  11.532
  284    H    MET  35           H        MET  35 -10.505   1.027   4.707
  285    HA   MET  35           HA       MET  35 -10.098  -0.379   2.165
  286   1HB   MET  35           HB2      MET  35 -10.229   1.824   1.460
  287   2HB   MET  35           HB3      MET  35  -9.589   2.451   2.974
  288   1HG   MET  35           HG2      MET  35  -7.369   1.598   2.359
  289   2HG   MET  35           HG3      MET  35  -8.030   1.065   0.830
  290   1HE   MET  35           HE2      MET  35  -9.986   3.275  -0.050
  291   2HE   MET  35           HE1      MET  35  -8.969   4.412  -0.936
  292   3HE   MET  35           HE3      MET  35  -8.752   2.676  -1.157
  293    H    TRP  36           H        TRP  36  -7.986  -1.070   1.745
  294    HA   TRP  36           HA       TRP  36  -6.274  -1.234   4.130
  295   1HB   TRP  36           HB2      TRP  36  -7.032  -3.168   2.079
  296   2HB   TRP  36           HB3      TRP  36  -5.299  -3.080   2.342
  297    HD1  TRP  36           HD1      TRP  36  -8.071  -5.042   3.464
  298    HE1  TRP  36           HE1      TRP  36  -7.689  -6.032   5.813
  299    HE3  TRP  36           HE3      TRP  36  -4.142  -2.127   4.947
  300    HZ2  TRP  36           HZ2      TRP  36  -5.953  -5.630   7.996
  301    HZ3  TRP  36           HZ3      TRP  36  -3.181  -2.496   7.176
  302    HH2  TRP  36           HH2      TRP  36  -4.071  -4.208   8.667
  303    H    THR  37           H        THR  37  -5.324   0.801   3.727
  304    HA   THR  37           HA       THR  37  -3.356   0.743   1.534
  305    HB   THR  37           HB       THR  37  -5.322   2.249   1.008
  306    HG1  THR  37           HG1      THR  37  -3.834   4.048   0.468
  307   1HG2  THR  37          2HG2      THR  37  -5.702   3.105   3.268
  308   2HG2  THR  37          1HG2      THR  37  -4.123   3.892   3.243
  309   3HG2  THR  37          3HG2      THR  37  -5.391   4.424   2.139
  310    H    ARG  38           H        ARG  38  -2.117   3.221   2.154
  311    HA   ARG  38           HA       ARG  38  -0.791   2.475   4.645
  312   1HB   ARG  38           HB2      ARG  38  -0.045   4.091   2.262
  313   2HB   ARG  38           HB3      ARG  38   0.664   4.547   3.795
  314   1HG   ARG  38           HG2      ARG  38   1.691   2.447   4.058
  315   2HG   ARG  38           HG3      ARG  38   0.818   1.786   2.673
  316   1HD   ARG  38           HD2      ARG  38   3.209   2.465   2.268
  317   2HD   ARG  38           HD3      ARG  38   2.038   3.100   1.149
  318    HE   ARG  38           HE       ARG  38   2.282   5.232   2.211
  319   1HH1  ARG  38          1HH1      ARG  38   4.539   2.794   3.263
  320   2HH1  ARG  38          2HH1      ARG  38   5.722   3.937   3.806
  321   1HH2  ARG  38          1HH2      ARG  38   3.852   6.747   2.906
  322   2HH2  ARG  38          2HH2      ARG  38   5.331   6.180   3.607
  323    H    VAL  39           H        VAL  39  -1.272   3.436   6.493
  324    HA   VAL  39           HA       VAL  39  -3.203   5.370   6.847
  325    HB   VAL  39           HB       VAL  39  -2.559   4.094   8.735
  326   1HG1  VAL  39          2HG1      VAL  39  -0.255   3.649   7.996
  327   2HG1  VAL  39          1HG1      VAL  39   0.203   5.273   8.510
  328   3HG1  VAL  39          3HG1      VAL  39  -0.344   4.093   9.701
  329   1HG2  VAL  39          3HG2      VAL  39  -3.264   6.376   9.260
  330   2HG2  VAL  39          2HG2      VAL  39  -2.100   5.772  10.439
  331   3HG2  VAL  39          1HG2      VAL  39  -1.584   6.911   9.195
  332    H    GLY  40           H        GLY  40  -3.246   7.577   7.013
  333   1HA   GLY  40           HA3      GLY  40  -0.778   9.105   6.858
  334   2HA   GLY  40           HA2      GLY  40  -2.401   9.757   7.044
  335    H    PHE  41           H        PHE  41  -2.383   7.482   4.628
  336    HA   PHE  41           HA       PHE  41  -2.168   9.556   2.550
  337   1HB   PHE  41           HB2      PHE  41  -1.304   6.675   2.244
  338   2HB   PHE  41           HB3      PHE  41  -1.116   7.964   1.061
  339    HD1  PHE  41           HD1      PHE  41   0.309   6.281   3.860
  340    HD2  PHE  41           HD2      PHE  41   0.400   9.908   1.646
  341    HE1  PHE  41           HE1      PHE  41   2.503   6.817   4.840
  342    HE2  PHE  41           HE2      PHE  41   2.597  10.453   2.612
  343    HZ   PHE  41           HZ       PHE  41   3.651   8.906   4.214
  344    H    VAL  42           H        VAL  42  -4.137   7.572   4.155
  345    HA   VAL  42           HA       VAL  42  -5.643   6.171   2.292
  346    HB   VAL  42           HB       VAL  42  -6.795   7.550   4.715
  347   1HG1  VAL  42          2HG1      VAL  42  -8.361   6.457   3.127
  348   2HG1  VAL  42          1HG1      VAL  42  -7.528   4.931   3.420
  349   3HG1  VAL  42          3HG1      VAL  42  -8.371   5.743   4.739
  350   1HG2  VAL  42          1HG2      VAL  42  -4.610   6.243   5.071
  351   2HG2  VAL  42          3HG2      VAL  42  -5.986   5.873   6.107
  352   3HG2  VAL  42          2HG2      VAL  42  -5.588   4.811   4.758
  353    H    GLY  43           H        GLY  43  -6.758   6.832   0.590
  354   1HA   GLY  43           HA3      GLY  43  -8.253   9.350   0.739
  355   2HA   GLY  43           HA2      GLY  43  -8.505   8.067  -0.436
  356    H    LYS  44           H        LYS  44  -5.300   9.162   0.299
  357    HA   LYS  44           HA       LYS  44  -5.106  11.137  -1.733
  358   1HB   LYS  44           HB2      LYS  44  -2.952   9.570  -0.303
  359   2HB   LYS  44           HB3      LYS  44  -2.680  10.989  -1.297
  360   1HG   LYS  44           HG2      LYS  44  -4.135  12.276   0.272
  361   2HG   LYS  44           HG3      LYS  44  -4.173  10.849   1.309
  362   1HD   LYS  44           HD2      LYS  44  -2.478  12.335   2.129
  363   2HD   LYS  44           HD3      LYS  44  -1.686  10.932   1.408
  364   1HE   LYS  44           HE2      LYS  44  -0.558  13.000   0.776
  365   2HE   LYS  44           HE3      LYS  44  -1.264  12.204  -0.629
  366   1HZ   LYS  44           HZ2      LYS  44  -2.454  14.501   0.830
  367   2HZ   LYS  44           HZ1      LYS  44  -1.667  14.583  -0.664
  368   3HZ   LYS  44           HZ3      LYS  44  -3.126  13.738  -0.521
  369    H    ASP  45           H        ASP  45  -3.289  10.872  -3.439
  370    HA   ASP  45           HA       ASP  45  -4.066   8.734  -5.167
  371   1HB   ASP  45           HB2      ASP  45  -2.045  10.960  -5.390
  372   2HB   ASP  45           HB3      ASP  45  -2.287   9.766  -6.655
  373    H    VAL  46           H        VAL  46  -0.881   9.745  -3.945
  374    HA   VAL  46           HA       VAL  46   0.003   6.941  -4.128
  375    HB   VAL  46           HB       VAL  46   1.215   8.614  -5.538
  376   1HG1  VAL  46          3HG1      VAL  46   1.116  10.513  -4.022
  377   2HG1  VAL  46          2HG1      VAL  46   2.151   9.665  -2.873
  378   3HG1  VAL  46          1HG1      VAL  46   2.786  10.140  -4.448
  379   1HG2  VAL  46          3HG2      VAL  46   2.828   7.234  -3.395
  380   2HG2  VAL  46          2HG2      VAL  46   2.266   6.516  -4.904
  381   3HG2  VAL  46          1HG2      VAL  46   3.458   7.815  -4.936
  382    H    LEU  47           H        LEU  47   0.946   5.954  -2.424
  383    HA   LEU  47           HA       LEU  47   0.565   7.198   0.175
  384   1HB   LEU  47           HB2      LEU  47   1.662   4.457  -0.204
  385   2HB   LEU  47           HB3      LEU  47   0.646   5.072   1.081
  386    HG   LEU  47           HG       LEU  47  -0.277   4.520  -1.740
  387   1HD1  LEU  47          1HD1      LEU  47  -0.674   2.951   0.804
  388   2HD1  LEU  47          3HD1      LEU  47  -1.493   2.632  -0.726
  389   3HD1  LEU  47          2HD1      LEU  47   0.259   2.453  -0.609
  390   1HD2  LEU  47          2HD2      LEU  47  -1.808   5.299   0.737
  391   2HD2  LEU  47          1HD2      LEU  47  -1.557   6.294  -0.698
  392   3HD2  LEU  47          3HD2      LEU  47  -2.526   4.823  -0.804
  393    H    SER  48           H        SER  48   3.115   5.469  -1.558
  394    HA   SER  48           HA       SER  48   5.252   5.877   0.115
  395   1HB   SER  48           HB2      SER  48   6.635   5.415  -1.779
  396   2HB   SER  48           HB3      SER  48   5.156   4.487  -1.986
  397    HG   SER  48           HG       SER  48   4.548   5.767  -3.599
  398    H    ASP  49           H        ASP  49   7.280   7.228  -0.832
  399    HA   ASP  49           HA       ASP  49   6.589   9.879  -1.714
  400   1HB   ASP  49           HB2      ASP  49   7.439   9.382   1.132
  401   2HB   ASP  49           HB3      ASP  49   7.710  10.931   0.340
  402    H    GLU  50           H        GLU  50   9.270   9.225   0.425
  403    HA   GLU  50           HA       GLU  50  11.099   9.148  -1.875
  404   1HB   GLU  50           HB2      GLU  50  12.613  10.639  -0.704
  405   2HB   GLU  50           HB3      GLU  50  11.031  11.394  -0.861
  406   1HG   GLU  50           HG2      GLU  50  10.504  10.832   1.438
  407   2HG   GLU  50           HG3      GLU  50  12.066  10.031   1.612
  408    H    ILE  51           H        ILE  51  10.343   8.174   1.374
  409    HA   ILE  51           HA       ILE  51  12.801   6.809   1.895
  410    HB   ILE  51           HB       ILE  51  10.164   6.281   3.245
  411   1HG1  ILE  51          2HG1      ILE  51  10.604   8.726   3.113
  412   2HG1  ILE  51          3HG1      ILE  51  10.611   8.105   4.757
  413   1HG2  ILE  51          3HG2      ILE  51  13.033   6.053   4.128
  414   2HG2  ILE  51          2HG2      ILE  51  11.647   5.876   5.205
  415   3HG2  ILE  51          1HG2      ILE  51  11.879   4.745   3.873
  416   1HD1  ILE  51          2HD1      ILE  51  13.063   8.679   3.111
  417   2HD1  ILE  51          1HD1      ILE  51  12.395   9.733   4.359
  418   3HD1  ILE  51          3HD1      ILE  51  13.030   8.146   4.792
  419    H    LEU  52           H        LEU  52   9.589   5.324   1.929
  420    HA   LEU  52           HA       LEU  52  10.718   2.983   0.572
  421   1HB   LEU  52           HB2      LEU  52   8.673   3.411   2.617
  422   2HB   LEU  52           HB3      LEU  52   8.165   2.304   1.357
  423    HG   LEU  52           HG       LEU  52  10.709   1.997   2.939
  424   1HD1  LEU  52          2HD1      LEU  52   8.039   0.648   3.313
  425   2HD1  LEU  52          1HD1      LEU  52   9.532   0.216   4.148
  426   3HD1  LEU  52          3HD1      LEU  52   8.794   1.795   4.419
  427   1HD2  LEU  52          2HD2      LEU  52  10.623   0.952   0.678
  428   2HD2  LEU  52          1HD2      LEU  52  10.807  -0.202   2.000
  429   3HD2  LEU  52          3HD2      LEU  52   9.238   0.008   1.222
  430    H    GLU  53           H        GLU  53  10.407   2.889  -1.570
  431    HA   GLU  53           HA       GLU  53   8.410   4.366  -2.941
  432   1HB   GLU  53           HB2      GLU  53  10.572   2.526  -3.626
  433   2HB   GLU  53           HB3      GLU  53   9.170   2.341  -4.669
  434   1HG   GLU  53           HG2      GLU  53  10.068   5.094  -4.167
  435   2HG   GLU  53           HG3      GLU  53  11.148   4.075  -5.113
  436    H    VAL  54           H        VAL  54   6.673   3.537  -1.454
  437    HA   VAL  54           HA       VAL  54   5.746   0.864  -1.770
  438    HB   VAL  54           HB       VAL  54   4.145   3.195  -0.741
  439   1HG1  VAL  54          1HG1      VAL  54   3.980   0.221  -0.284
  440   2HG1  VAL  54          3HG1      VAL  54   2.990   1.428   0.533
  441   3HG1  VAL  54          2HG1      VAL  54   2.852   1.211  -1.211
  442   1HG2  VAL  54          3HG2      VAL  54   6.229   1.521   0.622
  443   2HG2  VAL  54          2HG2      VAL  54   6.075   3.275   0.579
  444   3HG2  VAL  54          1HG2      VAL  54   4.938   2.315   1.524
  445    H    VAL  55           H        VAL  55   5.627   0.748  -4.100
  446    HA   VAL  55           HA       VAL  55   3.652   2.321  -5.471
  447    HB   VAL  55           HB       VAL  55   4.934  -0.238  -6.410
  448   1HG1  VAL  55          3HG1      VAL  55   2.871   0.605  -7.569
  449   2HG1  VAL  55          2HG1      VAL  55   3.800   2.034  -8.023
  450   3HG1  VAL  55          1HG1      VAL  55   4.294   0.442  -8.601
  451   1HG2  VAL  55          3HG2      VAL  55   6.665   1.381  -5.820
  452   2HG2  VAL  55          2HG2      VAL  55   6.571   1.178  -7.570
  453   3HG2  VAL  55          1HG2      VAL  55   5.868   2.604  -6.808
  454    H    CYS  56           H        CYS  56   1.884   1.922  -4.131
  455    HA   CYS  56           HA       CYS  56   0.801  -0.790  -4.077
  456   1HB   CYS  56           HB2      CYS  56   0.814   0.234  -1.926
  457   2HB   CYS  56           HB3      CYS  56   0.100   1.716  -2.552
  458    HG   CYS  56           HG       CYS  56  -1.778   0.358  -0.959
  459    H    LYS  57           H        LYS  57  -0.997  -1.388  -5.099
  460    HA   LYS  57           HA       LYS  57  -2.524   0.674  -6.526
  461   1HB   LYS  57           HB2      LYS  57  -1.925  -2.082  -7.589
  462   2HB   LYS  57           HB3      LYS  57  -2.773  -0.794  -8.426
  463   1HG   LYS  57           HG2      LYS  57  -0.705  -0.641  -9.386
  464   2HG   LYS  57           HG3      LYS  57  -0.542   0.516  -8.064
  465   1HD   LYS  57           HD2      LYS  57   1.429  -0.796  -8.050
  466   2HD   LYS  57           HD3      LYS  57   0.445  -1.362  -6.698
  467   1HE   LYS  57           HE2      LYS  57   1.394  -3.247  -7.894
  468   2HE   LYS  57           HE3      LYS  57  -0.359  -3.224  -8.078
  469   1HZ   LYS  57           HZ3      LYS  57  -0.082  -2.227 -10.261
  470   2HZ   LYS  57           HZ2      LYS  57   1.600  -2.252 -10.086
  471   3HZ   LYS  57           HZ1      LYS  57   0.737  -3.705 -10.170
  472    H    TYR  58           H        TYR  58  -4.456   0.747  -5.701
  473    HA   TYR  58           HA       TYR  58  -5.595  -1.497  -4.285
  474   1HB   TYR  58           HB2      TYR  58  -5.816   0.894  -3.507
  475   2HB   TYR  58           HB3      TYR  58  -6.866   1.185  -4.890
  476    HD1  TYR  58           HD1      TYR  58  -7.118   1.073  -1.617
  477    HD2  TYR  58           HD2      TYR  58  -8.584  -1.191  -4.921
  478    HE1  TYR  58           HE1      TYR  58  -9.071   0.375  -0.290
  479    HE2  TYR  58           HE2      TYR  58 -10.517  -1.910  -3.599
  480    HH   TYR  58           HH       TYR  58 -11.364  -0.434  -0.657
  481    H    THR  59           H        THR  59  -6.383  -3.091  -5.498
  482    HA   THR  59           HA       THR  59  -7.806  -2.450  -7.977
  483    HB   THR  59           HB       THR  59  -7.105  -5.215  -6.994
  484    HG1  THR  59           HG1      THR  59  -5.359  -4.648  -8.779
  485   1HG2  THR  59          2HG2      THR  59  -8.753  -4.994  -8.832
  486   2HG2  THR  59          1HG2      THR  59  -7.545  -4.123  -9.776
  487   3HG2  THR  59          3HG2      THR  59  -7.273  -5.809  -9.337
  488    HA   PRO  60           HA       PRO  60 -11.494  -3.485  -5.591
  489   1HB   PRO  60           HB2      PRO  60 -13.080  -1.641  -6.656
  490   2HB   PRO  60           HB3      PRO  60 -11.764  -1.164  -5.579
  491   1HG   PRO  60           HG2      PRO  60 -11.985  -0.923  -8.531
  492   2HG   PRO  60           HG3      PRO  60 -11.099   0.095  -7.382
  493   1HD   PRO  60           HD2      PRO  60 -10.076  -2.035  -8.992
  494   2HD   PRO  60           HD3      PRO  60  -9.204  -1.056  -7.796
  495    H    THR  61           H        THR  61 -13.969  -3.427  -6.631
  496    HA   THR  61           HA       THR  61 -13.990  -4.675  -9.251
  497    HB   THR  61           HB       THR  61 -15.477  -6.192  -7.184
  498    HG1  THR  61           HG1      THR  61 -13.346  -7.480  -7.098
  499   1HG2  THR  61          1HG2      THR  61 -15.615  -6.746  -9.580
  500   2HG2  THR  61          3HG2      THR  61 -13.878  -7.049  -9.593
  501   3HG2  THR  61          2HG2      THR  61 -14.944  -8.070  -8.628
  502    HA   PRO  62           HA       PRO  62 -17.912  -2.543  -9.093
  503   1HB   PRO  62           HB2      PRO  62 -18.544  -2.739 -11.665
  504   2HB   PRO  62           HB3      PRO  62 -17.144  -1.784 -11.163
  505   1HG   PRO  62           HG2      PRO  62 -17.248  -4.515 -12.367
  506   2HG   PRO  62           HG3      PRO  62 -16.076  -3.213 -12.635
  507   1HD   PRO  62           HD2      PRO  62 -15.743  -5.409 -10.911
  508   2HD   PRO  62           HD3      PRO  62 -14.763  -3.931 -10.928
  509    H    SER  63           H        SER  63 -18.138  -4.976  -7.950
  510    HA   SER  63           HA       SER  63 -20.757  -5.807  -8.738
  511   1HB   SER  63           HB2      SER  63 -19.174  -7.024 -10.344
  512   2HB   SER  63           HB3      SER  63 -18.627  -7.936  -8.938
  513    HG   SER  63           HG       SER  63 -21.360  -7.808  -9.218
  514    H    SER  64           H        SER  64 -21.345  -7.901  -7.417
  515    HA   SER  64           HA       SER  64 -20.478  -7.378  -4.674
  516   1HB   SER  64           HB2      SER  64 -22.809  -9.001  -5.726
  517   2HB   SER  64           HB3      SER  64 -22.465  -8.699  -4.023
  518    HG   SER  64           HG       SER  64 -22.848  -6.615  -5.898
  519    H    THR  65           H        THR  65 -19.595  -9.336  -7.134
  520    HA   THR  65           HA       THR  65 -19.426 -11.895  -5.979
  521    HB   THR  65           HB       THR  65 -17.715 -12.364  -7.692
  522    HG1  THR  65           HG1      THR  65 -16.730 -10.234  -7.603
  523   1HG2  THR  65          1HG2      THR  65 -20.076 -12.454  -8.319
  524   2HG2  THR  65          3HG2      THR  65 -20.042 -10.737  -8.724
  525   3HG2  THR  65          2HG2      THR  65 -19.090 -11.884  -9.666
  526    HA   PRO  66           HA       PRO  66 -16.034 -11.590  -3.163
  527   1HB   PRO  66           HB2      PRO  66 -14.803 -13.981  -3.442
  528   2HB   PRO  66           HB3      PRO  66 -16.396 -13.823  -2.698
  529   1HG   PRO  66           HG2      PRO  66 -15.684 -14.595  -5.504
  530   2HG   PRO  66           HG3      PRO  66 -16.846 -15.357  -4.400
  531   1HD   PRO  66           HD2      PRO  66 -17.618 -13.645  -6.342
  532   2HD   PRO  66           HD3      PRO  66 -18.456 -13.741  -4.780
  533    H    MET  67           H        MET  67 -13.508 -12.873  -3.443
  534    HA   MET  67           HA       MET  67 -12.045 -10.893  -4.771
  535   1HB   MET  67           HB2      MET  67 -11.170 -13.682  -4.006
  536   2HB   MET  67           HB3      MET  67 -10.095 -12.356  -4.424
  537   1HG   MET  67           HG2      MET  67 -10.879 -11.098  -2.491
  538   2HG   MET  67           HG3      MET  67 -11.977 -12.413  -2.076
  539   1HE   MET  67           HE3      MET  67 -11.183 -14.812  -1.275
  540   2HE   MET  67           HE2      MET  67 -10.214 -14.977  -2.739
  541   3HE   MET  67           HE1      MET  67  -9.490 -15.294  -1.163
  542    H    VAL  68           H        VAL  68 -13.728 -13.520  -6.036
  543    HA   VAL  68           HA       VAL  68 -12.037 -13.919  -8.349
  544    HB   VAL  68           HB       VAL  68 -14.830 -14.950  -7.825
  545   1HG1  VAL  68          2HG1      VAL  68 -12.750 -15.796  -9.839
  546   2HG1  VAL  68          1HG1      VAL  68 -14.287 -16.611  -9.552
  547   3HG1  VAL  68          3HG1      VAL  68 -14.266 -14.965 -10.188
  548   1HG2  VAL  68          1HG2      VAL  68 -12.154 -16.266  -7.371
  549   2HG2  VAL  68          3HG2      VAL  68 -13.277 -15.727  -6.123
  550   3HG2  VAL  68          2HG2      VAL  68 -13.725 -17.050  -7.200
  551    H    GLY  69           H        GLY  69 -11.957 -12.272  -9.760
  552   1HA   GLY  69           HA3      GLY  69 -14.144 -10.487 -10.210
  553   2HA   GLY  69           HA2      GLY  69 -13.993 -11.661 -11.508
  554    H    VAL  70           H        VAL  70 -13.238  -8.615 -10.700
  555    HA   VAL  70           HA       VAL  70 -10.827  -8.619 -12.393
  556    HB   VAL  70           HB       VAL  70 -12.861  -7.520 -13.360
  557   1HG1  VAL  70          2HG1      VAL  70 -12.432  -5.587 -11.089
  558   2HG1  VAL  70          1HG1      VAL  70 -13.459  -5.277 -12.489
  559   3HG1  VAL  70          3HG1      VAL  70 -13.853  -6.592 -11.381
  560   1HG2  VAL  70          3HG2      VAL  70 -10.552  -6.932 -14.043
  561   2HG2  VAL  70          2HG2      VAL  70 -11.698  -5.603 -14.224
  562   3HG2  VAL  70          1HG2      VAL  70 -10.575  -5.621 -12.865
  563    H    GLY  71           H        GLY  71 -11.167  -8.802  -9.381
  564   1HA   GLY  71           HA3      GLY  71  -9.905  -6.308  -8.523
  565   2HA   GLY  71           HA2      GLY  71  -8.978  -7.790  -8.361
  566    H    GLY  72           H        GLY  72 -10.235  -5.791  -6.419
  567   1HA   GLY  72           HA3      GLY  72 -11.891  -7.677  -4.890
  568   2HA   GLY  72           HA2      GLY  72 -11.860  -5.936  -4.661
  569    H    ILE  73           H        ILE  73  -8.776  -6.244  -4.919
  570    HA   ILE  73           HA       ILE  73  -8.398  -6.824  -2.076
  571    HB   ILE  73           HB       ILE  73  -6.306  -7.968  -2.492
  572   1HG1  ILE  73          2HG1      ILE  73  -6.910  -8.295  -5.387
  573   2HG1  ILE  73          3HG1      ILE  73  -6.118  -6.814  -4.850
  574   1HG2  ILE  73          3HG2      ILE  73  -8.399  -9.239  -2.275
  575   2HG2  ILE  73          2HG2      ILE  73  -8.506  -9.292  -4.035
  576   3HG2  ILE  73          1HG2      ILE  73  -7.154 -10.072  -3.206
  577   1HD1  ILE  73          2HD1      ILE  73  -4.347  -8.157  -3.813
  578   2HD1  ILE  73          1HD1      ILE  73  -5.127  -9.622  -4.413
  579   3HD1  ILE  73          3HD1      ILE  73  -4.476  -8.441  -5.551
  580    H    TYR  74           H        TYR  74  -5.661  -6.476  -1.999
  581    HA   TYR  74           HA       TYR  74  -5.153  -3.797  -3.058
  582   1HB   TYR  74           HB2      TYR  74  -4.390  -4.346  -0.224
  583   2HB   TYR  74           HB3      TYR  74  -4.813  -2.819  -0.996
  584    HD1  TYR  74           HD1      TYR  74  -7.017  -1.973  -0.881
  585    HD2  TYR  74           HD2      TYR  74  -6.246  -5.967   0.362
  586    HE1  TYR  74           HE1      TYR  74  -9.279  -2.119   0.076
  587    HE2  TYR  74           HE2      TYR  74  -8.502  -6.116   1.309
  588    HH   TYR  74           HH       TYR  74 -10.244  -4.562   2.172
  589    H    VAL  75           H        VAL  75  -3.318  -4.078  -4.222
  590    HA   VAL  75           HA       VAL  75  -1.308  -5.951  -3.186
  591    HB   VAL  75           HB       VAL  75  -2.047  -6.468  -5.451
  592   1HG1  VAL  75          1HG1      VAL  75  -2.690  -4.193  -6.130
  593   2HG1  VAL  75          3HG1      VAL  75  -0.983  -3.760  -6.232
  594   3HG1  VAL  75          2HG1      VAL  75  -1.648  -4.981  -7.315
  595   1HG2  VAL  75          2HG2      VAL  75   0.251  -6.978  -4.839
  596   2HG2  VAL  75          1HG2      VAL  75   0.139  -6.542  -6.545
  597   3HG2  VAL  75          3HG2      VAL  75   0.763  -5.377  -5.376
  598    H    VAL  76           H        VAL  76   0.254  -5.061  -2.081
  599    HA   VAL  76           HA       VAL  76   1.077  -2.307  -2.715
  600    HB   VAL  76           HB       VAL  76   1.538  -3.843  -0.158
  601   1HG1  VAL  76          1HG1      VAL  76   1.964  -0.945  -0.873
  602   2HG1  VAL  76          3HG1      VAL  76   2.089  -1.614   0.755
  603   3HG1  VAL  76          2HG1      VAL  76   3.208  -2.140  -0.504
  604   1HG2  VAL  76          3HG2      VAL  76  -0.845  -3.421  -0.540
  605   2HG2  VAL  76          2HG2      VAL  76  -0.222  -2.472   0.810
  606   3HG2  VAL  76          1HG2      VAL  76  -0.502  -1.704  -0.752
  607    H    LEU  77           H        LEU  77   3.010  -1.964  -3.590
  608    HA   LEU  77           HA       LEU  77   5.065  -4.062  -3.365
  609   1HB   LEU  77           HB2      LEU  77   4.683  -1.906  -5.443
  610   2HB   LEU  77           HB3      LEU  77   6.097  -2.938  -5.358
  611    HG   LEU  77           HG       LEU  77   3.257  -3.860  -5.849
  612   1HD1  LEU  77          1HD1      LEU  77   4.196  -2.659  -7.749
  613   2HD1  LEU  77          3HD1      LEU  77   5.628  -3.687  -7.702
  614   3HD1  LEU  77          2HD1      LEU  77   4.056  -4.382  -8.098
  615   1HD2  LEU  77          1HD2      LEU  77   4.976  -5.374  -4.600
  616   2HD2  LEU  77          3HD2      LEU  77   4.004  -6.033  -5.917
  617   3HD2  LEU  77          2HD2      LEU  77   5.678  -5.563  -6.208
  618    H    VAL  78           H        VAL  78   6.256  -3.527  -1.616
  619    HA   VAL  78           HA       VAL  78   6.936  -0.714  -1.198
  620    HB   VAL  78           HB       VAL  78   8.080  -2.411   0.796
  621   1HG1  VAL  78          2HG1      VAL  78   7.494  -0.057   1.098
  622   2HG1  VAL  78          1HG1      VAL  78   5.783  -0.441   0.884
  623   3HG1  VAL  78          3HG1      VAL  78   6.663  -1.062   2.284
  624   1HG2  VAL  78          1HG2      VAL  78   6.391  -4.048   0.113
  625   2HG2  VAL  78          3HG2      VAL  78   6.081  -3.424   1.732
  626   3HG2  VAL  78          2HG2      VAL  78   5.130  -2.842   0.366
  627    H    LYS  79           H        LYS  79   8.674  -0.005  -2.197
  628    HA   LYS  79           HA       LYS  79  11.015  -1.779  -2.434
  629   1HB   LYS  79           HB2      LYS  79   9.873   0.295  -4.266
  630   2HB   LYS  79           HB3      LYS  79  11.590  -0.073  -4.333
  631   1HG   LYS  79           HG2      LYS  79  11.062  -2.423  -4.768
  632   2HG   LYS  79           HG3      LYS  79   9.333  -2.036  -4.737
  633   1HD   LYS  79           HD2      LYS  79  11.338  -0.822  -6.642
  634   2HD   LYS  79           HD3      LYS  79  10.280  -2.180  -7.030
  635   1HE   LYS  79           HE2      LYS  79   8.322  -0.773  -6.598
  636   2HE   LYS  79           HE3      LYS  79   9.383   0.586  -6.226
  637   1HZ   LYS  79           HZ3      LYS  79  10.230   0.495  -8.487
  638   2HZ   LYS  79           HZ2      LYS  79   9.210  -0.805  -8.844
  639   3HZ   LYS  79           HZ1      LYS  79   8.552   0.711  -8.486
  640    HA   PRO  80           HA       PRO  80  12.481   1.297   0.638
  641   1HB   PRO  80           HB2      PRO  80  14.953  -0.056   0.740
  642   2HB   PRO  80           HB3      PRO  80  13.624  -0.183   1.890
  643   1HG   PRO  80           HG2      PRO  80  14.373  -1.981  -0.343
  644   2HG   PRO  80           HG3      PRO  80  13.572  -2.360   1.191
  645   1HD   PRO  80           HD2      PRO  80  12.240  -2.306  -1.152
  646   2HD   PRO  80           HD3      PRO  80  11.482  -1.820   0.379
  647    H    ARG  81           H        ARG  81  12.802   3.107  -0.523
  648    HA   ARG  81           HA       ARG  81  14.566   3.312  -2.742
  649   1HB   ARG  81           HB2      ARG  81  12.665   4.974  -1.373
  650   2HB   ARG  81           HB3      ARG  81  14.144   5.881  -1.648
  651   1HG   ARG  81           HG2      ARG  81  14.013   5.462  -4.011
  652   2HG   ARG  81           HG3      ARG  81  12.624   4.397  -3.776
  653   1HD   ARG  81           HD2      ARG  81  11.292   6.246  -2.971
  654   2HD   ARG  81           HD3      ARG  81  12.684   7.329  -3.076
  655    HE   ARG  81           HE       ARG  81  12.049   6.094  -5.579
  656   1HH1  ARG  81          1HH1      ARG  81  11.245   8.718  -3.434
  657   2HH1  ARG  81          2HH1      ARG  81  10.618   9.727  -4.694
  658   1HH2  ARG  81          1HH2      ARG  81  11.226   7.416  -7.245
  659   2HH2  ARG  81          2HH2      ARG  81  10.606   8.986  -6.860
  660    H    LYS  82           H        LYS  82  14.812   4.189   0.676
  661    HA   LYS  82           HA       LYS  82  17.637   4.891   0.256
  662   1HB   LYS  82           HB2      LYS  82  15.865   5.563   2.611
  663   2HB   LYS  82           HB3      LYS  82  17.500   6.145   2.335
  664   1HG   LYS  82           HG2      LYS  82  16.752   7.358   0.362
  665   2HG   LYS  82           HG3      LYS  82  15.111   6.754   0.606
  666   1HD   LYS  82           HD2      LYS  82  15.032   7.887   2.784
  667   2HD   LYS  82           HD3      LYS  82  16.658   8.515   2.507
  668   1HE   LYS  82           HE2      LYS  82  14.230   9.084   0.809
  669   2HE   LYS  82           HE3      LYS  82  14.948  10.185   1.985
  670   1HZ   LYS  82           HZ1      LYS  82  16.288   9.153  -0.457
  671   2HZ   LYS  82           HZ3      LYS  82  15.654  10.710  -0.262
  672   3HZ   LYS  82           HZ2      LYS  82  16.974  10.210   0.670
  673    H    ARG  83           H        ARG  83  18.956   4.477   2.371
  674    HA   ARG  83           HA       ARG  83  18.415   1.707   3.215
  675   1HB   ARG  83           HB2      ARG  83  21.093   3.096   3.044
  676   2HB   ARG  83           HB3      ARG  83  20.812   1.402   3.420
  677   1HG   ARG  83           HG2      ARG  83  20.089   0.938   1.212
  678   2HG   ARG  83           HG3      ARG  83  20.014   2.654   0.808
  679   1HD   ARG  83           HD2      ARG  83  22.432   2.828   1.058
  680   2HD   ARG  83           HD3      ARG  83  22.519   1.119   1.488
  681    HE   ARG  83           HE       ARG  83  21.267   1.242  -0.973
  682   1HH1  ARG  83          1HH1      ARG  83  24.357   2.129   0.372
  683   2HH1  ARG  83          2HH1      ARG  83  25.216   1.891  -1.113
  684   1HH2  ARG  83          1HH2      ARG  83  22.391   0.927  -2.932
  685   2HH2  ARG  83          2HH2      ARG  83  24.099   1.208  -2.991
  686    H    GLY  84           H        GLY  84  17.975   1.416   5.303
  687   1HA   GLY  84           HA3      GLY  84  18.197   3.608   7.159
  688   2HA   GLY  84           HA2      GLY  84  19.328   2.305   7.491
  689    H    HIS  85           H        HIS  85  16.111   3.408   7.779
  690    HA   HIS  85           HA       HIS  85  15.104   0.787   8.580
  691   1HB   HIS  85           HB2      HIS  85  16.091   1.742  10.618
  692   2HB   HIS  85           HB3      HIS  85  15.100   3.184  10.423
  693    HD1  HIS  85           HD1      HIS  85  12.768   3.115  11.358
  694    HD2  HIS  85           HD2      HIS  85  14.582  -0.623  11.291
  695    HE1  HIS  85           HE1      HIS  85  11.226   1.596  12.640
  696    HE2  HIS  85           HE2      HIS  85  12.389  -0.639  12.663
  697    H    HIS  86           H        HIS  86  13.656   0.878   6.889
  698    HA   HIS  86           HA       HIS  86  11.741   3.094   6.843
  699   1HB   HIS  86           HB2      HIS  86  12.114   0.843   4.857
  700   2HB   HIS  86           HB3      HIS  86  11.089   2.261   4.653
  701    HD1  HIS  86           HD1      HIS  86  14.122   3.378   6.179
  702    HD2  HIS  86           HD2      HIS  86  12.961   2.395   2.312
  703    HE1  HIS  86           HE1      HIS  86  15.821   4.456   4.673
  704    HE2  HIS  86           HE2      HIS  86  15.032   3.942   2.337
  705    H    THR  87           H        THR  87   9.431   2.311   6.173
  706    HA   THR  87           HA       THR  87   8.628  -0.232   7.255
  707    HB   THR  87           HB       THR  87   7.730   2.269   8.694
  708    HG1  THR  87           HG1      THR  87   9.067   1.645  10.310
  709   1HG2  THR  87          3HG2      THR  87   6.007   0.523   8.537
  710   2HG2  THR  87          2HG2      THR  87   7.136  -0.642   9.232
  711   3HG2  THR  87          1HG2      THR  87   6.580   0.730  10.192
  712    H    LEU  88           H        LEU  88   6.469  -0.770   6.815
  713    HA   LEU  88           HA       LEU  88   5.110   1.050   4.938
  714   1HB   LEU  88           HB2      LEU  88   5.820  -0.939   3.803
  715   2HB   LEU  88           HB3      LEU  88   5.167  -1.959   5.067
  716    HG   LEU  88           HG       LEU  88   2.875  -1.092   4.427
  717   1HD1  LEU  88          1HD1      LEU  88   3.631   0.910   3.241
  718   2HD1  LEU  88          3HD1      LEU  88   4.371  -0.108   2.007
  719   3HD1  LEU  88          2HD1      LEU  88   2.620  -0.116   2.224
  720   1HD2  LEU  88          2HD2      LEU  88   4.485  -2.659   2.427
  721   2HD2  LEU  88          1HD2      LEU  88   3.572  -3.300   3.789
  722   3HD2  LEU  88          3HD2      LEU  88   2.727  -2.553   2.435
  723    H    GLU  89           H        GLU  89   3.924   2.106   6.546
  724    HA   GLU  89           HA       GLU  89   2.346   0.677   8.441
  725   1HB   GLU  89           HB2      GLU  89   2.353   3.566   7.581
  726   2HB   GLU  89           HB3      GLU  89   1.362   2.930   8.887
  727   1HG   GLU  89           HG2      GLU  89   3.301   2.294  10.117
  728   2HG   GLU  89           HG3      GLU  89   4.358   2.781   8.797
  729    H    LEU  90           H        LEU  90   0.945  -0.700   7.384
  730    HA   LEU  90           HA       LEU  90  -1.039   0.547   5.610
  731   1HB   LEU  90           HB2      LEU  90  -0.246  -2.331   6.006
  732   2HB   LEU  90           HB3      LEU  90  -1.690  -1.867   5.133
  733    HG   LEU  90           HG       LEU  90   1.135  -1.118   4.373
  734   1HD1  LEU  90          1HD1      LEU  90  -0.799  -3.120   3.220
  735   2HD1  LEU  90          3HD1      LEU  90   0.695  -2.607   2.437
  736   3HD1  LEU  90          2HD1      LEU  90   0.757  -3.455   3.981
  737   1HD2  LEU  90          2HD2      LEU  90  -1.489  -0.594   2.982
  738   2HD2  LEU  90          1HD2      LEU  90  -0.439   0.612   3.726
  739   3HD2  LEU  90          3HD2      LEU  90   0.109  -0.279   2.306
  740    H    VAL  91           H        VAL  91  -3.088   0.782   6.238
  741    HA   VAL  91           HA       VAL  91  -3.988  -0.627   8.659
  742    HB   VAL  91           HB       VAL  91  -3.279   1.663   9.246
  743   1HG1  VAL  91          2HG1      VAL  91  -5.378   2.466   7.235
  744   2HG1  VAL  91          1HG1      VAL  91  -4.667   3.565   8.419
  745   3HG1  VAL  91          3HG1      VAL  91  -3.649   2.819   7.188
  746   1HG2  VAL  91          2HG2      VAL  91  -6.241   1.128   9.416
  747   2HG2  VAL  91          1HG2      VAL  91  -5.001   0.662  10.583
  748   3HG2  VAL  91          3HG2      VAL  91  -5.393   2.365  10.345
  749    H    TYR  92           H        TYR  92  -6.253  -0.897   8.857
  750    HA   TYR  92           HA       TYR  92  -7.685  -0.868   6.306
  751   1HB   TYR  92           HB2      TYR  92  -7.480  -2.922   7.881
  752   2HB   TYR  92           HB3      TYR  92  -8.686  -2.100   8.863
  753    HD1  TYR  92           HD1      TYR  92 -10.430  -3.686   8.651
  754    HD2  TYR  92           HD2      TYR  92  -8.616  -2.060   5.164
  755    HE1  TYR  92           HE1      TYR  92 -12.211  -4.670   7.272
  756    HE2  TYR  92           HE2      TYR  92 -10.393  -3.038   3.776
  757    HH   TYR  92           HH       TYR  92 -13.252  -4.330   5.093
  758    H    THR  93           H        THR  93  -8.257   1.322   6.173
  759    HA   THR  93           HA       THR  93 -10.192   2.239   8.204
  760    HB   THR  93           HB       THR  93  -8.106   3.412   8.562
  761    HG1  THR  93           HG1      THR  93  -9.365   5.487   7.323
  762   1HG2  THR  93          2HG2      THR  93  -8.190   3.606   5.618
  763   2HG2  THR  93          1HG2      THR  93  -7.633   5.055   6.463
  764   3HG2  THR  93          3HG2      THR  93  -6.808   3.514   6.711
  765    H    ARG  94           H        ARG  94 -11.825   3.633   7.522
  766    HA   ARG  94           HA       ARG  94 -12.544   3.406   4.719
  767   1HB   ARG  94           HB2      ARG  94 -14.017   4.693   7.027
  768   2HB   ARG  94           HB3      ARG  94 -14.674   4.426   5.419
  769   1HG   ARG  94           HG2      ARG  94 -14.507   2.023   5.731
  770   2HG   ARG  94           HG3      ARG  94 -13.805   2.271   7.330
  771   1HD   ARG  94           HD2      ARG  94 -16.175   1.746   7.499
  772   2HD   ARG  94           HD3      ARG  94 -15.853   3.387   8.060
  773    HE   ARG  94           HE       ARG  94 -16.550   3.463   5.340
  774   1HH1  ARG  94          1HH1      ARG  94 -17.971   2.827   8.458
  775   2HH1  ARG  94          2HH1      ARG  94 -19.556   3.336   7.982
  776   1HH2  ARG  94          1HH2      ARG  94 -18.634   4.135   4.706
  777   2HH2  ARG  94          2HH2      ARG  94 -19.934   4.079   5.849
  778    HA   PRO  95           HA       PRO  95 -10.250   7.303   4.057
  779   1HB   PRO  95           HB2      PRO  95 -11.337   7.398   1.433
  780   2HB   PRO  95           HB3      PRO  95  -9.718   6.889   1.910
  781   1HG   PRO  95           HG2      PRO  95 -12.098   5.252   1.285
  782   2HG   PRO  95           HG3      PRO  95 -10.382   4.848   1.128
  783   1HD   PRO  95           HD2      PRO  95 -11.927   3.801   3.058
  784   2HD   PRO  95           HD3      PRO  95 -10.215   4.177   3.314
  785    H    PHE  96           H        PHE  96 -13.635   6.688   3.182
  786    HA   PHE  96           HA       PHE  96 -14.241   9.515   3.166
  787   1HB   PHE  96           HB2      PHE  96 -16.631   8.415   2.876
  788   2HB   PHE  96           HB3      PHE  96 -15.504   8.526   1.535
  789    HD1  PHE  96           HD1      PHE  96 -17.004   6.291   4.035
  790    HD2  PHE  96           HD2      PHE  96 -14.530   6.569   0.584
  791    HE1  PHE  96           HE1      PHE  96 -17.133   3.850   3.751
  792    HE2  PHE  96           HE2      PHE  96 -14.655   4.129   0.292
  793    HZ   PHE  96           HZ       PHE  96 -15.957   2.766   1.878
  794    H    GLU  97           H        GLU  97 -13.476   7.907   5.666
  795    HA   GLU  97           HA       GLU  97 -15.490   9.117   7.380
  796   1HB   GLU  97           HB2      GLU  97 -14.914   6.159   7.345
  797   2HB   GLU  97           HB3      GLU  97 -15.635   6.963   8.730
  798   1HG   GLU  97           HG2      GLU  97 -16.809   7.014   5.961
  799   2HG   GLU  97           HG3      GLU  97 -17.253   5.843   7.202
  800    H    GLY  98           H        GLY  98 -12.349   8.618   6.674
  801   1HA   GLY  98           HA3      GLY  98 -11.482   9.534   9.269
  802   2HA   GLY  98           HA2      GLY  98 -10.462   9.287   7.856
  803    H    ILE  99           H        ILE  99  -9.214   8.515   9.932
  804    HA   ILE  99           HA       ILE  99  -9.478   5.593   9.941
  805    HB   ILE  99           HB       ILE  99  -7.040   7.095  10.829
  806   1HG1  ILE  99          2HG1      ILE  99  -7.589   6.130   8.017
  807   2HG1  ILE  99          3HG1      ILE  99  -7.762   7.810   8.517
  808   1HG2  ILE  99          3HG2      ILE  99  -7.753   4.295  10.134
  809   2HG2  ILE  99          2HG2      ILE  99  -6.119   4.851   9.759
  810   3HG2  ILE  99          1HG2      ILE  99  -6.714   4.913  11.419
  811   1HD1  ILE  99          3HD1      ILE  99  -5.385   7.866   9.097
  812   2HD1  ILE  99          2HD1      ILE  99  -5.222   6.193   8.563
  813   3HD1  ILE  99          1HD1      ILE  99  -5.644   7.453   7.402
  814    H    LYS 100           H        LYS 100  -9.103   4.415  11.867
  815    HA   LYS 100           HA       LYS 100  -9.358   5.910  14.374
  816   1HB   LYS 100           HB2      LYS 100 -11.114   3.605  13.529
  817   2HB   LYS 100           HB3      LYS 100 -11.106   4.324  15.122
  818   1HG   LYS 100           HG2      LYS 100 -11.930   6.401  14.272
  819   2HG   LYS 100           HG3      LYS 100 -11.743   5.845  12.607
  820   1HD   LYS 100           HD2      LYS 100 -13.494   4.334  14.504
  821   2HD   LYS 100           HD3      LYS 100 -14.093   5.802  13.728
  822   1HE   LYS 100           HE2      LYS 100 -13.687   4.861  11.540
  823   2HE   LYS 100           HE3      LYS 100 -12.955   3.426  12.261
  824   1HZ   LYS 100           HZ1      LYS 100 -15.087   2.890  13.266
  825   2HZ   LYS 100           HZ3      LYS 100 -15.787   4.266  12.574
  826   3HZ   LYS 100           HZ2      LYS 100 -15.234   3.010  11.586
  827    HA   PRO 101           HA       PRO 101  -6.497   3.002  16.025
  828   1HB   PRO 101           HB2      PRO 101  -7.406   2.592  18.547
  829   2HB   PRO 101           HB3      PRO 101  -6.657   4.108  18.033
  830   1HG   PRO 101           HG2      PRO 101  -9.558   3.432  18.330
  831   2HG   PRO 101           HG3      PRO 101  -8.699   4.910  18.799
  832   1HD   PRO 101           HD2      PRO 101 -10.177   4.725  16.533
  833   2HD   PRO 101           HD3      PRO 101  -8.746   5.768  16.670
  834    H    GLU 102           H        GLU 102  -9.883   2.132  16.608
  835    HA   GLU 102           HA       GLU 102  -9.461  -0.583  17.178
  836   1HB   GLU 102           HB2      GLU 102 -11.869  -0.848  16.548
  837   2HB   GLU 102           HB3      GLU 102 -11.554   0.398  17.751
  838   1HG   GLU 102           HG2      GLU 102 -11.659   2.096  16.013
  839   2HG   GLU 102           HG3      GLU 102 -11.992   0.849  14.818
  840    H    ASN 103           H        ASN 103  -9.488   1.173  14.216
  841    HA   ASN 103           HA       ASN 103 -10.152  -0.774  12.359
  842   1HB   ASN 103           HB2      ASN 103  -8.235   1.546  12.222
  843   2HB   ASN 103           HB3      ASN 103  -8.560   0.520  10.829
  844   1HD2  ASN 103          1HD2      ASN 103 -11.046   1.145  13.154
  845   2HD2  ASN 103          2HD2      ASN 103 -11.988   2.204  12.167
  846    H    GLU 104           H        GLU 104  -8.978  -2.261  11.141
  847    HA   GLU 104           HA       GLU 104  -7.116  -3.829  12.467
  848   1HB   GLU 104           HB2      GLU 104  -8.595  -4.110  10.224
  849   2HB   GLU 104           HB3      GLU 104  -7.012  -3.846   9.510
  850   1HG   GLU 104           HG2      GLU 104  -6.121  -5.759  10.457
  851   2HG   GLU 104           HG3      GLU 104  -7.395  -5.873  11.670
  852    H    ARG 105           H        ARG 105  -4.883  -4.333  11.744
  853    HA   ARG 105           HA       ARG 105  -3.439  -1.957  10.779
  854   1HB   ARG 105           HB2      ARG 105  -3.341  -2.145  13.280
  855   2HB   ARG 105           HB3      ARG 105  -2.544  -3.695  13.083
  856   1HG   ARG 105           HG2      ARG 105  -0.736  -2.334  13.407
  857   2HG   ARG 105           HG3      ARG 105  -0.857  -2.303  11.646
  858   1HD   ARG 105           HD2      ARG 105  -0.554  -0.058  12.456
  859   2HD   ARG 105           HD3      ARG 105  -2.186  -0.230  11.805
  860    HE   ARG 105           HE       ARG 105  -2.283  -0.777  14.537
  861   1HH1  ARG 105          1HH1      ARG 105  -1.649   1.913  12.414
  862   2HH1  ARG 105          2HH1      ARG 105  -2.209   3.103  13.542
  863   1HH2  ARG 105          1HH2      ARG 105  -3.024   0.784  16.028
  864   2HH2  ARG 105          2HH2      ARG 105  -2.990   2.461  15.595
  865    H    TYR 106           H        TYR 106  -1.248  -2.440  10.040
  866    HA   TYR 106           HA       TYR 106  -0.240  -5.040   9.709
  867   1HB   TYR 106           HB2      TYR 106  -2.114  -5.217   8.101
  868   2HB   TYR 106           HB3      TYR 106  -1.442  -3.860   7.196
  869    HD1  TYR 106           HD1      TYR 106  -0.946  -7.363   8.187
  870    HD2  TYR 106           HD2      TYR 106   0.424  -4.183   5.721
  871    HE1  TYR 106           HE1      TYR 106   0.419  -8.951   6.913
  872    HE2  TYR 106           HE2      TYR 106   1.797  -5.765   4.436
  873    HH   TYR 106           HH       TYR 106   2.837  -7.976   4.743
  874    H    THR 107           H        THR 107   1.356  -3.628  10.676
  875    HA   THR 107           HA       THR 107   2.628  -1.721   8.864
  876    HB   THR 107           HB       THR 107   3.473  -2.312  11.694
  877    HG1  THR 107           HG1      THR 107   1.640  -0.273  10.950
  878   1HG2  THR 107          3HG2      THR 107   5.001  -0.974  10.332
  879   2HG2  THR 107          2HG2      THR 107   3.693   0.147   9.957
  880   3HG2  THR 107          1HG2      THR 107   4.280  -0.002  11.613
  881    H    LEU 108           H        LEU 108   3.975  -2.652   7.455
  882    HA   LEU 108           HA       LEU 108   5.604  -4.924   8.278
  883   1HB   LEU 108           HB2      LEU 108   4.487  -5.127   6.151
  884   2HB   LEU 108           HB3      LEU 108   5.170  -3.617   5.597
  885    HG   LEU 108           HG       LEU 108   7.381  -4.582   5.492
  886   1HD1  LEU 108          2HD1      LEU 108   6.115  -7.084   6.599
  887   2HD1  LEU 108          1HD1      LEU 108   7.771  -6.945   6.008
  888   3HD1  LEU 108          3HD1      LEU 108   7.264  -6.035   7.430
  889   1HD2  LEU 108          1HD2      LEU 108   5.335  -6.402   4.240
  890   2HD2  LEU 108          3HD2      LEU 108   5.947  -4.896   3.556
  891   3HD2  LEU 108          2HD2      LEU 108   7.029  -6.272   3.768
  892    H    HIS 109           H        HIS 109   7.131  -4.008   9.622
  893    HA   HIS 109           HA       HIS 109   8.663  -1.718   8.842
  894   1HB   HIS 109           HB2      HIS 109   8.749  -3.627  11.126
  895   2HB   HIS 109           HB3      HIS 109  10.131  -2.596  10.821
  896    HD1  HIS 109           HD1      HIS 109   9.969  -0.217  11.631
  897    HD2  HIS 109           HD2      HIS 109   6.324  -2.216  11.747
  898    HE1  HIS 109           HE1      HIS 109   8.401   1.317  12.863
  899    HE2  HIS 109           HE2      HIS 109   6.181   0.126  12.843
  900    H    LEU 110           H        LEU 110  10.895  -1.679   8.364
  901    HA   LEU 110           HA       LEU 110  12.172  -4.146   7.529
  902   1HB   LEU 110           HB2      LEU 110  11.587  -1.888   5.614
  903   2HB   LEU 110           HB3      LEU 110  12.671  -3.220   5.266
  904    HG   LEU 110           HG       LEU 110   9.709  -3.497   5.821
  905   1HD1  LEU 110          2HD1      LEU 110  11.221  -3.601   3.216
  906   2HD1  LEU 110          1HD1      LEU 110   9.508  -3.962   3.428
  907   3HD1  LEU 110          3HD1      LEU 110  10.110  -2.329   3.725
  908   1HD2  LEU 110          2HD2      LEU 110  11.160  -5.453   6.412
  909   2HD2  LEU 110          1HD2      LEU 110   9.942  -5.775   5.177
  910   3HD2  LEU 110          3HD2      LEU 110  11.625  -5.536   4.713
  911    H    ASN 111           H        ASN 111  14.150  -4.035   8.365
  912    HA   ASN 111           HA       ASN 111  15.390  -1.464   8.891
  913   1HB   ASN 111           HB2      ASN 111  15.513  -3.253  10.590
  914   2HB   ASN 111           HB3      ASN 111  16.388  -4.270   9.450
  915   1HD2  ASN 111          1HD2      ASN 111  18.176  -4.423  10.780
  916   2HD2  ASN 111          2HD2      ASN 111  19.261  -3.102  11.031
  917    H    VAL 112           H        VAL 112  15.348  -1.131   6.500
  918    HA   VAL 112           HA       VAL 112  16.769  -2.524   4.616
  919    HB   VAL 112           HB       VAL 112  16.903   0.466   4.580
  920   1HG1  VAL 112          1HG1      VAL 112  17.814  -0.902   2.728
  921   2HG1  VAL 112          3HG1      VAL 112  16.195  -1.550   2.461
  922   3HG1  VAL 112          2HG1      VAL 112  16.506   0.170   2.225
  923   1HG2  VAL 112          3HG2      VAL 112  14.405  -1.191   4.315
  924   2HG2  VAL 112          2HG2      VAL 112  14.699   0.160   5.408
  925   3HG2  VAL 112          1HG2      VAL 112  14.555   0.444   3.675
  926    H    LYS 113           H        LYS 113  18.831  -3.105   4.472
  927    HA   LYS 113           HA       LYS 113  20.836  -2.139   6.212
  928   1HB   LYS 113           HB2      LYS 113  20.997  -3.808   3.701
  929   2HB   LYS 113           HB3      LYS 113  22.361  -3.494   4.759
  930   1HG   LYS 113           HG2      LYS 113  19.915  -4.625   5.985
  931   2HG   LYS 113           HG3      LYS 113  20.889  -5.681   4.961
  932   1HD   LYS 113           HD2      LYS 113  21.692  -5.984   7.164
  933   2HD   LYS 113           HD3      LYS 113  22.884  -4.973   6.344
  934   1HE   LYS 113           HE2      LYS 113  22.417  -4.170   8.609
  935   2HE   LYS 113           HE3      LYS 113  21.951  -2.987   7.387
  936   1HZ   LYS 113           HZ2      LYS 113  20.103  -4.844   8.785
  937   2HZ   LYS 113           HZ1      LYS 113  20.269  -3.192   9.105
  938   3HZ   LYS 113           HZ3      LYS 113  19.657  -3.709   7.614

  No H/Q in entry =         938
  Start of MODEL   38
    1    H1   GLY  -2           HT2      GLY  -2 -10.708   3.380  23.323
    2    H2   GLY  -2           HT1      GLY  -2 -12.240   2.778  22.936
    3    H3   GLY  -2           HT3      GLY  -2 -11.672   2.687  24.528
    4   1HA   GLY  -2           HA2      GLY  -2 -10.535   1.250  22.192
    5   2HA   GLY  -2           HA3      GLY  -2 -11.536   0.531  23.444
    6    H    SER  -1           H        SER  -1  -9.497  -0.868  23.414
    7    HA   SER  -1           HA       SER  -1  -7.294   0.296  24.933
    8   1HB   SER  -1           HB2      SER  -1  -7.380  -1.501  26.625
    9   2HB   SER  -1           HB3      SER  -1  -8.840  -0.511  26.655
   10    HG   SER  -1           HG       SER  -1  -9.324  -2.440  24.959
   11    H    HIS   0           H        HIS   0  -5.515  -1.375  25.248
   12    HA   HIS   0           HA       HIS   0  -5.159  -2.774  22.711
   13   1HB   HIS   0           HB2      HIS   0  -3.179  -2.165  24.917
   14   2HB   HIS   0           HB3      HIS   0  -2.785  -2.920  23.376
   15    HD1  HIS   0           HD1      HIS   0  -3.221   0.340  24.986
   16    HD2  HIS   0           HD2      HIS   0  -3.106  -1.149  21.108
   17    HE1  HIS   0           HE1      HIS   0  -2.865   2.342  23.507
   18    HE2  HIS   0           HE2      HIS   0  -2.885   1.427  21.159
   19    H    MET   1           H        MET   1  -6.331  -3.504  25.685
   20    HA   MET   1           HA       MET   1  -6.714  -5.421  26.843
   21   1HB   MET   1           HB2      MET   1  -5.963  -6.716  24.215
   22   2HB   MET   1           HB3      MET   1  -6.767  -7.525  25.553
   23   1HG   MET   1           HG2      MET   1  -7.865  -5.221  23.957
   24   2HG   MET   1           HG3      MET   1  -8.343  -6.912  23.813
   25   1HE   MET   1           HE3      MET   1  -8.342  -7.843  26.859
   26   2HE   MET   1           HE2      MET   1 -10.030  -7.572  27.288
   27   3HE   MET   1           HE1      MET   1  -9.619  -8.259  25.717
   28    H    ILE   2           H        ILE   2  -5.584  -7.858  27.021
   29    HA   ILE   2           HA       ILE   2  -3.072  -7.278  28.258
   30    HB   ILE   2           HB       ILE   2  -2.997  -9.704  28.756
   31   1HG1  ILE   2          2HG1      ILE   2  -5.649  -9.797  27.300
   32   2HG1  ILE   2          3HG1      ILE   2  -4.139 -10.449  26.672
   33   1HG2  ILE   2          3HG2      ILE   2  -4.131  -8.160  30.262
   34   2HG2  ILE   2          2HG2      ILE   2  -5.632  -8.367  29.358
   35   3HG2  ILE   2          1HG2      ILE   2  -4.940  -9.727  30.240
   36   1HD1  ILE   2          3HD1      ILE   2  -4.044 -12.019  28.538
   37   2HD1  ILE   2          2HD1      ILE   2  -5.565 -11.372  29.154
   38   3HD1  ILE   2          1HD1      ILE   2  -5.526 -12.202  27.599
   39    H    ALA   3           H        ALA   3  -4.086  -8.736  25.241
   40    HA   ALA   3           HA       ALA   3  -1.492  -8.415  24.099
   41   1HB   ALA   3           HB1      ALA   3  -2.435 -11.245  24.555
   42   2HB   ALA   3           HB2      ALA   3  -1.083 -10.464  25.376
   43   3HB   ALA   3           HB3      ALA   3  -1.008 -10.759  23.639
   44    HA   PRO   4           HA       PRO   4  -4.005  -8.281  20.467
   45   1HB   PRO   4           HB2      PRO   4  -2.180  -8.826  18.538
   46   2HB   PRO   4           HB3      PRO   4  -2.217  -7.290  19.412
   47   1HG   PRO   4           HG2      PRO   4  -0.471  -9.683  19.857
   48   2HG   PRO   4           HG3      PRO   4  -0.033  -7.965  19.854
   49   1HD   PRO   4           HD2      PRO   4  -0.422  -9.368  22.139
   50   2HD   PRO   4           HD3      PRO   4  -0.793  -7.638  22.005
   51    H    LEU   5           H        LEU   5  -5.068  -9.579  18.958
   52    HA   LEU   5           HA       LEU   5  -5.188 -12.352  19.583
   53   1HB   LEU   5           HB2      LEU   5  -6.403 -10.835  17.272
   54   2HB   LEU   5           HB3      LEU   5  -6.822 -12.471  17.742
   55    HG   LEU   5           HG       LEU   5  -7.218 -10.043  19.494
   56   1HD1  LEU   5          2HD1      LEU   5  -8.634  -9.926  17.513
   57   2HD1  LEU   5          1HD1      LEU   5  -9.216 -11.562  17.825
   58   3HD1  LEU   5          3HD1      LEU   5  -9.588 -10.261  18.958
   59   1HD2  LEU   5          2HD2      LEU   5  -6.941 -12.119  20.738
   60   2HD2  LEU   5          1HD2      LEU   5  -8.605 -11.543  20.832
   61   3HD2  LEU   5          3HD2      LEU   5  -8.194 -12.882  19.760
   62    H    SER   6           H        SER   6  -4.922 -14.108  18.030
   63    HA   SER   6           HA       SER   6  -2.538 -13.676  16.377
   64   1HB   SER   6           HB2      SER   6  -3.763 -16.247  17.410
   65   2HB   SER   6           HB3      SER   6  -2.277 -16.133  16.467
   66    HG   SER   6           HG       SER   6  -2.234 -14.481  18.619
   67    H    VAL   7           H        VAL   7  -5.763 -13.650  15.967
   68    HA   VAL   7           HA       VAL   7  -5.869 -15.216  13.519
   69    HB   VAL   7           HB       VAL   7  -8.237 -14.594  13.437
   70   1HG1  VAL   7          1HG1      VAL   7  -7.579 -16.543  14.742
   71   2HG1  VAL   7          3HG1      VAL   7  -7.355 -15.527  16.167
   72   3HG1  VAL   7          2HG1      VAL   7  -8.964 -15.735  15.476
   73   1HG2  VAL   7          1HG2      VAL   7  -7.634 -12.979  15.913
   74   2HG2  VAL   7          3HG2      VAL   7  -8.089 -12.342  14.333
   75   3HG2  VAL   7          2HG2      VAL   7  -9.244 -13.295  15.264
   76    H    LYS   8           H        LYS   8  -4.414 -12.504  14.045
   77    HA   LYS   8           HA       LYS   8  -5.382 -11.212  11.592
   78   1HB   LYS   8           HB2      LYS   8  -4.369  -9.087  12.731
   79   2HB   LYS   8           HB3      LYS   8  -5.992  -9.619  13.144
   80   1HG   LYS   8           HG2      LYS   8  -4.975 -10.843  15.095
   81   2HG   LYS   8           HG3      LYS   8  -3.465 -10.006  14.727
   82   1HD   LYS   8           HD2      LYS   8  -6.074  -8.590  15.245
   83   2HD   LYS   8           HD3      LYS   8  -4.877  -8.923  16.498
   84   1HE   LYS   8           HE2      LYS   8  -4.380  -7.323  13.991
   85   2HE   LYS   8           HE3      LYS   8  -4.684  -6.643  15.588
   86   1HZ   LYS   8           HZ3      LYS   8  -2.392  -8.386  14.859
   87   2HZ   LYS   8           HZ2      LYS   8  -2.324  -6.712  15.094
   88   3HZ   LYS   8           HZ1      LYS   8  -2.683  -7.734  16.393
   89    H    ASP   9           H        ASP   9  -2.598 -11.114  13.743
   90    HA   ASP   9           HA       ASP   9  -0.360 -10.962  13.357
   91   1HB   ASP   9           HB2      ASP   9  -0.497 -13.255  12.851
   92   2HB   ASP   9           HB3      ASP   9  -1.239 -12.956  11.284
   93    H    ASN  10           H        ASN  10   0.092  -8.925  12.789
   94    HA   ASN  10           HA       ASN  10   0.218  -8.325   9.921
   95   1HB   ASN  10           HB2      ASN  10  -0.141  -5.872  10.996
   96   2HB   ASN  10           HB3      ASN  10  -1.446  -6.872  10.367
   97   1HD2  ASN  10          1HD2      ASN  10   0.048  -5.531  13.161
   98   2HD2  ASN  10          2HD2      ASN  10  -1.153  -6.015  14.304
   99    H    ASP  11           H        ASP  11   1.128  -6.577  12.824
  100    HA   ASP  11           HA       ASP  11   3.318  -5.274  12.065
  101   1HB   ASP  11           HB2      ASP  11   4.146  -5.549  14.416
  102   2HB   ASP  11           HB3      ASP  11   2.484  -5.010  14.276
  103    H    LYS  12           H        LYS  12   4.657  -6.166  10.608
  104    HA   LYS  12           HA       LYS  12   6.132  -8.589  11.355
  105   1HB   LYS  12           HB2      LYS  12   5.018  -8.823   9.243
  106   2HB   LYS  12           HB3      LYS  12   5.623  -7.269   8.687
  107   1HG   LYS  12           HG2      LYS  12   6.869  -8.964   7.598
  108   2HG   LYS  12           HG3      LYS  12   7.918  -8.206   8.797
  109   1HD   LYS  12           HD2      LYS  12   7.679 -10.043  10.290
  110   2HD   LYS  12           HD3      LYS  12   6.386 -10.745   9.314
  111   1HE   LYS  12           HE2      LYS  12   7.927 -11.205   7.520
  112   2HE   LYS  12           HE3      LYS  12   9.225 -10.377   8.378
  113   1HZ   LYS  12           HZ1      LYS  12   7.855 -12.849   9.292
  114   2HZ   LYS  12           HZ3      LYS  12   9.398 -12.777   8.602
  115   3HZ   LYS  12           HZ2      LYS  12   9.111 -12.060  10.106
  116    H    TRP  13           H        TRP  13   7.705  -7.719  12.666
  117    HA   TRP  13           HA       TRP  13   9.291  -5.470  11.777
  118   1HB   TRP  13           HB2      TRP  13   9.850  -7.077  14.243
  119   2HB   TRP  13           HB3      TRP  13  10.067  -5.356  13.961
  120    HD1  TRP  13           HD1      TRP  13   7.246  -7.903  14.605
  121    HE1  TRP  13           HE1      TRP  13   5.241  -6.660  15.627
  122    HE3  TRP  13           HE3      TRP  13   9.030  -3.117  14.338
  123    HZ2  TRP  13           HZ2      TRP  13   4.493  -4.003  16.225
  124    HZ3  TRP  13           HZ3      TRP  13   7.611  -1.285  15.165
  125    HH2  TRP  13           HH2      TRP  13   5.395  -1.720  16.094
  126    H    VAL  14           H        VAL  14  10.754  -5.938  10.210
  127    HA   VAL  14           HA       VAL  14  12.815  -7.904  10.869
  128    HB   VAL  14           HB       VAL  14  12.683  -8.914   8.560
  129   1HG1  VAL  14          2HG1      VAL  14  11.966 -10.054  10.647
  130   2HG1  VAL  14          1HG1      VAL  14  10.323  -9.491  10.341
  131   3HG1  VAL  14          3HG1      VAL  14  11.105 -10.596   9.208
  132   1HG2  VAL  14          2HG2      VAL  14  11.223  -7.228   7.557
  133   2HG2  VAL  14          1HG2      VAL  14  10.542  -8.847   7.406
  134   3HG2  VAL  14          3HG2      VAL  14   9.910  -7.736   8.620
  135    H    ASP  15           H        ASP  15  14.275  -8.063   8.736
  136    HA   ASP  15           HA       ASP  15  15.118  -5.306   8.215
  137   1HB   ASP  15           HB2      ASP  15  16.461  -7.949   8.394
  138   2HB   ASP  15           HB3      ASP  15  17.162  -6.766   7.290
  139    H    THR  16           H        THR  16  16.478  -5.389   5.919
  140    HA   THR  16           HA       THR  16  15.331  -6.899   3.828
  141    HB   THR  16           HB       THR  16  13.458  -5.219   4.588
  142    HG1  THR  16           HG1      THR  16  13.520  -6.633   2.675
  143   1HG2  THR  16          1HG2      THR  16  14.906  -3.221   4.410
  144   2HG2  THR  16          3HG2      THR  16  15.039  -3.507   2.675
  145   3HG2  THR  16          2HG2      THR  16  13.473  -3.123   3.386
  146    H    HIS  17           H        HIS  17  15.618  -5.568   1.630
  147    HA   HIS  17           HA       HIS  17  18.311  -4.376   1.724
  148   1HB   HIS  17           HB2      HIS  17  17.011  -6.284  -0.168
  149   2HB   HIS  17           HB3      HIS  17  18.195  -5.156  -0.817
  150    HD1  HIS  17           HD1      HIS  17  17.877  -8.319   1.002
  151    HD2  HIS  17           HD2      HIS  17  20.830  -5.467   0.358
  152    HE1  HIS  17           HE1      HIS  17  20.039  -9.431   1.648
  153    HE2  HIS  17           HE2      HIS  17  21.820  -7.715   1.168
  154    H    VAL  18           H        VAL  18  18.405  -3.355  -0.869
  155    HA   VAL  18           HA       VAL  18  16.557  -1.111  -0.569
  156    HB   VAL  18           HB       VAL  18  18.926  -0.571  -0.823
  157   1HG1  VAL  18          3HG1      VAL  18  19.616  -2.475  -2.173
  158   2HG1  VAL  18          2HG1      VAL  18  18.687  -1.860  -3.539
  159   3HG1  VAL  18          1HG1      VAL  18  20.083  -0.960  -2.945
  160   1HG2  VAL  18          3HG2      VAL  18  17.258   1.023  -1.619
  161   2HG2  VAL  18          2HG2      VAL  18  18.715   1.083  -2.612
  162   3HG2  VAL  18          1HG2      VAL  18  17.276   0.258  -3.209
  163    H    GLY  19           H        GLY  19  14.999  -0.582  -1.940
  164   1HA   GLY  19           HA3      GLY  19  14.787  -1.198  -4.648
  165   2HA   GLY  19           HA2      GLY  19  13.451  -0.762  -3.603
  166    H    LYS  20           H        LYS  20  14.355  -3.308  -1.995
  167    HA   LYS  20           HA       LYS  20  13.754  -5.500  -3.673
  168   1HB   LYS  20           HB2      LYS  20  14.656  -5.211  -1.093
  169   2HB   LYS  20           HB3      LYS  20  13.036  -5.828  -0.847
  170   1HG   LYS  20           HG2      LYS  20  14.301  -7.748  -0.935
  171   2HG   LYS  20           HG3      LYS  20  13.693  -7.612  -2.589
  172   1HD   LYS  20           HD2      LYS  20  15.743  -6.806  -3.390
  173   2HD   LYS  20           HD3      LYS  20  16.305  -6.422  -1.768
  174   1HE   LYS  20           HE2      LYS  20  17.430  -8.408  -2.642
  175   2HE   LYS  20           HE3      LYS  20  16.436  -8.805  -1.240
  176   1HZ   LYS  20           HZ2      LYS  20  14.717  -9.614  -2.736
  177   2HZ   LYS  20           HZ1      LYS  20  15.675  -9.237  -4.079
  178   3HZ   LYS  20           HZ3      LYS  20  16.171 -10.438  -2.993
  179    H    THR  21           H        THR  21  11.941  -4.729  -4.833
  180    HA   THR  21           HA       THR  21   9.554  -3.782  -3.912
  181    HB   THR  21           HB       THR  21   9.671  -5.818  -6.128
  182    HG1  THR  21           HG1      THR  21  11.056  -4.512  -7.052
  183   1HG2  THR  21          3HG2      THR  21   7.457  -4.976  -5.478
  184   2HG2  THR  21          2HG2      THR  21   8.016  -3.322  -5.723
  185   3HG2  THR  21          1HG2      THR  21   7.907  -4.429  -7.093
  186    H    THR  22           H        THR  22   8.630  -4.583  -2.117
  187    HA   THR  22           HA       THR  22   8.165  -7.460  -1.903
  188    HB   THR  22           HB       THR  22   7.730  -5.224   0.089
  189    HG1  THR  22           HG1      THR  22   9.910  -5.793  -0.186
  190   1HG2  THR  22          3HG2      THR  22   6.061  -6.988   0.417
  191   2HG2  THR  22          2HG2      THR  22   7.344  -8.197   0.454
  192   3HG2  THR  22          1HG2      THR  22   7.243  -6.980   1.726
  193    H    GLU  23           H        GLU  23   6.540  -7.952  -3.239
  194    HA   GLU  23           HA       GLU  23   4.168  -6.378  -3.478
  195   1HB   GLU  23           HB2      GLU  23   5.125  -7.685  -5.340
  196   2HB   GLU  23           HB3      GLU  23   4.798  -9.166  -4.451
  197   1HG   GLU  23           HG2      GLU  23   2.452  -8.843  -4.609
  198   2HG   GLU  23           HG3      GLU  23   2.671  -7.208  -5.231
  199    H    ILE  24           H        ILE  24   2.294  -6.607  -2.435
  200    HA   ILE  24           HA       ILE  24   1.849  -9.027  -0.843
  201    HB   ILE  24           HB       ILE  24   1.394  -6.240   0.189
  202   1HG1  ILE  24          2HG1      ILE  24   3.530  -8.258   0.889
  203   2HG1  ILE  24          3HG1      ILE  24   3.783  -6.731   0.055
  204   1HG2  ILE  24          1HG2      ILE  24  -0.193  -7.899   1.030
  205   2HG2  ILE  24          3HG2      ILE  24   1.149  -8.919   1.551
  206   3HG2  ILE  24          2HG2      ILE  24   0.892  -7.346   2.307
  207   1HD1  ILE  24          3HD1      ILE  24   3.043  -5.534   2.064
  208   2HD1  ILE  24          2HD1      ILE  24   2.871  -7.078   2.898
  209   3HD1  ILE  24          1HD1      ILE  24   4.460  -6.541   2.352
  210    H    HIS  25           H        HIS  25   0.151  -9.846  -1.890
  211    HA   HIS  25           HA       HIS  25  -2.037  -8.164  -2.768
  212   1HB   HIS  25           HB2      HIS  25  -2.110 -11.162  -2.752
  213   2HB   HIS  25           HB3      HIS  25  -2.878 -10.047  -3.870
  214    HD1  HIS  25           HD1      HIS  25  -0.242 -12.380  -3.793
  215    HD2  HIS  25           HD2      HIS  25  -0.682  -8.577  -5.406
  216    HE1  HIS  25           HE1      HIS  25   1.522 -12.198  -5.575
  217    HE2  HIS  25           HE2      HIS  25   1.141  -9.942  -6.629
  218    H    LEU  26           H        LEU  26  -3.130  -7.381  -1.037
  219    HA   LEU  26           HA       LEU  26  -3.834  -9.184   1.152
  220   1HB   LEU  26           HB2      LEU  26  -4.309  -6.227   0.862
  221   2HB   LEU  26           HB3      LEU  26  -4.596  -7.171   2.307
  222    HG   LEU  26           HG       LEU  26  -1.854  -6.915   1.087
  223   1HD1  LEU  26          3HD1      LEU  26  -3.108  -5.168   3.202
  224   2HD1  LEU  26          2HD1      LEU  26  -1.412  -5.146   2.717
  225   3HD1  LEU  26          1HD1      LEU  26  -2.663  -4.669   1.569
  226   1HD2  LEU  26          1HD2      LEU  26  -2.319  -8.751   2.709
  227   2HD2  LEU  26          3HD2      LEU  26  -1.087  -7.607   3.246
  228   3HD2  LEU  26          2HD2      LEU  26  -2.718  -7.521   3.911
  229    H    LYS  27           H        LYS  27  -5.942  -9.629   1.735
  230    HA   LYS  27           HA       LYS  27  -7.898  -9.211  -0.400
  231   1HB   LYS  27           HB2      LYS  27  -8.280 -11.021   1.967
  232   2HB   LYS  27           HB3      LYS  27  -9.062 -11.093   0.397
  233   1HG   LYS  27           HG2      LYS  27  -7.584 -12.833   0.240
  234   2HG   LYS  27           HG3      LYS  27  -6.646 -11.525  -0.482
  235   1HD   LYS  27           HD2      LYS  27  -5.487 -11.173   1.632
  236   2HD   LYS  27           HD3      LYS  27  -6.453 -12.442   2.387
  237   1HE   LYS  27           HE2      LYS  27  -5.512 -14.080   0.833
  238   2HE   LYS  27           HE3      LYS  27  -4.548 -12.811   0.078
  239   1HZ   LYS  27           HZ1      LYS  27  -4.330 -13.692   2.907
  240   2HZ   LYS  27           HZ3      LYS  27  -3.250 -14.086   1.665
  241   3HZ   LYS  27           HZ2      LYS  27  -3.401 -12.481   2.177
  242    H    GLY  28           H        GLY  28 -10.159  -8.825   0.260
  243   1HA   GLY  28           HA3      GLY  28 -10.314  -6.487   1.855
  244   2HA   GLY  28           HA2      GLY  28 -10.950  -7.861   2.742
  245    H    ASN  29           H        ASN  29 -12.185  -5.373   1.530
  246    HA   ASN  29           HA       ASN  29 -13.831  -6.152  -0.629
  247   1HB   ASN  29           HB2      ASN  29 -14.747  -7.631   1.194
  248   2HB   ASN  29           HB3      ASN  29 -15.243  -6.168   2.045
  249   1HD2  ASN  29          1HD2      ASN  29 -17.405  -6.898   1.905
  250   2HD2  ASN  29          2HD2      ASN  29 -18.305  -6.736   0.440
  251    HA   PRO  30           HA       PRO  30 -13.599  -1.615  -0.167
  252   1HB   PRO  30           HB2      PRO  30 -14.859  -1.860  -2.848
  253   2HB   PRO  30           HB3      PRO  30 -13.473  -0.890  -2.341
  254   1HG   PRO  30           HG2      PRO  30 -13.131  -3.100  -3.783
  255   2HG   PRO  30           HG3      PRO  30 -12.007  -2.685  -2.477
  256   1HD   PRO  30           HD2      PRO  30 -14.206  -4.706  -2.515
  257   2HD   PRO  30           HD3      PRO  30 -12.597  -4.804  -1.774
  258    H    THR  31           H        THR  31 -16.342  -3.505  -1.378
  259    HA   THR  31           HA       THR  31 -18.302  -1.500  -1.047
  260    HB   THR  31           HB       THR  31 -19.947  -3.325  -1.183
  261    HG1  THR  31           HG1      THR  31 -18.896  -5.488  -1.568
  262   1HG2  THR  31          1HG2      THR  31 -18.970  -2.454  -3.248
  263   2HG2  THR  31          3HG2      THR  31 -17.656  -3.625  -3.129
  264   3HG2  THR  31          2HG2      THR  31 -19.311  -4.178  -3.393
  265    H    THR  32           H        THR  32 -16.716  -3.576   1.193
  266    HA   THR  32           HA       THR  32 -18.682  -3.720   3.206
  267    HB   THR  32           HB       THR  32 -15.672  -3.870   3.374
  268    HG1  THR  32           HG1      THR  32 -17.738  -5.648   2.885
  269   1HG2  THR  32          3HG2      THR  32 -17.724  -4.438   5.513
  270   2HG2  THR  32          2HG2      THR  32 -16.017  -4.875   5.604
  271   3HG2  THR  32          1HG2      THR  32 -16.492  -3.176   5.545
  272    H    GLY  33           H        GLY  33 -15.948  -1.466   2.778
  273   1HA   GLY  33           HA3      GLY  33 -16.944   0.173   4.974
  274   2HA   GLY  33           HA2      GLY  33 -17.028   0.890   3.373
  275    H    TYR  34           H        TYR  34 -14.719  -0.712   5.560
  276    HA   TYR  34           HA       TYR  34 -12.876   1.406   5.484
  277   1HB   TYR  34           HB2      TYR  34 -12.485  -1.489   6.249
  278   2HB   TYR  34           HB3      TYR  34 -11.292  -0.225   6.522
  279    HD1  TYR  34           HD1      TYR  34 -14.771  -1.231   7.357
  280    HD2  TYR  34           HD2      TYR  34 -11.380   1.094   8.471
  281    HE1  TYR  34           HE1      TYR  34 -15.840  -0.711   9.510
  282    HE2  TYR  34           HE2      TYR  34 -12.443   1.617  10.623
  283    HH   TYR  34           HH       TYR  34 -14.700   1.714  11.590
  284    H    MET  35           H        MET  35 -10.438   0.720   4.961
  285    HA   MET  35           HA       MET  35 -10.214  -0.546   2.360
  286   1HB   MET  35           HB2      MET  35 -10.425   1.556   1.458
  287   2HB   MET  35           HB3      MET  35  -9.905   2.352   2.937
  288   1HG   MET  35           HG2      MET  35  -7.585   1.628   2.449
  289   2HG   MET  35           HG3      MET  35  -8.159   0.990   0.926
  290   1HE   MET  35           HE3      MET  35 -10.334   3.109   0.084
  291   2HE   MET  35           HE2      MET  35  -9.414   4.267  -0.875
  292   3HE   MET  35           HE1      MET  35  -9.138   2.538  -1.078
  293    H    TRP  36           H        TRP  36  -8.057  -1.117   1.850
  294    HA   TRP  36           HA       TRP  36  -6.279  -1.161   4.186
  295   1HB   TRP  36           HB2      TRP  36  -6.873  -3.069   2.032
  296   2HB   TRP  36           HB3      TRP  36  -5.170  -2.896   2.412
  297    HD1  TRP  36           HD1      TRP  36  -8.035  -4.905   3.375
  298    HE1  TRP  36           HE1      TRP  36  -7.686  -6.008   5.677
  299    HE3  TRP  36           HE3      TRP  36  -4.053  -2.152   4.995
  300    HZ2  TRP  36           HZ2      TRP  36  -5.953  -5.740   7.883
  301    HZ3  TRP  36           HZ3      TRP  36  -3.109  -2.637   7.209
  302    HH2  TRP  36           HH2      TRP  36  -4.043  -4.392   8.624
  303    H    THR  37           H        THR  37  -5.216   0.761   3.990
  304    HA   THR  37           HA       THR  37  -3.406   0.984   1.693
  305    HB   THR  37           HB       THR  37  -5.326   2.399   1.145
  306    HG1  THR  37           HG1      THR  37  -3.555   3.362   0.355
  307   1HG2  THR  37          3HG2      THR  37  -6.067   2.814   3.458
  308   2HG2  THR  37          2HG2      THR  37  -4.675   3.867   3.703
  309   3HG2  THR  37          1HG2      THR  37  -5.918   4.306   2.530
  310    H    ARG  38           H        ARG  38  -2.104   3.357   2.345
  311    HA   ARG  38           HA       ARG  38  -0.721   2.550   4.764
  312   1HB   ARG  38           HB2      ARG  38  -0.103   4.366   2.481
  313   2HB   ARG  38           HB3      ARG  38   0.697   4.663   4.011
  314   1HG   ARG  38           HG2      ARG  38   1.733   2.563   4.007
  315   2HG   ARG  38           HG3      ARG  38   0.727   1.996   2.672
  316   1HD   ARG  38           HD2      ARG  38   3.152   2.755   2.213
  317   2HD   ARG  38           HD3      ARG  38   1.894   3.212   1.101
  318    HE   ARG  38           HE       ARG  38   1.972   5.425   2.075
  319   1HH1  ARG  38          1HH1      ARG  38   4.543   3.257   2.983
  320   2HH1  ARG  38          2HH1      ARG  38   5.678   4.525   3.304
  321   1HH2  ARG  38          1HH2      ARG  38   3.481   7.106   2.474
  322   2HH2  ARG  38          2HH2      ARG  38   5.075   6.707   3.017
  323    H    VAL  39           H        VAL  39  -0.146   4.071   6.450
  324    HA   VAL  39           HA       VAL  39  -2.423   5.514   7.392
  325    HB   VAL  39           HB       VAL  39   0.386   5.494   8.508
  326   1HG1  VAL  39          2HG1      VAL  39  -2.245   6.257   9.771
  327   2HG1  VAL  39          1HG1      VAL  39  -0.701   6.140  10.615
  328   3HG1  VAL  39          3HG1      VAL  39  -0.927   7.351   9.353
  329   1HG2  VAL  39          2HG2      VAL  39  -0.835   3.257   8.245
  330   2HG2  VAL  39          1HG2      VAL  39  -0.186   3.662   9.836
  331   3HG2  VAL  39          3HG2      VAL  39  -1.910   3.850   9.511
  332    H    GLY  40           H        GLY  40  -2.891   7.629   7.301
  333   1HA   GLY  40           HA3      GLY  40  -0.878   9.650   6.974
  334   2HA   GLY  40           HA2      GLY  40  -2.616   9.908   7.022
  335    H    PHE  41           H        PHE  41  -2.306   7.597   4.800
  336    HA   PHE  41           HA       PHE  41  -2.083   9.539   2.599
  337   1HB   PHE  41           HB2      PHE  41  -1.114   6.675   2.550
  338   2HB   PHE  41           HB3      PHE  41  -0.979   7.843   1.240
  339    HD1  PHE  41           HD1      PHE  41   0.597   6.433   4.044
  340    HD2  PHE  41           HD2      PHE  41   0.319  10.021   1.792
  341    HE1  PHE  41           HE1      PHE  41   2.743   7.184   4.992
  342    HE2  PHE  41           HE2      PHE  41   2.467  10.784   2.723
  343    HZ   PHE  41           HZ       PHE  41   3.681   9.364   4.330
  344    H    VAL  42           H        VAL  42  -4.018   7.505   4.255
  345    HA   VAL  42           HA       VAL  42  -5.466   5.999   2.490
  346    HB   VAL  42           HB       VAL  42  -6.711   7.655   4.683
  347   1HG1  VAL  42          1HG1      VAL  42  -8.242   6.481   3.118
  348   2HG1  VAL  42          3HG1      VAL  42  -7.501   4.958   3.607
  349   3HG1  VAL  42          2HG1      VAL  42  -8.370   5.936   4.790
  350   1HG2  VAL  42          3HG2      VAL  42  -4.630   6.365   5.335
  351   2HG2  VAL  42          2HG2      VAL  42  -6.094   6.026   6.255
  352   3HG2  VAL  42          1HG2      VAL  42  -5.558   4.905   5.005
  353    H    GLY  43           H        GLY  43  -6.259   6.541   0.570
  354   1HA   GLY  43           HA3      GLY  43  -7.656   9.135   0.322
  355   2HA   GLY  43           HA2      GLY  43  -8.166   7.671  -0.507
  356    H    LYS  44           H        LYS  44  -4.793   8.170  -0.306
  357    HA   LYS  44           HA       LYS  44  -4.530   9.683  -2.731
  358   1HB   LYS  44           HB2      LYS  44  -2.461   8.200  -1.098
  359   2HB   LYS  44           HB3      LYS  44  -2.123   9.335  -2.393
  360   1HG   LYS  44           HG2      LYS  44  -3.245  11.107  -1.078
  361   2HG   LYS  44           HG3      LYS  44  -3.433   9.952   0.244
  362   1HD   LYS  44           HD2      LYS  44  -1.495  11.288   0.688
  363   2HD   LYS  44           HD3      LYS  44  -0.959   9.662   0.259
  364   1HE   LYS  44           HE2      LYS  44   0.423  11.352  -0.825
  365   2HE   LYS  44           HE3      LYS  44  -0.480  10.414  -2.014
  366   1HZ   LYS  44           HZ2      LYS  44  -2.083  12.218  -2.165
  367   2HZ   LYS  44           HZ1      LYS  44  -1.213  13.118  -1.027
  368   3HZ   LYS  44           HZ3      LYS  44  -0.526  12.768  -2.535
  369    H    ASP  45           H        ASP  45  -2.292   8.312  -3.846
  370    HA   ASP  45           HA       ASP  45  -3.608   5.914  -4.940
  371   1HB   ASP  45           HB2      ASP  45  -3.519   7.822  -6.536
  372   2HB   ASP  45           HB3      ASP  45  -1.764   7.803  -6.414
  373    H    VAL  46           H        VAL  46  -0.416   7.453  -4.665
  374    HA   VAL  46           HA       VAL  46   0.905   4.875  -4.774
  375    HB   VAL  46           HB       VAL  46   2.185   7.555  -4.273
  376   1HG1  VAL  46          3HG1      VAL  46   3.573   5.616  -3.766
  377   2HG1  VAL  46          2HG1      VAL  46   3.271   4.967  -5.378
  378   3HG1  VAL  46          1HG1      VAL  46   4.176   6.470  -5.187
  379   1HG2  VAL  46          1HG2      VAL  46   0.857   7.645  -6.319
  380   2HG2  VAL  46          3HG2      VAL  46   2.584   7.684  -6.668
  381   3HG2  VAL  46          2HG2      VAL  46   1.669   6.196  -6.910
  382    H    LEU  47           H        LEU  47   0.319   7.425  -2.423
  383    HA   LEU  47           HA       LEU  47   0.299   7.394  -0.153
  384   1HB   LEU  47           HB2      LEU  47   1.283   4.576  -0.107
  385   2HB   LEU  47           HB3      LEU  47   0.289   5.416   1.060
  386    HG   LEU  47           HG       LEU  47  -0.669   4.651  -1.692
  387   1HD1  LEU  47          3HD1      LEU  47  -0.965   3.210   0.934
  388   2HD1  LEU  47          2HD1      LEU  47  -1.935   2.868  -0.500
  389   3HD1  LEU  47          1HD1      LEU  47  -0.189   2.617  -0.535
  390   1HD2  LEU  47          3HD2      LEU  47  -2.129   5.585   0.772
  391   2HD2  LEU  47          2HD2      LEU  47  -1.877   6.508  -0.709
  392   3HD2  LEU  47          1HD2      LEU  47  -2.886   5.062  -0.733
  393    H    SER  48           H        SER  48   3.017   5.665  -1.621
  394    HA   SER  48           HA       SER  48   4.963   6.056   0.290
  395   1HB   SER  48           HB2      SER  48   6.513   5.518  -1.385
  396   2HB   SER  48           HB3      SER  48   5.030   4.744  -1.927
  397    HG   SER  48           HG       SER  48   6.141   5.946  -3.578
  398    H    ASP  49           H        ASP  49   7.068   7.426  -0.522
  399    HA   ASP  49           HA       ASP  49   6.397  10.106  -1.350
  400   1HB   ASP  49           HB2      ASP  49   7.207   9.510   1.490
  401   2HB   ASP  49           HB3      ASP  49   7.437  11.096   0.758
  402    H    GLU  50           H        GLU  50   9.020   9.256   0.819
  403    HA   GLU  50           HA       GLU  50  10.909   9.346  -1.429
  404   1HB   GLU  50           HB2      GLU  50  12.391  10.757  -0.120
  405   2HB   GLU  50           HB3      GLU  50  10.817  11.525  -0.292
  406   1HG   GLU  50           HG2      GLU  50  10.212  10.763   1.959
  407   2HG   GLU  50           HG3      GLU  50  11.821  10.063   2.138
  408    H    ILE  51           H        ILE  51  10.125   8.218   1.783
  409    HA   ILE  51           HA       ILE  51  12.565   6.813   2.244
  410    HB   ILE  51           HB       ILE  51   9.888   6.278   3.525
  411   1HG1  ILE  51          2HG1      ILE  51  10.497   8.690   3.594
  412   2HG1  ILE  51          3HG1      ILE  51  10.441   7.940   5.181
  413   1HG2  ILE  51          2HG2      ILE  51  12.725   5.788   4.414
  414   2HG2  ILE  51          1HG2      ILE  51  11.312   5.610   5.454
  415   3HG2  ILE  51          3HG2      ILE  51  11.496   4.581   4.034
  416   1HD1  ILE  51          3HD1      ILE  51  12.946   8.468   3.603
  417   2HD1  ILE  51          2HD1      ILE  51  12.341   9.464   4.928
  418   3HD1  ILE  51          1HD1      ILE  51  12.856   7.805   5.235
  419    H    LEU  52           H        LEU  52   9.375   5.292   2.192
  420    HA   LEU  52           HA       LEU  52  10.538   3.053   0.695
  421   1HB   LEU  52           HB2      LEU  52   8.408   3.329   2.718
  422   2HB   LEU  52           HB3      LEU  52   8.089   2.171   1.442
  423    HG   LEU  52           HG       LEU  52  10.589   2.134   3.114
  424   1HD1  LEU  52          1HD1      LEU  52   8.021   0.605   3.495
  425   2HD1  LEU  52          3HD1      LEU  52   9.534   0.275   4.340
  426   3HD1  LEU  52          2HD1      LEU  52   8.703   1.812   4.586
  427   1HD2  LEU  52          1HD2      LEU  52  10.679   1.020   0.910
  428   2HD2  LEU  52          3HD2      LEU  52  10.856  -0.102   2.260
  429   3HD2  LEU  52          2HD2      LEU  52   9.320   0.008   1.399
  430    H    GLU  53           H        GLU  53  10.217   3.103  -1.439
  431    HA   GLU  53           HA       GLU  53   8.168   4.591  -2.707
  432   1HB   GLU  53           HB2      GLU  53  10.386   2.870  -3.505
  433   2HB   GLU  53           HB3      GLU  53   8.983   2.683  -4.548
  434   1HG   GLU  53           HG2      GLU  53   9.726   5.447  -3.924
  435   2HG   GLU  53           HG3      GLU  53  10.899   4.540  -4.875
  436    H    VAL  54           H        VAL  54   6.446   3.655  -1.295
  437    HA   VAL  54           HA       VAL  54   5.595   0.970  -1.732
  438    HB   VAL  54           HB       VAL  54   3.921   3.199  -0.602
  439   1HG1  VAL  54          2HG1      VAL  54   2.772   1.109  -1.159
  440   2HG1  VAL  54          1HG1      VAL  54   3.899   0.221  -0.135
  441   3HG1  VAL  54          3HG1      VAL  54   2.798   1.398   0.580
  442   1HG2  VAL  54          1HG2      VAL  54   6.137   1.628   0.650
  443   2HG2  VAL  54          3HG2      VAL  54   5.807   3.357   0.737
  444   3HG2  VAL  54          2HG2      VAL  54   4.792   2.220   1.624
  445    H    VAL  55           H        VAL  55   5.419   0.906  -4.044
  446    HA   VAL  55           HA       VAL  55   3.454   2.552  -5.340
  447    HB   VAL  55           HB       VAL  55   4.691   0.020  -6.396
  448   1HG1  VAL  55          1HG1      VAL  55   2.650   0.942  -7.514
  449   2HG1  VAL  55          3HG1      VAL  55   3.586   2.389  -7.887
  450   3HG1  VAL  55          2HG1      VAL  55   4.072   0.830  -8.554
  451   1HG2  VAL  55          3HG2      VAL  55   6.457   1.572  -5.737
  452   2HG2  VAL  55          2HG2      VAL  55   6.355   1.455  -7.494
  453   3HG2  VAL  55          1HG2      VAL  55   5.684   2.858  -6.662
  454    H    CYS  56           H        CYS  56   1.686   2.132  -4.027
  455    HA   CYS  56           HA       CYS  56   0.581  -0.566  -4.000
  456   1HB   CYS  56           HB2      CYS  56   0.603   0.590  -1.870
  457   2HB   CYS  56           HB3      CYS  56  -0.269   1.953  -2.562
  458    HG   CYS  56           HG       CYS  56  -2.487   1.061  -1.626
  459    H    LYS  57           H        LYS  57  -1.272  -1.149  -4.974
  460    HA   LYS  57           HA       LYS  57  -2.747   0.886  -6.483
  461   1HB   LYS  57           HB2      LYS  57  -2.213  -1.850  -7.594
  462   2HB   LYS  57           HB3      LYS  57  -2.812  -0.431  -8.436
  463   1HG   LYS  57           HG2      LYS  57  -0.636   0.641  -8.211
  464   2HG   LYS  57           HG3      LYS  57  -0.026  -0.770  -7.345
  465   1HD   LYS  57           HD2      LYS  57  -0.455  -2.158  -9.323
  466   2HD   LYS  57           HD3      LYS  57  -1.033  -0.732 -10.189
  467   1HE   LYS  57           HE2      LYS  57   1.270  -1.233 -10.792
  468   2HE   LYS  57           HE3      LYS  57   1.164   0.309  -9.943
  469   1HZ   LYS  57           HZ3      LYS  57   1.986  -2.275  -8.730
  470   2HZ   LYS  57           HZ2      LYS  57   3.026  -1.012  -9.156
  471   3HZ   LYS  57           HZ1      LYS  57   1.891  -0.792  -7.920
  472    H    TYR  58           H        TYR  58  -4.639   0.919  -5.528
  473    HA   TYR  58           HA       TYR  58  -5.802  -1.410  -4.298
  474   1HB   TYR  58           HB2      TYR  58  -6.017   0.970  -3.422
  475   2HB   TYR  58           HB3      TYR  58  -7.116   1.276  -4.763
  476    HD1  TYR  58           HD1      TYR  58  -7.256   1.019  -1.471
  477    HD2  TYR  58           HD2      TYR  58  -8.770  -1.119  -4.846
  478    HE1  TYR  58           HE1      TYR  58  -9.159   0.208  -0.132
  479    HE2  TYR  58           HE2      TYR  58 -10.647  -1.945  -3.506
  480    HH   TYR  58           HH       TYR  58 -11.440  -0.632  -0.474
  481    H    THR  59           H        THR  59  -6.743  -2.924  -5.504
  482    HA   THR  59           HA       THR  59  -8.147  -2.096  -7.961
  483    HB   THR  59           HB       THR  59  -7.036  -4.837  -7.344
  484    HG1  THR  59           HG1      THR  59  -5.730  -2.623  -8.042
  485   1HG2  THR  59          2HG2      THR  59  -8.050  -3.603  -9.910
  486   2HG2  THR  59          1HG2      THR  59  -7.350  -5.213  -9.752
  487   3HG2  THR  59          3HG2      THR  59  -8.877  -4.833  -8.954
  488    HA   PRO  60           HA       PRO  60 -11.668  -3.931  -5.829
  489   1HB   PRO  60           HB2      PRO  60 -13.437  -2.074  -6.547
  490   2HB   PRO  60           HB3      PRO  60 -12.174  -1.696  -5.374
  491   1HG   PRO  60           HG2      PRO  60 -12.446  -0.844  -8.190
  492   2HG   PRO  60           HG3      PRO  60 -11.571  -0.067  -6.859
  493   1HD   PRO  60           HD2      PRO  60 -10.543  -1.807  -8.916
  494   2HD   PRO  60           HD3      PRO  60  -9.653  -0.946  -7.644
  495    H    THR  61           H        THR  61 -11.928  -5.809  -7.090
  496    HA   THR  61           HA       THR  61 -13.467  -5.449  -9.580
  497    HB   THR  61           HB       THR  61 -11.739  -7.856  -9.135
  498    HG1  THR  61           HG1      THR  61 -10.283  -6.412 -10.611
  499   1HG2  THR  61          2HG2      THR  61 -12.664  -6.399 -11.611
  500   2HG2  THR  61          1HG2      THR  61 -11.676  -7.861 -11.590
  501   3HG2  THR  61          3HG2      THR  61 -13.330  -7.906 -10.981
  502    HA   PRO  62           HA       PRO  62 -16.783  -7.714  -7.692
  503   1HB   PRO  62           HB2      PRO  62 -17.519  -9.101 -10.022
  504   2HB   PRO  62           HB3      PRO  62 -18.155  -7.545  -9.488
  505   1HG   PRO  62           HG2      PRO  62 -16.008  -8.137 -11.469
  506   2HG   PRO  62           HG3      PRO  62 -17.231  -6.852 -11.485
  507   1HD   PRO  62           HD2      PRO  62 -14.694  -6.328 -10.849
  508   2HD   PRO  62           HD3      PRO  62 -16.031  -5.532  -9.988
  509    H    SER  63           H        SER  63 -16.786  -9.554  -6.562
  510    HA   SER  63           HA       SER  63 -14.737 -11.495  -6.897
  511   1HB   SER  63           HB2      SER  63 -15.751 -10.922  -4.699
  512   2HB   SER  63           HB3      SER  63 -17.252 -11.687  -5.221
  513    HG   SER  63           HG       SER  63 -16.056 -13.165  -4.040
  514    H    SER  64           H        SER  64 -15.655 -13.947  -6.652
  515    HA   SER  64           HA       SER  64 -17.025 -14.411  -9.188
  516   1HB   SER  64           HB2      SER  64 -16.241 -16.741  -8.938
  517   2HB   SER  64           HB3      SER  64 -14.911 -15.588  -8.837
  518    HG   SER  64           HG       SER  64 -15.060 -17.347  -7.192
  519    H    THR  65           H        THR  65 -17.792 -14.239  -5.931
  520    HA   THR  65           HA       THR  65 -19.929 -16.227  -6.120
  521    HB   THR  65           HB       THR  65 -20.293 -15.772  -3.709
  522    HG1  THR  65           HG1      THR  65 -18.177 -13.949  -4.181
  523   1HG2  THR  65          2HG2      THR  65 -18.821 -17.596  -4.405
  524   2HG2  THR  65          1HG2      THR  65 -17.454 -16.484  -4.458
  525   3HG2  THR  65          3HG2      THR  65 -18.232 -16.851  -2.919
  526    HA   PRO  66           HA       PRO  66 -23.058 -13.142  -6.687
  527   1HB   PRO  66           HB2      PRO  66 -25.225 -14.479  -5.898
  528   2HB   PRO  66           HB3      PRO  66 -24.298 -15.021  -7.305
  529   1HG   PRO  66           HG2      PRO  66 -24.154 -15.999  -4.461
  530   2HG   PRO  66           HG3      PRO  66 -24.325 -16.954  -5.950
  531   1HD   PRO  66           HD2      PRO  66 -21.942 -16.570  -4.723
  532   2HD   PRO  66           HD3      PRO  66 -22.088 -16.725  -6.486
  533    H    MET  67           H        MET  67 -21.568 -13.029  -4.127
  534    HA   MET  67           HA       MET  67 -23.689 -11.810  -2.492
  535   1HB   MET  67           HB2      MET  67 -22.940 -14.001  -1.547
  536   2HB   MET  67           HB3      MET  67 -21.321 -13.336  -1.394
  537   1HG   MET  67           HG2      MET  67 -22.150 -11.643   0.145
  538   2HG   MET  67           HG3      MET  67 -23.783 -12.285  -0.020
  539   1HE   MET  67           HE3      MET  67 -20.399 -14.295   0.182
  540   2HE   MET  67           HE2      MET  67 -20.150 -12.951   1.297
  541   3HE   MET  67           HE1      MET  67 -20.288 -14.597   1.916
  542    H    VAL  68           H        VAL  68 -20.966 -11.328  -4.241
  543    HA   VAL  68           HA       VAL  68 -20.245  -8.937  -2.682
  544    HB   VAL  68           HB       VAL  68 -18.381 -10.798  -4.155
  545   1HG1  VAL  68          2HG1      VAL  68 -17.803  -8.122  -2.886
  546   2HG1  VAL  68          1HG1      VAL  68 -16.581  -9.256  -3.460
  547   3HG1  VAL  68          3HG1      VAL  68 -17.703  -8.517  -4.601
  548   1HG2  VAL  68          2HG2      VAL  68 -19.002 -11.560  -1.931
  549   2HG2  VAL  68          1HG2      VAL  68 -17.314 -11.049  -1.964
  550   3HG2  VAL  68          3HG2      VAL  68 -18.538 -10.000  -1.251
  551    H    GLY  69           H        GLY  69 -20.259  -7.069  -3.781
  552   1HA   GLY  69           HA3      GLY  69 -20.917  -5.691  -5.539
  553   2HA   GLY  69           HA2      GLY  69 -21.052  -7.110  -6.567
  554    H    VAL  70           H        VAL  70 -18.423  -5.509  -4.761
  555    HA   VAL  70           HA       VAL  70 -16.648  -5.937  -7.041
  556    HB   VAL  70           HB       VAL  70 -17.020  -3.210  -5.785
  557   1HG1  VAL  70          3HG1      VAL  70 -15.237  -4.128  -8.041
  558   2HG1  VAL  70          2HG1      VAL  70 -15.460  -2.454  -7.531
  559   3HG1  VAL  70          1HG1      VAL  70 -14.715  -3.618  -6.435
  560   1HG2  VAL  70          3HG2      VAL  70 -17.768  -4.197  -8.536
  561   2HG2  VAL  70          2HG2      VAL  70 -18.887  -3.762  -7.244
  562   3HG2  VAL  70          1HG2      VAL  70 -17.868  -2.525  -7.982
  563    H    GLY  71           H        GLY  71 -15.707  -7.477  -5.581
  564   1HA   GLY  71           HA3      GLY  71 -14.732  -7.879  -3.357
  565   2HA   GLY  71           HA2      GLY  71 -14.158  -6.222  -3.401
  566    H    GLY  72           H        GLY  72 -12.209  -5.792  -4.253
  567   1HA   GLY  72           HA3      GLY  72 -10.446  -6.216  -5.840
  568   2HA   GLY  72           HA2      GLY  72 -10.857  -7.923  -5.775
  569    H    ILE  73           H        ILE  73  -8.431  -6.025  -5.067
  570    HA   ILE  73           HA       ILE  73  -7.939  -6.915  -2.350
  571    HB   ILE  73           HB       ILE  73  -5.732  -7.841  -2.916
  572   1HG1  ILE  73          2HG1      ILE  73  -6.563  -8.167  -5.758
  573   2HG1  ILE  73          3HG1      ILE  73  -5.806  -6.659  -5.249
  574   1HG2  ILE  73          2HG2      ILE  73  -7.699  -9.278  -2.543
  575   2HG2  ILE  73          1HG2      ILE  73  -7.935  -9.338  -4.291
  576   3HG2  ILE  73          3HG2      ILE  73  -6.466 -10.005  -3.575
  577   1HD1  ILE  73          3HD1      ILE  73  -3.895  -7.949  -4.382
  578   2HD1  ILE  73          2HD1      ILE  73  -4.644  -9.422  -4.997
  579   3HD1  ILE  73          1HD1      ILE  73  -4.136  -8.158  -6.118
  580    H    TYR  74           H        TYR  74  -5.261  -6.387  -2.198
  581    HA   TYR  74           HA       TYR  74  -4.957  -3.612  -3.096
  582   1HB   TYR  74           HB2      TYR  74  -4.082  -4.420  -0.342
  583   2HB   TYR  74           HB3      TYR  74  -4.480  -2.818  -0.957
  584    HD1  TYR  74           HD1      TYR  74  -6.743  -2.004  -0.918
  585    HD2  TYR  74           HD2      TYR  74  -5.894  -6.000   0.260
  586    HE1  TYR  74           HE1      TYR  74  -9.005  -2.216   0.027
  587    HE2  TYR  74           HE2      TYR  74  -8.147  -6.211   1.199
  588    HH   TYR  74           HH       TYR  74 -10.617  -3.980   0.575
  589    H    VAL  75           H        VAL  75  -3.336  -3.964  -4.542
  590    HA   VAL  75           HA       VAL  75  -1.131  -5.726  -3.913
  591    HB   VAL  75           HB       VAL  75  -1.688  -4.024  -6.344
  592   1HG1  VAL  75          2HG1      VAL  75   0.556  -5.978  -5.847
  593   2HG1  VAL  75          1HG1      VAL  75   0.170  -5.251  -7.406
  594   3HG1  VAL  75          3HG1      VAL  75   0.709  -4.235  -6.070
  595   1HG2  VAL  75          1HG2      VAL  75  -3.187  -5.937  -6.053
  596   2HG2  VAL  75          3HG2      VAL  75  -2.125  -6.154  -7.444
  597   3HG2  VAL  75          2HG2      VAL  75  -1.792  -7.010  -5.938
  598    H    VAL  76           H        VAL  76   0.211  -4.906  -2.421
  599    HA   VAL  76           HA       VAL  76   1.098  -2.120  -2.716
  600    HB   VAL  76           HB       VAL  76   1.475  -3.950  -0.345
  601   1HG1  VAL  76          2HG1      VAL  76   1.944  -0.999  -0.737
  602   2HG1  VAL  76          1HG1      VAL  76   1.964  -1.809   0.830
  603   3HG1  VAL  76          3HG1      VAL  76   3.152  -2.237  -0.401
  604   1HG2  VAL  76          3HG2      VAL  76  -0.894  -3.494  -0.724
  605   2HG2  VAL  76          2HG2      VAL  76  -0.313  -2.669   0.721
  606   3HG2  VAL  76          1HG2      VAL  76  -0.560  -1.763  -0.772
  607    H    LEU  77           H        LEU  77   2.995  -1.761  -3.642
  608    HA   LEU  77           HA       LEU  77   5.079  -3.833  -3.485
  609   1HB   LEU  77           HB2      LEU  77   4.657  -1.616  -5.488
  610   2HB   LEU  77           HB3      LEU  77   6.104  -2.606  -5.430
  611    HG   LEU  77           HG       LEU  77   3.293  -3.583  -5.984
  612   1HD1  LEU  77          3HD1      LEU  77   4.247  -2.321  -7.835
  613   2HD1  LEU  77          2HD1      LEU  77   5.697  -3.323  -7.785
  614   3HD1  LEU  77          1HD1      LEU  77   4.147  -4.038  -8.228
  615   1HD2  LEU  77          3HD2      LEU  77   4.988  -5.108  -4.734
  616   2HD2  LEU  77          2HD2      LEU  77   4.092  -5.744  -6.115
  617   3HD2  LEU  77          1HD2      LEU  77   5.764  -5.226  -6.313
  618    H    VAL  78           H        VAL  78   6.171  -3.328  -1.655
  619    HA   VAL  78           HA       VAL  78   6.842  -0.533  -1.150
  620    HB   VAL  78           HB       VAL  78   7.974  -2.304   0.795
  621   1HG1  VAL  78          1HG1      VAL  78   5.729  -0.277   0.898
  622   2HG1  VAL  78          3HG1      VAL  78   6.501  -1.004   2.310
  623   3HG1  VAL  78          2HG1      VAL  78   7.440   0.019   1.226
  624   1HG2  VAL  78          2HG2      VAL  78   6.281  -3.905   0.057
  625   2HG2  VAL  78          1HG2      VAL  78   5.944  -3.315   1.683
  626   3HG2  VAL  78          3HG2      VAL  78   5.025  -2.694   0.313
  627    H    LYS  79           H        LYS  79   8.507   0.133  -2.330
  628    HA   LYS  79           HA       LYS  79  10.882  -1.582  -2.546
  629   1HB   LYS  79           HB2      LYS  79   9.675   0.500  -4.285
  630   2HB   LYS  79           HB3      LYS  79  11.428   0.361  -4.292
  631   1HG   LYS  79           HG2      LYS  79  11.193  -2.039  -4.836
  632   2HG   LYS  79           HG3      LYS  79   9.437  -1.808  -4.953
  633   1HD   LYS  79           HD2      LYS  79  11.389  -0.185  -6.572
  634   2HD   LYS  79           HD3      LYS  79  10.774  -1.742  -7.127
  635   1HE   LYS  79           HE2      LYS  79   9.397  -0.082  -8.107
  636   2HE   LYS  79           HE3      LYS  79   8.456  -0.822  -6.813
  637   1HZ   LYS  79           HZ2      LYS  79   9.970   1.705  -6.483
  638   2HZ   LYS  79           HZ1      LYS  79   8.338   1.649  -6.924
  639   3HZ   LYS  79           HZ3      LYS  79   8.831   1.042  -5.425
  640    HA   PRO  80           HA       PRO  80  12.481   1.206   0.671
  641   1HB   PRO  80           HB2      PRO  80  14.883  -0.456   0.116
  642   2HB   PRO  80           HB3      PRO  80  14.123  -0.049   1.658
  643   1HG   PRO  80           HG2      PRO  80  13.847  -2.479   0.594
  644   2HG   PRO  80           HG3      PRO  80  12.515  -1.694   1.458
  645   1HD   PRO  80           HD2      PRO  80  12.917  -2.064  -1.474
  646   2HD   PRO  80           HD3      PRO  80  11.418  -2.093  -0.524
  647    H    ARG  81           H        ARG  81  12.574   3.097  -0.534
  648    HA   ARG  81           HA       ARG  81  14.301   3.565  -2.704
  649   1HB   ARG  81           HB2      ARG  81  12.362   5.014  -1.210
  650   2HB   ARG  81           HB3      ARG  81  13.810   6.004  -1.318
  651   1HG   ARG  81           HG2      ARG  81  13.778   5.815  -3.736
  652   2HG   ARG  81           HG3      ARG  81  12.373   4.750  -3.645
  653   1HD   ARG  81           HD2      ARG  81  11.070   6.544  -2.628
  654   2HD   ARG  81           HD3      ARG  81  12.473   7.613  -2.699
  655    HE   ARG  81           HE       ARG  81  11.685   6.524  -5.248
  656   1HH1  ARG  81          1HH1      ARG  81  11.247   9.118  -2.962
  657   2HH1  ARG  81          2HH1      ARG  81  10.660  10.236  -4.149
  658   1HH2  ARG  81          1HH2      ARG  81  10.916   7.989  -6.815
  659   2HH2  ARG  81          2HH2      ARG  81  10.472   9.595  -6.338
  660    H    LYS  82           H        LYS  82  14.657   4.154   0.767
  661    HA   LYS  82           HA       LYS  82  17.469   4.892   0.288
  662   1HB   LYS  82           HB2      LYS  82  15.777   5.563   2.701
  663   2HB   LYS  82           HB3      LYS  82  17.407   6.133   2.370
  664   1HG   LYS  82           HG2      LYS  82  16.539   7.302   0.365
  665   2HG   LYS  82           HG3      LYS  82  14.909   6.816   0.836
  666   1HD   LYS  82           HD2      LYS  82  15.149   8.022   2.944
  667   2HD   LYS  82           HD3      LYS  82  16.788   8.497   2.493
  668   1HE   LYS  82           HE2      LYS  82  15.885   9.693   0.544
  669   2HE   LYS  82           HE3      LYS  82  14.252   9.250   1.042
  670   1HZ   LYS  82           HZ2      LYS  82  16.145  10.908   2.619
  671   2HZ   LYS  82           HZ1      LYS  82  14.822  11.491   1.742
  672   3HZ   LYS  82           HZ3      LYS  82  14.574  10.492   3.085
  673    H    ARG  83           H        ARG  83  18.861   4.408   2.310
  674    HA   ARG  83           HA       ARG  83  18.274   1.651   3.165
  675   1HB   ARG  83           HB2      ARG  83  20.971   2.987   2.906
  676   2HB   ARG  83           HB3      ARG  83  20.677   1.300   3.300
  677   1HG   ARG  83           HG2      ARG  83  19.775   0.893   1.109
  678   2HG   ARG  83           HG3      ARG  83  19.900   2.607   0.704
  679   1HD   ARG  83           HD2      ARG  83  21.756   1.504  -0.295
  680   2HD   ARG  83           HD3      ARG  83  22.360   2.429   1.080
  681    HE   ARG  83           HE       ARG  83  21.890  -0.058   2.091
  682   1HH1  ARG  83          1HH1      ARG  83  23.774   1.201  -0.555
  683   2HH1  ARG  83          2HH1      ARG  83  24.973  -0.046  -0.465
  684   1HH2  ARG  83          1HH2      ARG  83  23.463  -1.705   2.218
  685   2HH2  ARG  83          2HH2      ARG  83  24.795  -1.698   1.111
  686    H    GLY  84           H        GLY  84  17.467   1.718   5.171
  687   1HA   GLY  84           HA3      GLY  84  18.063   3.771   7.053
  688   2HA   GLY  84           HA2      GLY  84  18.983   2.316   7.406
  689    H    HIS  85           H        HIS  85  16.328   3.922   8.295
  690    HA   HIS  85           HA       HIS  85  14.979   1.457   9.151
  691   1HB   HIS  85           HB2      HIS  85  14.802   4.257  10.285
  692   2HB   HIS  85           HB3      HIS  85  13.963   2.845  10.919
  693    HD1  HIS  85           HD1      HIS  85  17.148   4.649  11.082
  694    HD2  HIS  85           HD2      HIS  85  15.736   0.868  12.069
  695    HE1  HIS  85           HE1      HIS  85  18.882   3.663  12.612
  696    HE2  HIS  85           HE2      HIS  85  17.966   1.408  13.263
  697    H    HIS  86           H        HIS  86  13.574   0.979   7.544
  698    HA   HIS  86           HA       HIS  86  11.625   3.058   6.788
  699   1HB   HIS  86           HB2      HIS  86  12.512   0.628   5.216
  700   2HB   HIS  86           HB3      HIS  86  11.283   1.779   4.705
  701    HD1  HIS  86           HD1      HIS  86  14.530   2.873   6.249
  702    HD2  HIS  86           HD2      HIS  86  12.698   2.711   2.524
  703    HE1  HIS  86           HE1      HIS  86  16.001   4.220   4.719
  704    HE2  HIS  86           HE2      HIS  86  14.812   4.197   2.498
  705    H    THR  87           H        THR  87   9.420   2.312   6.386
  706    HA   THR  87           HA       THR  87   8.632  -0.286   7.343
  707    HB   THR  87           HB       THR  87   7.739   2.125   8.933
  708    HG1  THR  87           HG1      THR  87   9.279  -0.008   9.963
  709   1HG2  THR  87          3HG2      THR  87   6.078   0.311   8.721
  710   2HG2  THR  87          2HG2      THR  87   7.262  -0.823   9.374
  711   3HG2  THR  87          1HG2      THR  87   6.662   0.499  10.375
  712    H    LEU  88           H        LEU  88   6.426  -0.768   6.958
  713    HA   LEU  88           HA       LEU  88   5.065   1.167   5.201
  714   1HB   LEU  88           HB2      LEU  88   5.785  -0.729   3.923
  715   2HB   LEU  88           HB3      LEU  88   5.123  -1.841   5.101
  716    HG   LEU  88           HG       LEU  88   2.837  -0.949   4.523
  717   1HD1  LEU  88          3HD1      LEU  88   3.534   1.174   3.561
  718   2HD1  LEU  88          2HD1      LEU  88   4.352   0.323   2.251
  719   3HD1  LEU  88          1HD1      LEU  88   2.596   0.232   2.402
  720   1HD2  LEU  88          1HD2      LEU  88   3.755  -3.069   3.638
  721   2HD2  LEU  88          3HD2      LEU  88   2.625  -2.284   2.535
  722   3HD2  LEU  88          2HD2      LEU  88   4.359  -2.183   2.239
  723    H    GLU  89           H        GLU  89   3.834   2.103   6.832
  724    HA   GLU  89           HA       GLU  89   2.268   0.544   8.633
  725   1HB   GLU  89           HB2      GLU  89   2.376   3.468   7.952
  726   2HB   GLU  89           HB3      GLU  89   1.199   2.816   9.082
  727   1HG   GLU  89           HG2      GLU  89   2.936   1.999  10.496
  728   2HG   GLU  89           HG3      GLU  89   4.172   2.517   9.353
  729    H    LEU  90           H        LEU  90   0.829  -0.770   7.596
  730    HA   LEU  90           HA       LEU  90  -1.146   0.548   5.857
  731   1HB   LEU  90           HB2      LEU  90  -0.308  -2.338   6.071
  732   2HB   LEU  90           HB3      LEU  90  -1.754  -1.837   5.219
  733    HG   LEU  90           HG       LEU  90   1.072  -1.024   4.529
  734   1HD1  LEU  90          3HD1      LEU  90  -0.862  -2.928   3.224
  735   2HD1  LEU  90          2HD1      LEU  90   0.634  -2.362   2.483
  736   3HD1  LEU  90          1HD1      LEU  90   0.690  -3.322   3.962
  737   1HD2  LEU  90          2HD2      LEU  90  -1.544  -0.386   3.172
  738   2HD2  LEU  90          1HD2      LEU  90  -0.489   0.756   4.004
  739   3HD2  LEU  90          3HD2      LEU  90   0.058  -0.031   2.524
  740    H    VAL  91           H        VAL  91  -3.232   0.639   6.455
  741    HA   VAL  91           HA       VAL  91  -4.099  -0.936   8.781
  742    HB   VAL  91           HB       VAL  91  -5.455   1.408   9.156
  743   1HG1  VAL  91          1HG1      VAL  91  -2.931   0.359  10.394
  744   2HG1  VAL  91          3HG1      VAL  91  -3.754   1.793  11.009
  745   3HG1  VAL  91          2HG1      VAL  91  -4.589   0.239  10.989
  746   1HG2  VAL  91          1HG2      VAL  91  -4.131   2.588   7.488
  747   2HG2  VAL  91          3HG2      VAL  91  -3.819   3.227   9.103
  748   3HG2  VAL  91          2HG2      VAL  91  -2.646   2.151   8.341
  749    H    TYR  92           H        TYR  92  -6.480  -0.810   9.092
  750    HA   TYR  92           HA       TYR  92  -7.882  -0.767   6.508
  751   1HB   TYR  92           HB2      TYR  92  -7.747  -2.870   8.073
  752   2HB   TYR  92           HB3      TYR  92  -8.979  -2.030   9.005
  753    HD1  TYR  92           HD1      TYR  92 -10.838  -3.423   8.694
  754    HD2  TYR  92           HD2      TYR  92  -8.636  -2.098   5.303
  755    HE1  TYR  92           HE1      TYR  92 -12.573  -4.343   7.214
  756    HE2  TYR  92           HE2      TYR  92 -10.368  -3.011   3.815
  757    HH   TYR  92           HH       TYR  92 -13.412  -4.010   4.929
  758    H    THR  93           H        THR  93  -8.330   1.446   6.462
  759    HA   THR  93           HA       THR  93 -10.059   2.474   8.626
  760    HB   THR  93           HB       THR  93  -7.958   3.668   8.571
  761    HG1  THR  93           HG1      THR  93  -9.030   5.776   7.604
  762   1HG2  THR  93          2HG2      THR  93  -8.478   3.644   5.653
  763   2HG2  THR  93          1HG2      THR  93  -7.712   5.090   6.318
  764   3HG2  THR  93          3HG2      THR  93  -6.956   3.510   6.536
  765    H    ARG  94           H        ARG  94 -11.446   4.343   7.910
  766    HA   ARG  94           HA       ARG  94 -12.732   3.674   5.358
  767   1HB   ARG  94           HB2      ARG  94 -13.774   5.256   7.716
  768   2HB   ARG  94           HB3      ARG  94 -14.679   4.914   6.248
  769   1HG   ARG  94           HG2      ARG  94 -14.517   2.507   6.741
  770   2HG   ARG  94           HG3      ARG  94 -13.682   2.896   8.246
  771   1HD   ARG  94           HD2      ARG  94 -16.048   2.473   8.646
  772   2HD   ARG  94           HD3      ARG  94 -15.631   4.147   9.014
  773    HE   ARG  94           HE       ARG  94 -16.524   4.053   6.375
  774   1HH1  ARG  94          1HH1      ARG  94 -17.771   3.534   9.588
  775   2HH1  ARG  94          2HH1      ARG  94 -19.388   4.000   9.174
  776   1HH2  ARG  94          1HH2      ARG  94 -18.649   4.668   5.823
  777   2HH2  ARG  94          2HH2      ARG  94 -19.886   4.643   7.035
  778    HA   PRO  95           HA       PRO  95 -10.283   7.304   3.946
  779   1HB   PRO  95           HB2      PRO  95 -12.086   6.571   1.663
  780   2HB   PRO  95           HB3      PRO  95 -10.396   7.086   1.634
  781   1HG   PRO  95           HG2      PRO  95 -11.009   4.510   1.397
  782   2HG   PRO  95           HG3      PRO  95  -9.621   5.017   2.374
  783   1HD   PRO  95           HD2      PRO  95 -12.275   4.007   3.241
  784   2HD   PRO  95           HD3      PRO  95 -10.696   3.867   4.034
  785    H    PHE  96           H        PHE  96 -13.774   6.785   3.604
  786    HA   PHE  96           HA       PHE  96 -14.399   9.507   3.116
  787   1HB   PHE  96           HB2      PHE  96 -16.593   8.048   4.292
  788   2HB   PHE  96           HB3      PHE  96 -16.410   8.665   2.657
  789    HD1  PHE  96           HD1      PHE  96 -16.465   5.756   4.726
  790    HD2  PHE  96           HD2      PHE  96 -15.187   7.264   0.958
  791    HE1  PHE  96           HE1      PHE  96 -16.277   3.455   3.874
  792    HE2  PHE  96           HE2      PHE  96 -14.997   4.966   0.098
  793    HZ   PHE  96           HZ       PHE  96 -15.545   3.058   1.557
  794    H    GLU  97           H        GLU  97 -14.366   7.482   6.019
  795    HA   GLU  97           HA       GLU  97 -15.221   9.737   7.661
  796   1HB   GLU  97           HB2      GLU  97 -14.608   6.876   8.429
  797   2HB   GLU  97           HB3      GLU  97 -15.259   8.102   9.507
  798   1HG   GLU  97           HG2      GLU  97 -16.611   7.028   7.041
  799   2HG   GLU  97           HG3      GLU  97 -16.994   6.597   8.707
  800    H    GLY  98           H        GLY  98 -12.788   7.269   8.387
  801   1HA   GLY  98           HA3      GLY  98 -11.152   9.156   9.789
  802   2HA   GLY  98           HA2      GLY  98 -10.451   8.706   8.241
  803    H    ILE  99           H        ILE  99  -8.847   8.072  10.079
  804    HA   ILE  99           HA       ILE  99  -9.082   5.177  10.287
  805    HB   ILE  99           HB       ILE  99  -6.675   6.772  11.080
  806   1HG1  ILE  99          2HG1      ILE  99  -7.241   5.777   8.286
  807   2HG1  ILE  99          3HG1      ILE  99  -7.535   7.442   8.783
  808   1HG2  ILE  99          3HG2      ILE  99  -7.254   3.951  10.249
  809   2HG2  ILE  99          2HG2      ILE  99  -5.629   4.619  10.089
  810   3HG2  ILE  99          1HG2      ILE  99  -6.399   4.540  11.674
  811   1HD1  ILE  99          1HD1      ILE  99  -5.144   7.631   9.363
  812   2HD1  ILE  99          3HD1      ILE  99  -4.895   6.000   8.744
  813   3HD1  ILE  99          2HD1      ILE  99  -5.422   7.284   7.655
  814    H    LYS 100           H        LYS 100  -8.611   4.049  12.220
  815    HA   LYS 100           HA       LYS 100  -8.712   5.547  14.719
  816   1HB   LYS 100           HB2      LYS 100 -10.727   3.459  13.899
  817   2HB   LYS 100           HB3      LYS 100 -10.571   4.091  15.519
  818   1HG   LYS 100           HG2      LYS 100 -11.254   6.258  14.842
  819   2HG   LYS 100           HG3      LYS 100 -11.104   5.838  13.133
  820   1HD   LYS 100           HD2      LYS 100 -12.990   4.300  14.868
  821   2HD   LYS 100           HD3      LYS 100 -13.456   5.897  14.280
  822   1HE   LYS 100           HE2      LYS 100 -13.163   5.198  11.994
  823   2HE   LYS 100           HE3      LYS 100 -12.520   3.640  12.514
  824   1HZ   LYS 100           HZ2      LYS 100 -15.283   4.616  12.996
  825   2HZ   LYS 100           HZ1      LYS 100 -14.832   3.465  11.843
  826   3HZ   LYS 100           HZ3      LYS 100 -14.668   3.120  13.491
  827    HA   PRO 101           HA       PRO 101  -6.049   2.460  16.362
  828   1HB   PRO 101           HB2      PRO 101  -7.264   1.815  18.752
  829   2HB   PRO 101           HB3      PRO 101  -6.264   3.245  18.491
  830   1HG   PRO 101           HG2      PRO 101  -9.240   2.988  18.491
  831   2HG   PRO 101           HG3      PRO 101  -8.226   4.283  19.152
  832   1HD   PRO 101           HD2      PRO 101  -9.521   4.554  16.817
  833   2HD   PRO 101           HD3      PRO 101  -7.922   5.276  17.092
  834    H    GLU 102           H        GLU 102  -9.488   1.667  16.590
  835    HA   GLU 102           HA       GLU 102  -9.199  -1.110  16.883
  836   1HB   GLU 102           HB2      GLU 102 -11.564  -1.204  16.071
  837   2HB   GLU 102           HB3      GLU 102 -11.292  -0.110  17.422
  838   1HG   GLU 102           HG2      GLU 102 -11.215   1.769  15.876
  839   2HG   GLU 102           HG3      GLU 102 -11.508   0.670  14.532
  840    H    ASN 103           H        ASN 103  -8.929   0.957  14.138
  841    HA   ASN 103           HA       ASN 103  -9.551  -0.697  12.018
  842   1HB   ASN 103           HB2      ASN 103  -7.333   1.337  12.257
  843   2HB   ASN 103           HB3      ASN 103  -7.811   0.584  10.740
  844   1HD2  ASN 103          1HD2      ASN 103 -10.261   1.221  13.073
  845   2HD2  ASN 103          2HD2      ASN 103 -10.963   2.582  12.279
  846    H    GLU 104           H        GLU 104  -8.637  -2.396  11.005
  847    HA   GLU 104           HA       GLU 104  -6.892  -4.099  12.278
  848   1HB   GLU 104           HB2      GLU 104  -8.405  -4.332  10.107
  849   2HB   GLU 104           HB3      GLU 104  -6.876  -4.034   9.296
  850   1HG   GLU 104           HG2      GLU 104  -5.910  -5.971  10.155
  851   2HG   GLU 104           HG3      GLU 104  -7.149  -6.144  11.397
  852    H    ARG 105           H        ARG 105  -4.679  -4.694  11.756
  853    HA   ARG 105           HA       ARG 105  -3.100  -2.355  10.904
  854   1HB   ARG 105           HB2      ARG 105  -2.972  -2.877  13.343
  855   2HB   ARG 105           HB3      ARG 105  -2.285  -4.439  12.931
  856   1HG   ARG 105           HG2      ARG 105  -0.311  -3.410  13.187
  857   2HG   ARG 105           HG3      ARG 105  -0.644  -2.762  11.572
  858   1HD   ARG 105           HD2      ARG 105  -0.013  -0.976  13.085
  859   2HD   ARG 105           HD3      ARG 105  -1.689  -0.797  12.566
  860    HE   ARG 105           HE       ARG 105  -1.741  -2.215  14.942
  861   1HH1  ARG 105          1HH1      ARG 105  -0.728   0.936  13.850
  862   2HH1  ARG 105          2HH1      ARG 105  -1.042   1.706  15.369
  863   1HH2  ARG 105          1HH2      ARG 105  -2.157  -1.208  16.947
  864   2HH2  ARG 105          2HH2      ARG 105  -1.853   0.487  17.129
  865    H    TYR 106           H        TYR 106  -1.061  -2.754   9.957
  866    HA   TYR 106           HA       TYR 106  -0.069  -5.299   9.272
  867   1HB   TYR 106           HB2      TYR 106  -2.058  -5.143   7.709
  868   2HB   TYR 106           HB3      TYR 106  -1.230  -3.802   6.916
  869    HD1  TYR 106           HD1      TYR 106   0.845  -4.235   5.640
  870    HD2  TYR 106           HD2      TYR 106  -1.373  -7.390   7.426
  871    HE1  TYR 106           HE1      TYR 106   2.055  -5.862   4.254
  872    HE2  TYR 106           HE2      TYR 106  -0.175  -9.023   6.049
  873    HH   TYR 106           HH       TYR 106   2.628  -8.256   4.298
  874    H    THR 107           H        THR 107   1.369  -3.736  10.475
  875    HA   THR 107           HA       THR 107   2.688  -1.769   8.786
  876    HB   THR 107           HB       THR 107   3.464  -2.484  11.608
  877    HG1  THR 107           HG1      THR 107   1.947  -0.958  12.298
  878   1HG2  THR 107          1HG2      THR 107   3.675   0.060   9.995
  879   2HG2  THR 107          3HG2      THR 107   4.204  -0.147  11.665
  880   3HG2  THR 107          2HG2      THR 107   4.998  -1.044  10.372
  881    H    LEU 108           H        LEU 108   3.934  -2.809   7.306
  882    HA   LEU 108           HA       LEU 108   5.594  -5.049   8.064
  883   1HB   LEU 108           HB2      LEU 108   4.545  -5.054   5.880
  884   2HB   LEU 108           HB3      LEU 108   5.318  -3.541   5.468
  885    HG   LEU 108           HG       LEU 108   7.494  -4.604   5.419
  886   1HD1  LEU 108          1HD1      LEU 108   6.043  -7.124   6.214
  887   2HD1  LEU 108          3HD1      LEU 108   7.742  -7.014   5.750
  888   3HD1  LEU 108          2HD1      LEU 108   7.174  -6.213   7.216
  889   1HD2  LEU 108          3HD2      LEU 108   6.115  -4.675   3.397
  890   2HD2  LEU 108          2HD2      LEU 108   7.183  -6.074   3.520
  891   3HD2  LEU 108          1HD2      LEU 108   5.469  -6.236   3.903
  892    H    HIS 109           H        HIS 109   7.123  -4.331   9.489
  893    HA   HIS 109           HA       HIS 109   8.715  -1.998   8.944
  894   1HB   HIS 109           HB2      HIS 109   8.670  -4.060  11.098
  895   2HB   HIS 109           HB3      HIS 109  10.054  -2.988  10.939
  896    HD1  HIS 109           HD1      HIS 109   9.822  -0.680  11.893
  897    HD2  HIS 109           HD2      HIS 109   6.192  -2.688  11.654
  898    HE1  HIS 109           HE1      HIS 109   8.169   0.776  13.105
  899    HE2  HIS 109           HE2      HIS 109   5.997  -0.500  13.020
  900    H    LEU 110           H        LEU 110  10.805  -1.905   8.292
  901    HA   LEU 110           HA       LEU 110  12.202  -4.344   7.541
  902   1HB   LEU 110           HB2      LEU 110  11.562  -2.136   5.586
  903   2HB   LEU 110           HB3      LEU 110  12.650  -3.470   5.267
  904    HG   LEU 110           HG       LEU 110   9.691  -3.742   5.817
  905   1HD1  LEU 110          2HD1      LEU 110  11.237  -3.882   3.232
  906   2HD1  LEU 110          1HD1      LEU 110   9.531  -4.286   3.426
  907   3HD1  LEU 110          3HD1      LEU 110  10.083  -2.633   3.698
  908   1HD2  LEU 110          3HD2      LEU 110  11.120  -5.681   6.476
  909   2HD2  LEU 110          2HD2      LEU 110   9.937  -6.038   5.217
  910   3HD2  LEU 110          1HD2      LEU 110  11.632  -5.803   4.793
  911    H    ASN 111           H        ASN 111  14.018  -4.016   8.722
  912    HA   ASN 111           HA       ASN 111  15.220  -1.425   8.988
  913   1HB   ASN 111           HB2      ASN 111  15.958  -4.202   9.884
  914   2HB   ASN 111           HB3      ASN 111  17.097  -2.874  10.034
  915   1HD2  ASN 111          1HD2      ASN 111  16.705  -1.242  11.497
  916   2HD2  ASN 111          2HD2      ASN 111  15.516  -1.375  12.742
  917    H    VAL 112           H        VAL 112  15.340  -1.101   6.657
  918    HA   VAL 112           HA       VAL 112  16.809  -2.630   4.870
  919    HB   VAL 112           HB       VAL 112  16.889   0.346   4.630
  920   1HG1  VAL 112          2HG1      VAL 112  17.818  -1.086   2.872
  921   2HG1  VAL 112          1HG1      VAL 112  16.243  -1.860   2.687
  922   3HG1  VAL 112          3HG1      VAL 112  16.437  -0.151   2.296
  923   1HG2  VAL 112          2HG2      VAL 112  14.406  -1.344   4.550
  924   2HG2  VAL 112          1HG2      VAL 112  14.694   0.139   5.458
  925   3HG2  VAL 112          3HG2      VAL 112  14.528   0.197   3.703
  926    H    LYS 113           H        LYS 113  18.880  -3.193   4.907
  927    HA   LYS 113           HA       LYS 113  20.846  -1.275   5.976
  928   1HB   LYS 113           HB2      LYS 113  20.878  -4.290   6.186
  929   2HB   LYS 113           HB3      LYS 113  22.184  -3.235   6.690
  930   1HG   LYS 113           HG2      LYS 113  19.426  -3.074   7.816
  931   2HG   LYS 113           HG3      LYS 113  20.711  -4.044   8.524
  932   1HD   LYS 113           HD2      LYS 113  22.075  -2.032   8.795
  933   2HD   LYS 113           HD3      LYS 113  20.789  -1.061   8.077
  934   1HE   LYS 113           HE2      LYS 113  20.742  -0.890  10.502
  935   2HE   LYS 113           HE3      LYS 113  19.291  -1.693   9.903
  936   1HZ   LYS 113           HZ3      LYS 113  21.665  -3.052  11.059
  937   2HZ   LYS 113           HZ2      LYS 113  20.184  -2.817  11.841
  938   3HZ   LYS 113           HZ1      LYS 113  20.271  -3.823  10.484

  No H/Q in entry =         938