*HEADER    RNA BINDING                             15-FEB-05   2BL5
*TITLE     SOLUTION STRUCTURE OF THE KH-QUA2 REGION OF THE XENOPUS
*TITLE    2 STAR-GSG QUAKING PROTEIN.
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: MGC83862 PROTEIN;
*COMPND   3 CHAIN: A;
*COMPND   4 SYNONYM: QUAKING PROTEIN;
*COMPND   5 FRAGMENT: KH-QUA2 REGION, RESIDUES 82-215;
*COMPND   6 ENGINEERED: YES
*SOURCE    MOL_ID: 1;
*SOURCE   2 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE   3 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
*SOURCE   4 ORGANISM_SCIENTIFIC: XENOPUS LAEVIS
*KEYWDS    STAR PROTEINS, GSG PROTEINS, QUAKING, RNA BINDING
*EXPDTA    NMR, 17 STRUCTURES
*AUTHOR    M.L.MAGUIRE,G.GULER-GANE,D.NIETLISPACH,A.R.C.RAINE,A.M.ZORN,
*AUTHOR   2 N.STANDART,R.W.BROADHURST




 ASSI {  901}
   (( segid "    " and resid 29   and name HB  ))
   (  segid "    " and resid 29   and name HG2%)
      3.600     1.600     1.600 peak   901 spectrum    1 weight  0.10000E+01 volume  0.56459E-03 ppm1     22.714 ppm2      3.762 CV     1
 ASSI {  902}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 30   and name HA  ))
      4.900     3.000     1.100 peak   902 spectrum    1 weight  0.10000E+01 volume  0.13904E-03 ppm1     55.664 ppm2      0.580 CV     1
 ASSI {  903}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 30   and name HA  ))
      4.200     2.200     1.800 peak   903 spectrum    1 weight  0.10000E+01 volume  0.32864E-03 ppm1     55.664 ppm2      0.785 CV     1
 OR {  903}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 30   and name HA  ))
 ASSI {  905}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      4.600     2.700     1.400 peak   905 spectrum    1 weight  0.10000E+01 volume  0.12219E-03 ppm1     55.664 ppm2      7.505 CV     1
 ASSI {  907}
   (  segid "    " and resid 41   and name HD1%)
   (  segid "    " and resid 30   and name HB% )
      3.500     1.500     1.500 peak   907 spectrum    1 weight  0.10000E+01 volume  0.33286E-03 ppm1     18.004 ppm2      0.581 CV     1
 ASSI {  908}
   (  segid "    " and resid 33   and name HD1%)
   (  segid "    " and resid 30   and name HB% )
      3.900     1.900     1.900 peak   908 spectrum    1 weight  0.10000E+01 volume  0.10576E-02 ppm1     18.004 ppm2      0.793 CV     1
 OR {  908}
   (  segid "    " and resid 33   and name HD2%)
   (  segid "    " and resid 30   and name HB% )
 ASSI {  910}
   (( segid "    " and resid 31   and name HB1 ))
   (  segid "    " and resid 30   and name HB% )
      6.000     4.800     0.000 peak   910 spectrum    1 weight  0.10000E+01 volume  0.88480E-04 ppm1     18.004 ppm2      1.870 CV     1
 ASSI {  913}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 30   and name HB% )
      4.200     2.200     1.800 peak   913 spectrum    1 weight  0.10000E+01 volume  0.61515E-03 ppm1     18.004 ppm2      7.976 CV     1
 ASSI {  914}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 30   and name HB% )
      6.000     4.800     0.000 peak   914 spectrum    1 weight  0.10000E+01 volume  0.92695E-04 ppm1     18.004 ppm2      8.294 CV     1
 ASSI {  915}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 30   and name HB% )
      3.200     1.300     1.300 peak   915 spectrum    1 weight  0.10000E+01 volume  0.11208E-02 ppm1     18.004 ppm2      3.962 CV     1
 ASSI {  916}
   (  segid "    " and resid 35   and name HB% )
   (( segid "    " and resid 31   and name HA  ))
      2.700     2.700     3.300 peak   916 spectrum    1 weight  0.10000E+01 volume  0.15042E-02 ppm1     59.359 ppm2      1.510 CV     1
 ASSI {  918}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HA  ))
      2.800     1.000     1.000 peak   918 spectrum    1 weight  0.10000E+01 volume  0.25154E-02 ppm1     59.359 ppm2      1.852 CV     1
 ASSI {  919}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HA  ))
      3.100     1.200     1.200 peak   919 spectrum    1 weight  0.10000E+01 volume  0.12893E-02 ppm1     59.359 ppm2      2.050 CV     1
 ASSI {  920}
   (( segid "    " and resid 31   and name HD2 ))
   (( segid "    " and resid 31   and name HA  ))
      3.600     1.600     1.600 peak   920 spectrum    1 weight  0.10000E+01 volume  0.14957E-02 ppm1     59.359 ppm2      1.600 CV     1
 OR {  920}
   (( segid "    " and resid 31   and name HD1 ))
   (( segid "    " and resid 31   and name HA  ))
 ASSI {  922}
   (( segid "    " and resid 32   and name HG2 ))
   (( segid "    " and resid 31   and name HA  ))
      4.800     2.900     1.200 peak   922 spectrum    1 weight  0.10000E+01 volume  0.31179E-03 ppm1     59.359 ppm2      2.486 CV     1
 ASSI {  923}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.500     1.500     1.500 peak   923 spectrum    1 weight  0.10000E+01 volume  0.79210E-03 ppm1     59.359 ppm2      8.104 CV     1
 ASSI {  924}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 31   and name HA  ))
      2.900     1.100     1.100 peak   924 spectrum    1 weight  0.10000E+01 volume  0.15295E-02 ppm1     59.359 ppm2      2.277 CV     1
 OR {  924}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 31   and name HA  ))
 ASSI {  925}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 31   and name HB1 ))
      3.800     3.800     2.200 peak   925 spectrum    1 weight  0.10000E+01 volume  0.94382E-03 ppm1     32.697 ppm2      0.841 CV     1
 ASSI {  926}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 31   and name HB1 ))
      3.300     3.300     2.700 peak   926 spectrum    1 weight  0.10000E+01 volume  0.20814E-02 ppm1     32.697 ppm2      3.983 CV     1
 ASSI {  928}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      3.600     1.600     1.600 peak   928 spectrum    1 weight  0.10000E+01 volume  0.52667E-03 ppm1     32.697 ppm2      8.093 CV     1
 ASSI {  930}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.900     1.900     1.900 peak   930 spectrum    1 weight  0.10000E+01 volume  0.48454E-03 ppm1     32.697 ppm2      8.091 CV     1
 ASSI {  933}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HB1 ))
      2.700     0.900     0.900 peak   933 spectrum    1 weight  0.10000E+01 volume  0.11671E-02 ppm1     32.697 ppm2      2.049 CV     1
 ASSI {  934}
   (( segid "    " and resid 31   and name HD2 ))
   (( segid "    " and resid 31   and name HB1 ))
      2.700     0.900     0.900 peak   934 spectrum    1 weight  0.10000E+01 volume  0.40575E-02 ppm1     32.697 ppm2      1.600 CV     1
 OR {  934}
   (( segid "    " and resid 31   and name HD1 ))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI {  942}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HE2 ))
      4.600     2.600     1.400 peak   942 spectrum    1 weight  0.10000E+01 volume  0.39185E-03 ppm1     41.892 ppm2      1.853 CV     1
 OR {  942}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HE1 ))
 ASSI {  943}
   (( segid "    " and resid 31   and name HD1 ))
   (( segid "    " and resid 31   and name HE2 ))
      2.600     0.800     0.800 peak   943 spectrum    1 weight  0.10000E+01 volume  0.43862E-02 ppm1     41.892 ppm2      1.601 CV     1
 OR {  943}
   (( segid "    " and resid 31   and name HD2 ))
   (( segid "    " and resid 31   and name HE1 ))
 OR {  943}
   (( segid "    " and resid 31   and name HD1 ))
   (( segid "    " and resid 31   and name HE1 ))
 OR {  943}
   (( segid "    " and resid 31   and name HD2 ))
   (( segid "    " and resid 31   and name HE2 ))
 ASSI {  944}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 32   and name HA  ))
      2.800     1.000     1.000 peak   944 spectrum    1 weight  0.10000E+01 volume  0.18413E-02 ppm1     58.910 ppm2      2.134 CV     1
 ASSI {  945}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HA  ))
      3.300     1.400     1.400 peak   945 spectrum    1 weight  0.10000E+01 volume  0.16348E-02 ppm1     58.910 ppm2      2.247 CV     1
 ASSI {  946}
   (( segid "    " and resid 32   and name HG1 ))
   (( segid "    " and resid 32   and name HA  ))
      3.600     1.600     1.600 peak   946 spectrum    1 weight  0.10000E+01 volume  0.12303E-02 ppm1     58.910 ppm2      2.322 CV     1
 ASSI {  947}
   (( segid "    " and resid 32   and name HG2 ))
   (( segid "    " and resid 32   and name HA  ))
      4.000     2.000     2.000 peak   947 spectrum    1 weight  0.10000E+01 volume  0.51403E-03 ppm1     58.910 ppm2      2.469 CV     1
 ASSI {  950}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 32   and name HB1 ))
      5.200     3.400     0.800 peak   950 spectrum    1 weight  0.10000E+01 volume  0.34971E-03 ppm1     27.891 ppm2      3.940 CV     1
 ASSI {  954}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HB1 ))
      2.200     0.600     0.600 peak   954 spectrum    1 weight  0.10000E+01 volume  0.36572E-02 ppm1     27.891 ppm2      2.247 CV     1
 ASSI {  955}
   (( segid "    " and resid 32   and name HG1 ))
   (( segid "    " and resid 32   and name HB1 ))
      2.700     0.900     0.900 peak   955 spectrum    1 weight  0.10000E+01 volume  0.26081E-02 ppm1     27.891 ppm2      2.323 CV     1
 ASSI {  959}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      4.600     2.600     1.400 peak   959 spectrum    1 weight  0.10000E+01 volume  0.51403E-03 ppm1     27.890 ppm2      8.088 CV     1
 ASSI {  960}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      3.400     1.500     1.500 peak   960 spectrum    1 weight  0.10000E+01 volume  0.49297E-03 ppm1     27.891 ppm2      8.088 CV     1
 ASSI {  961}
   (  segid "    " and resid 28   and name HD2%)
   (( segid "    " and resid 32   and name HG1 ))
      3.100     3.100     2.900 peak   961 spectrum    1 weight  0.10000E+01 volume  0.69940E-03 ppm1     33.700 ppm2      0.821 CV     1
 OR {  961}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 32   and name HG1 ))
 ASSI {  967}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 32   and name HG2 ))
      3.500     1.500     1.500 peak   967 spectrum    1 weight  0.10000E+01 volume  0.15084E-02 ppm1     33.700 ppm2      2.136 CV     1
 ASSI {  968}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HG1 ))
      2.300     0.600     0.600 peak   968 spectrum    1 weight  0.10000E+01 volume  0.11115E-01 ppm1     33.700 ppm2      2.252 CV     1
 ASSI {  969}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HG2 ))
      2.800     1.000     1.000 peak   969 spectrum    1 weight  0.10000E+01 volume  0.18118E-02 ppm1     33.700 ppm2      2.248 CV     1
 ASSI {  971}
   (( segid "    " and resid 32   and name HG2 ))
   (( segid "    " and resid 32   and name HG1 ))
      2.000     0.500     0.500 peak   971 spectrum    1 weight  0.10000E+01 volume  0.65561E-02 ppm1     33.700 ppm2      2.468 CV     1
 ASSI {  972}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HG1 ))
      5.000     3.200     1.000 peak   972 spectrum    1 weight  0.10000E+01 volume  0.34128E-03 ppm1     33.696 ppm2      8.082 CV     1
 ASSI {  973}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HG2 ))
      3.800     1.800     1.800 peak   973 spectrum    1 weight  0.10000E+01 volume  0.27387E-03 ppm1     33.700 ppm2      8.082 CV     1
 ASSI {  975}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HA  ))
      3.100     1.200     1.200 peak   975 spectrum    1 weight  0.10000E+01 volume  0.17402E-02 ppm1     57.982 ppm2      1.838 CV     1
 ASSI {  979}
   (( segid "    " and resid 33   and name HG  ))
   (( segid "    " and resid 33   and name HA  ))
      3.100     1.200     1.200 peak   979 spectrum    1 weight  0.10000E+01 volume  0.14452E-02 ppm1     57.982 ppm2      1.690 CV     1
 ASSI {  982}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 33   and name HB1 ))
      5.100     3.200     0.900 peak   982 spectrum    1 weight  0.10000E+01 volume  0.27387E-03 ppm1     42.590 ppm2      3.972 CV     1
 ASSI {  984}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
      3.400     1.400     1.400 peak   984 spectrum    1 weight  0.10000E+01 volume  0.65731E-03 ppm1     42.590 ppm2      3.973 CV     1
 ASSI {  985}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB1 ))
      3.300     1.300     1.300 peak   985 spectrum    1 weight  0.10000E+01 volume  0.62358E-03 ppm1     42.590 ppm2      4.102 CV     1
 ASSI {  987}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 33   and name HB2 ))
      2.500     0.800     0.800 peak   987 spectrum    1 weight  0.10000E+01 volume  0.13778E-02 ppm1     42.590 ppm2      1.279 CV     1
 ASSI {  989}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HB1 ))
      3.200     1.300     1.300 peak   989 spectrum    1 weight  0.10000E+01 volume  0.12556E-02 ppm1     42.590 ppm2      0.762 CV     1
 ASSI {  990}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HB2 ))
      3.400     1.400     1.400 peak   990 spectrum    1 weight  0.10000E+01 volume  0.10028E-02 ppm1     42.590 ppm2      0.760 CV     1
 ASSI {  996}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 33   and name HD1%)
      3.200     1.300     1.300 peak   996 spectrum    1 weight  0.10000E+01 volume  0.15126E-02 ppm1     24.149 ppm2      4.105 CV     1
 ASSI {  999}
   (  segid "    " and resid 33   and name HD2%)
   (  segid "    " and resid 33   and name HD1%)
      1.400     0.200     0.800 peak   999 spectrum    1 weight  0.10000E+01 volume  0.19676E+00 ppm1     24.149 ppm2      0.842 CV     1
 ASSI { 1000}
   (( segid "    " and resid 33   and name HG  ))
   (  segid "    " and resid 33   and name HD1%)
      2.900     1.000     1.000 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.19466E-02 ppm1     24.149 ppm2      1.689 CV     1
 ASSI { 1001}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 33   and name HD2%)
      3.100     1.200     1.200 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.15843E-02 ppm1     24.149 ppm2      4.105 CV     1
 ASSI { 1002}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 33   and name HD2%)
      3.200     1.300     1.300 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.18118E-02 ppm1     24.149 ppm2      1.840 CV     1
 ASSI { 1003}
   (( segid "    " and resid 33   and name HG  ))
   (  segid "    " and resid 33   and name HD2%)
      2.500     0.800     0.800 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.44325E-02 ppm1     24.149 ppm2      1.689 CV     1
 ASSI { 1006}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 33   and name HG  ))
      3.600     1.600     1.600 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.58145E-03 ppm1     26.893 ppm2      1.279 CV     1
 ASSI { 1007}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HG  ))
      2.700     0.900     0.900 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.25196E-02 ppm1     26.893 ppm2      1.840 CV     1
 ASSI { 1010}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HG  ))
      3.700     1.700     1.700 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.49718E-03 ppm1     26.893 ppm2      8.006 CV     1
 ASSI { 1012}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HA  ))
      3.700     1.700     1.700 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.11882E-02 ppm1     59.886 ppm2      2.273 CV     1
 OR { 1012}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 34   and name HA  ))
 ASSI { 1014}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB1 ))
      2.900     1.100     1.100 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.15168E-02 ppm1     29.940 ppm2      4.125 CV     1
 ASSI { 1015}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HB1 ))
      2.600     0.800     0.800 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.36614E-02 ppm1     29.940 ppm2      2.276 CV     1
 OR { 1015}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 34   and name HB1 ))
 ASSI { 1017}
   (  segid "    " and resid 35   and name HB% )
   (( segid "    " and resid 35   and name HA  ))
      3.100     1.200     1.200 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.15884E-02 ppm1     54.898 ppm2      1.493 CV     1
 ASSI { 1018}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 35   and name HB% )
      5.900     4.400     0.100 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.71627E-04 ppm1     18.216 ppm2      2.040 CV     1
 ASSI { 1020}
   (( segid "    " and resid 32   and name HB2 ))
   (  segid "    " and resid 35   and name HB% )
      5.300     3.500     0.700 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.27808E-03 ppm1     18.216 ppm2      2.258 CV     1
 ASSI { 1023}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HA  ))
      2.800     0.900     0.900 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.26586E-02 ppm1     58.592 ppm2      2.016 CV     1
 ASSI { 1026}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 36   and name HB1 ))
      3.600     3.600     2.400 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.32190E-02 ppm1     30.807 ppm2      2.232 CV     1
 ASSI { 1032}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HG2 ))
      2.900     1.100     1.100 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.24732E-02 ppm1     36.312 ppm2      2.016 CV     1
 OR { 1032}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HG1 ))
 ASSI { 1036}
   (( segid "    " and resid 88   and name HG  ))
   (( segid "    " and resid 37   and name HB  ))
      4.700     2.800     1.300 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.18539E-03 ppm1     72.637 ppm2      1.529 CV     1
 ASSI { 1038}
   (  segid "    " and resid 33   and name HD1%)
   (  segid "    " and resid 37   and name HG2%)
      4.100     2.100     1.900 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.48033E-03 ppm1     21.127 ppm2      0.785 CV     1
 ASSI { 1039}
   (  segid "    " and resid 35   and name HB% )
   (  segid "    " and resid 37   and name HG2%)
      5.100     3.200     0.900 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.42976E-03 ppm1     21.127 ppm2      1.507 CV     1
 ASSI { 1042}
   (( segid "    " and resid 87   and name HA  ))
   (  segid "    " and resid 37   and name HG2%)
      4.000     2.000     2.000 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.56881E-03 ppm1     21.127 ppm2      3.897 CV     1
 ASSI { 1043}
   (( segid "    " and resid 32   and name HB1 ))
   (  segid "    " and resid 37   and name HG2%)
      4.400     2.400     1.600 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.35393E-03 ppm1     21.127 ppm2      2.126 CV     1
 ASSI { 1044}
   (( segid "    " and resid 34   and name HA  ))
   (  segid "    " and resid 37   and name HG2%)
      4.600     2.700     1.400 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.30758E-03 ppm1     21.127 ppm2      4.127 CV     1
 ASSI { 1045}
   (( segid "    " and resid 34   and name HG2 ))
   (  segid "    " and resid 37   and name HG2%)
      6.000     5.100     0.000 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.96910E-04 ppm1     21.127 ppm2      2.286 CV     1
 OR { 1045}
   (( segid "    " and resid 34   and name HG1 ))
   (  segid "    " and resid 37   and name HG2%)
 ASSI { 1059}
   (( segid "    " and resid 41   and name HB  ))
   (( segid "    " and resid 39   and name HA  ))
      4.400     2.400     1.600 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.27387E-03 ppm1     57.784 ppm2      1.565 CV     1
 ASSI { 1062}
   (  segid "    " and resid 88   and name HD2%)
   (( segid "    " and resid 39   and name HB1 ))
      4.500     2.600     1.500 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.27387E-03 ppm1     30.500 ppm2      0.864 CV     1
 ASSI { 1063}
   (  segid "    " and resid 88   and name HD2%)
   (( segid "    " and resid 39   and name HB2 ))
      4.000     2.000     2.000 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.26544E-03 ppm1     30.500 ppm2      0.864 CV     1
 ASSI { 1065}
   (( segid "    " and resid 92   and name HB  ))
   (( segid "    " and resid 39   and name HB2 ))
      5.100     3.200     0.900 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.37920E-04 ppm1     30.500 ppm2      2.121 CV     1
 ASSI { 1066}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 39   and name HB2 ))
      1.800     0.400     0.400 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.12737E-01 ppm1     30.500 ppm2      2.437 CV     1
 ASSI { 1070}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HA  ))
      3.400     1.400     1.400 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.54353E-03 ppm1     54.858 ppm2      1.668 CV     1
 ASSI { 1071}
   (( segid "    " and resid 40   and name HD1 ))
   (( segid "    " and resid 40   and name HA  ))
      4.200     2.200     1.800 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.80474E-03 ppm1     54.858 ppm2      1.523 CV     1
 ASSI { 1072}
   (( segid "    " and resid 40   and name HD2 ))
   (( segid "    " and resid 40   and name HA  ))
      4.300     2.300     1.700 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.67412E-03 ppm1     54.858 ppm2      1.678 CV     1
 ASSI { 1077}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HB2 ))
      2.200     0.600     0.600 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     33.349 ppm2      1.553 CV     1
 ASSI { 1079}
   (( segid "    " and resid 40   and name HD1 ))
   (( segid "    " and resid 40   and name HB1 ))
      2.500     0.800     0.800 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.41207E-02 ppm1     33.349 ppm2      1.523 CV     1
 ASSI { 1080}
   (( segid "    " and resid 40   and name HD1 ))
   (( segid "    " and resid 40   and name HB2 ))
      3.500     1.500     1.500 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.13441E-02 ppm1     33.349 ppm2      1.524 CV     1
 ASSI { 1081}
   (( segid "    " and resid 40   and name HD2 ))
   (( segid "    " and resid 40   and name HB1 ))
      2.700     0.900     0.900 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.37583E-02 ppm1     33.349 ppm2      1.680 CV     1
 ASSI { 1082}
   (( segid "    " and resid 40   and name HD2 ))
   (( segid "    " and resid 40   and name HB2 ))
      1.900     1.900     4.100 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.22104E-01 ppm1     33.349 ppm2      1.679 CV     1
 ASSI { 1088}
   (( segid "    " and resid 40   and name HG2 ))
   (( segid "    " and resid 40   and name HD1 ))
      2.600     0.900     0.900 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.28483E-02 ppm1     28.771 ppm2      1.295 CV     1
 ASSI { 1090}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HE1 ))
      3.300     1.400     1.400 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.31685E-02 ppm1     42.182 ppm2      1.553 CV     1
 OR { 1090}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HE2 ))
 ASSI { 1091}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HE1 ))
      3.800     1.800     1.800 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.14325E-02 ppm1     42.182 ppm2      1.667 CV     1
 OR { 1091}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HE2 ))
 ASSI { 1092}
   (( segid "    " and resid 40   and name HD1 ))
   (( segid "    " and resid 40   and name HE1 ))
      2.800     1.000     1.000 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.25238E-02 ppm1     42.182 ppm2      1.525 CV     1
 OR { 1092}
   (( segid "    " and resid 40   and name HD1 ))
   (( segid "    " and resid 40   and name HE2 ))
 ASSI { 1093}
   (( segid "    " and resid 40   and name HD2 ))
   (( segid "    " and resid 40   and name HE2 ))
      3.000     1.100     1.100 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.16348E-02 ppm1     42.182 ppm2      1.680 CV     1
 OR { 1093}
   (( segid "    " and resid 40   and name HD2 ))
   (( segid "    " and resid 40   and name HE1 ))
 ASSI { 1094}
   (( segid "    " and resid 40   and name HG2 ))
   (( segid "    " and resid 40   and name HE1 ))
      3.600     1.600     1.600 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.88057E-03 ppm1     42.182 ppm2      1.296 CV     1
 OR { 1094}
   (( segid "    " and resid 40   and name HG2 ))
   (( segid "    " and resid 40   and name HE2 ))
 ASSI { 1096}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HG1 ))
      3.400     1.500     1.500 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.13904E-02 ppm1     24.506 ppm2      1.554 CV     1
 ASSI { 1097}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HG2 ))
      2.400     0.700     0.700 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.46221E-02 ppm1     24.506 ppm2      1.552 CV     1
 ASSI { 1098}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HG2 ))
      3.000     1.100     1.100 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.29873E-02 ppm1     24.506 ppm2      1.666 CV     1
 ASSI { 1099}
   (( segid "    " and resid 40   and name HD1 ))
   (( segid "    " and resid 40   and name HG1 ))
      3.400     1.500     1.500 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.13062E-02 ppm1     24.506 ppm2      1.525 CV     1
 ASSI { 1101}
   (( segid "    " and resid 40   and name HG2 ))
   (( segid "    " and resid 40   and name HG1 ))
      2.100     0.500     0.500 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.52710E-02 ppm1     24.506 ppm2      1.293 CV     1
 ASSI { 1104}
   (( segid "    " and resid 41   and name HB  ))
   (( segid "    " and resid 41   and name HA  ))
      3.600     1.600     1.600 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.29494E-03 ppm1     60.023 ppm2      1.569 CV     1
 ASSI { 1105}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 41   and name HA  ))
      4.500     2.500     1.500 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.71627E-03 ppm1     60.023 ppm2      0.579 CV     1
 ASSI { 1106}
   (( segid "    " and resid 41   and name HG11))
   (( segid "    " and resid 41   and name HA  ))
      3.600     1.600     1.600 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.42555E-03 ppm1     60.023 ppm2      0.909 CV     1
 ASSI { 1108}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.200     1.300     1.300 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.60673E-03 ppm1     60.023 ppm2      8.642 CV     1
 ASSI { 1110}
   (( segid "    " and resid 41   and name HG11))
   (( segid "    " and resid 41   and name HB  ))
      3.500     1.600     1.600 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.32021E-03 ppm1     40.279 ppm2      0.918 CV     1
 ASSI { 1114}
   (  segid "    " and resid 43   and name HG1%)
   (  segid "    " and resid 41   and name HD1%)
      3.200     1.300     1.300 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.18792E-02 ppm1     13.629 ppm2      0.780 CV     1
 OR { 1114}
   (  segid "    " and resid 43   and name HG2%)
   (  segid "    " and resid 41   and name HD1%)
 ASSI { 1115}
   (  segid "    " and resid 91   and name HB% )
   (  segid "    " and resid 41   and name HD1%)
      4.000     2.000     2.000 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.60673E-03 ppm1     13.629 ppm2      1.464 CV     1
 ASSI { 1119}
   (( segid "    " and resid 41   and name HB  ))
   (  segid "    " and resid 41   and name HD1%)
      3.200     1.300     1.300 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.12514E-02 ppm1     13.629 ppm2      1.566 CV     1
 ASSI { 1120}
   (( segid "    " and resid 41   and name HG11))
   (  segid "    " and resid 41   and name HD1%)
      2.800     1.000     1.000 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.20435E-02 ppm1     13.629 ppm2      0.927 CV     1
 ASSI { 1121}
   (( segid "    " and resid 41   and name HG12))
   (  segid "    " and resid 41   and name HD1%)
      3.100     1.200     1.200 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.12092E-02 ppm1     13.629 ppm2      1.313 CV     1
 ASSI { 1122}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 41   and name HD1%)
      4.200     2.200     1.800 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.81321E-03 ppm1     13.629 ppm2      1.839 CV     1
 ASSI { 1123}
   (  segid "    " and resid 43   and name HG2%)
   (( segid "    " and resid 41   and name HG11))
      3.800     1.800     1.800 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.98591E-03 ppm1     27.623 ppm2      0.783 CV     1
 ASSI { 1126}
   (( segid "    " and resid 41   and name HB  ))
   (( segid "    " and resid 41   and name HG12))
      3.100     1.200     1.200 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.19297E-02 ppm1     27.629 ppm2      1.570 CV     1
 ASSI { 1129}
   (( segid "    " and resid 41   and name HG11))
   (( segid "    " and resid 41   and name HG12))
      2.500     0.800     0.800 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.16263E-02 ppm1     27.629 ppm2      0.928 CV     1
 ASSI { 1133}
   (  segid "    " and resid 43   and name HG1%)
   (  segid "    " and resid 41   and name HG2%)
      3.100     1.200     1.200 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.21741E-02 ppm1     17.002 ppm2      0.771 CV     1
 OR { 1133}
   (  segid "    " and resid 43   and name HG2%)
   (  segid "    " and resid 41   and name HG2%)
 ASSI { 1136}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 41   and name HG2%)
      5.400     3.700     0.600 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.18539E-03 ppm1     17.002 ppm2      8.673 CV     1
 ASSI { 1139}
   (  segid "    " and resid 41   and name HD1%)
   (  segid "    " and resid 41   and name HG2%)
      2.100     0.600     0.600 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.10112E-01 ppm1     17.002 ppm2      0.573 CV     1
 ASSI { 1140}
   (( segid "    " and resid 41   and name HG11))
   (  segid "    " and resid 41   and name HG2%)
      3.900     1.900     1.900 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.94799E-03 ppm1     17.002 ppm2      0.926 CV     1
 ASSI { 1143}
   (( segid "    " and resid 42   and name HG1 ))
   (( segid "    " and resid 42   and name HA  ))
      4.600     2.700     1.400 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.26966E-03 ppm1     54.027 ppm2      2.153 CV     1
 ASSI { 1144}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 42   and name HA  ))
      5.200     3.400     0.800 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.16854E-03 ppm1     54.027 ppm2      2.413 CV     1
 ASSI { 1146}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.000     3.000     3.000 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.89744E-03 ppm1     54.027 ppm2      8.721 CV     1
 ASSI { 1157}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 42   and name HG1 ))
      3.800     1.800     1.800 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.47611E-03 ppm1     32.000 ppm2      1.711 CV     1
 OR { 1157}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HG1 ))
 ASSI { 1158}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HG2 ))
      3.600     1.600     1.600 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.53931E-03 ppm1     32.000 ppm2      1.709 CV     1
 OR { 1158}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 42   and name HG2 ))
 ASSI { 1159}
   (( segid "    " and resid 42   and name HG1 ))
   (( segid "    " and resid 42   and name HG2 ))
      2.400     0.700     0.700 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.21826E-02 ppm1     32.000 ppm2      2.145 CV     1
 ASSI { 1163}
   (  segid "    " and resid 43   and name HG2%)
   (( segid "    " and resid 43   and name HA  ))
      3.400     1.400     1.400 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.93118E-03 ppm1     62.312 ppm2      0.805 CV     1
 ASSI { 1169}
   (  segid "    " and resid 43   and name HG2%)
   (( segid "    " and resid 43   and name HB  ))
      2.700     0.900     0.900 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.29704E-02 ppm1     31.493 ppm2      0.801 CV     1
 ASSI { 1181}
   (( segid "    " and resid 22   and name HB  ))
   (  segid "    " and resid 43   and name HG2%)
      3.300     1.300     1.300 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.11966E-02 ppm1     22.146 ppm2      1.535 CV     1
 ASSI { 1187}
   (  segid "    " and resid 41   and name HG2%)
   (  segid "    " and resid 43   and name HG1%)
      5.300     3.500     0.700 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.13062E-03 ppm1     22.146 ppm2      0.496 CV     1
 ASSI { 1190}
   (( segid "    " and resid 43   and name HB  ))
   (  segid "    " and resid 43   and name HG1%)
      2.800     1.000     1.000 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.24311E-02 ppm1     22.146 ppm2      1.917 CV     1
 ASSI { 1192}
   (  segid "    " and resid 43   and name HG1%)
   (  segid "    " and resid 43   and name HG2%)
      1.800     0.400     0.400 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.51239E-01 ppm1     22.146 ppm2      0.745 CV     1
 ASSI { 1198}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HA  ))
      2.700     0.900     0.900 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.29831E-02 ppm1     58.597 ppm2      1.868 CV     1
 OR { 1198}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI { 1199}
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 46   and name HA  ))
      3.700     1.700     1.700 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.15126E-02 ppm1     58.597 ppm2      1.674 CV     1
 OR { 1199}
   (( segid "    " and resid 46   and name HD1 ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI { 1200}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 46   and name HA  ))
      3.600     1.600     1.600 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.10323E-02 ppm1     58.597 ppm2      1.447 CV     1
 OR { 1200}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI { 1205}
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 46   and name HB2 ))
      2.600     0.900     0.900 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.49254E-02 ppm1     32.749 ppm2      1.678 CV     1
 OR { 1205}
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 46   and name HB1 ))
 OR { 1205}
   (( segid "    " and resid 46   and name HD1 ))
   (( segid "    " and resid 46   and name HB2 ))
 OR { 1205}
   (( segid "    " and resid 46   and name HD1 ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI { 1206}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HB1 ))
      3.000     1.100     1.100 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.16769E-02 ppm1     32.749 ppm2      1.449 CV     1
 OR { 1206}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 46   and name HB2 ))
 OR { 1206}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HB2 ))
 OR { 1206}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI { 1213}
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 46   and name HE1 ))
      2.500     0.800     0.800 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.48833E-02 ppm1     41.907 ppm2      1.677 CV     1
 OR { 1213}
   (( segid "    " and resid 46   and name HD1 ))
   (( segid "    " and resid 46   and name HE1 ))
 OR { 1213}
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 46   and name HE2 ))
 OR { 1213}
   (( segid "    " and resid 46   and name HD1 ))
   (( segid "    " and resid 46   and name HE2 ))
 ASSI { 1214}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 46   and name HE2 ))
      3.100     1.200     1.200 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.21867E-02 ppm1     41.907 ppm2      1.450 CV     1
 OR { 1214}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 46   and name HE1 ))
 OR { 1214}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HE2 ))
 OR { 1214}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HE1 ))
 ASSI { 1218}
   (( segid "    " and resid 46   and name HD1 ))
   (( segid "    " and resid 46   and name HG2 ))
      2.200     0.600     0.600 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.11743E-01 ppm1     24.702 ppm2      1.677 CV     1
 OR { 1218}
   (( segid "    " and resid 46   and name HD1 ))
   (( segid "    " and resid 46   and name HG1 ))
 OR { 1218}
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 46   and name HG2 ))
 OR { 1218}
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 46   and name HG1 ))
 ASSI { 1220}
   (( segid "    " and resid 47   and name HA1 ))
   (( segid "    " and resid 47   and name HA2 ))
      3.000     3.000     3.000 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.93959E-03 ppm1     45.031 ppm2      3.791 CV     1
 ASSI { 1222}
   (  segid "    " and resid 71   and name HD2%)
   (( segid "    " and resid 48   and name HA  ))
      3.000     3.000     3.000 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.83001E-03 ppm1     61.013 ppm2      0.766 CV     1
 ASSI { 1225}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.900     3.900     2.100 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.39606E-03 ppm1     61.013 ppm2      8.611 CV     1
 ASSI { 1226}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 48   and name HA  ))
      4.200     2.200     1.800 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.31179E-03 ppm1     61.013 ppm2      1.023 CV     1
 ASSI { 1227}
   (  segid "    " and resid 71   and name HD1%)
   (( segid "    " and resid 48   and name HA  ))
      3.400     1.400     1.400 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.42555E-03 ppm1     61.013 ppm2      0.617 CV     1
 ASSI { 1228}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB1 ))
      4.100     2.100     1.900 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.33286E-03 ppm1     62.830 ppm2      3.645 CV     1
 OR { 1228}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB2 ))
 ASSI { 1230}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 50   and name HA  ))
      3.500     1.500     1.500 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.69940E-03 ppm1     57.128 ppm2      1.906 CV     1
 ASSI { 1231}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 50   and name HA  ))
      4.600     2.600     1.400 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.13062E-03 ppm1     57.128 ppm2      3.148 CV     1
 ASSI { 1232}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 50   and name HA  ))
      3.900     1.900     1.900 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.49718E-03 ppm1     57.128 ppm2      1.560 CV     1
 OR { 1232}
   (( segid "    " and resid 50   and name HG1 ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI { 1237}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HB1 ))
      3.800     1.800     1.800 peak  1237 spectrum    1 weight  0.10000E+01 volume  0.46347E-03 ppm1     28.013 ppm2      3.777 CV     1
 ASSI { 1239}
   (( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 50   and name HB2 ))
      1.900     0.400     0.400 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.11966E-01 ppm1     28.013 ppm2      1.881 CV     1
 ASSI { 1241}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 50   and name HB1 ))
      3.500     1.500     1.500 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.75418E-03 ppm1     28.013 ppm2      1.562 CV     1
 OR { 1241}
   (( segid "    " and resid 50   and name HG1 ))
   (( segid "    " and resid 50   and name HB1 ))
 ASSI { 1242}
   (( segid "    " and resid 50   and name HG1 ))
   (( segid "    " and resid 50   and name HB2 ))
      3.600     1.600     1.600 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.63204E-03 ppm1     28.013 ppm2      1.561 CV     1
 OR { 1242}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 50   and name HB2 ))
 ASSI { 1246}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 50   and name HD2 ))
      6.000     5.300     0.000 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.33707E-04 ppm1     43.402 ppm2      4.101 CV     1
 ASSI { 1247}
   (( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 50   and name HD2 ))
      3.400     1.400     1.400 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.10323E-02 ppm1     43.402 ppm2      1.882 CV     1
 ASSI { 1248}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 50   and name HD1 ))
      4.200     2.200     1.800 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.32864E-03 ppm1     43.402 ppm2      1.906 CV     1
 ASSI { 1249}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 50   and name HD2 ))
      3.400     1.400     1.400 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.99014E-03 ppm1     43.402 ppm2      1.905 CV     1
 ASSI { 1250}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 50   and name HD1 ))
      1.500     0.300     0.700 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.32178E-01 ppm1     43.402 ppm2      3.148 CV     1
 ASSI { 1251}
   (( segid "    " and resid 50   and name HG1 ))
   (( segid "    " and resid 50   and name HD2 ))
      2.700     0.900     0.900 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.41165E-02 ppm1     43.402 ppm2      1.560 CV     1
 OR { 1251}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 50   and name HD2 ))
 ASSI { 1252}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 50   and name HD1 ))
      3.100     1.200     1.200 peak  1252 spectrum    1 weight  0.10000E+01 volume  0.87640E-03 ppm1     43.402 ppm2      1.559 CV     1
 ASSI { 1256}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HA  ))
      3.600     1.600     1.600 peak  1256 spectrum    1 weight  0.10000E+01 volume  0.61515E-03 ppm1     53.834 ppm2      2.536 CV     1
 OR { 1256}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HA  ))
 ASSI { 1259}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 51   and name HB1 ))
      3.800     1.800     1.800 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.47611E-03 ppm1     40.846 ppm2      1.518 CV     1
 OR { 1259}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 51   and name HB2 ))
 OR { 1259}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 1261}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HA  ))
      3.200     1.300     1.300 peak  1261 spectrum    1 weight  0.10000E+01 volume  0.11966E-02 ppm1     59.645 ppm2      1.757 CV     1
 OR { 1261}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HA  ))
 ASSI { 1262}
   (( segid "    " and resid 52   and name HD2 ))
   (( segid "    " and resid 52   and name HA  ))
      3.700     1.700     1.700 peak  1262 spectrum    1 weight  0.10000E+01 volume  0.88057E-03 ppm1     59.645 ppm2      1.638 CV     1
 OR { 1262}
   (( segid "    " and resid 52   and name HD1 ))
   (( segid "    " and resid 52   and name HA  ))
 ASSI { 1263}
   (( segid "    " and resid 52   and name HG1 ))
   (( segid "    " and resid 52   and name HA  ))
      3.500     1.500     1.500 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.70363E-03 ppm1     59.645 ppm2      1.411 CV     1
 OR { 1263}
   (( segid "    " and resid 52   and name HG2 ))
   (( segid "    " and resid 52   and name HA  ))
 ASSI { 1268}
   (( segid "    " and resid 52   and name HD1 ))
   (( segid "    " and resid 52   and name HB2 ))
      2.200     0.600     0.600 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.13879E-01 ppm1     32.627 ppm2      1.638 CV     1
 OR { 1268}
   (( segid "    " and resid 52   and name HD1 ))
   (( segid "    " and resid 52   and name HB1 ))
 OR { 1268}
   (( segid "    " and resid 52   and name HD2 ))
   (( segid "    " and resid 52   and name HB1 ))
 OR { 1268}
   (( segid "    " and resid 52   and name HD2 ))
   (( segid "    " and resid 52   and name HB2 ))
 ASSI { 1273}
   (( segid "    " and resid 52   and name HE1 ))
   (( segid "    " and resid 52   and name HD1 ))
      2.600     0.800     0.800 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.43819E-02 ppm1     29.488 ppm2      2.889 CV     1
 OR { 1273}
   (( segid "    " and resid 52   and name HE2 ))
   (( segid "    " and resid 52   and name HD2 ))
 OR { 1273}
   (( segid "    " and resid 52   and name HE2 ))
   (( segid "    " and resid 52   and name HD1 ))
 OR { 1273}
   (( segid "    " and resid 52   and name HE1 ))
   (( segid "    " and resid 52   and name HD2 ))
 ASSI { 1274}
   (( segid "    " and resid 52   and name HG2 ))
   (( segid "    " and resid 52   and name HD2 ))
      2.100     0.500     0.500 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.15067E-01 ppm1     29.488 ppm2      1.412 CV     1
 OR { 1274}
   (( segid "    " and resid 52   and name HG1 ))
   (( segid "    " and resid 52   and name HD1 ))
 OR { 1274}
   (( segid "    " and resid 52   and name HG2 ))
   (( segid "    " and resid 52   and name HD1 ))
 OR { 1274}
   (( segid "    " and resid 52   and name HG1 ))
   (( segid "    " and resid 52   and name HD2 ))
 ASSI { 1276}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HE2 ))
      5.800     4.200     0.200 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.75842E-04 ppm1     42.159 ppm2      3.905 CV     1
 OR { 1276}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HE1 ))
 ASSI { 1278}
   (( segid "    " and resid 52   and name HG1 ))
   (( segid "    " and resid 52   and name HE2 ))
      3.200     1.300     1.300 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.16895E-02 ppm1     42.159 ppm2      1.408 CV     1
 OR { 1278}
   (( segid "    " and resid 52   and name HG2 ))
   (( segid "    " and resid 52   and name HE2 ))
 OR { 1278}
   (( segid "    " and resid 52   and name HG1 ))
   (( segid "    " and resid 52   and name HE1 ))
 OR { 1278}
   (( segid "    " and resid 52   and name HG2 ))
   (( segid "    " and resid 52   and name HE1 ))
 ASSI { 1279}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HG2 ))
      2.700     0.900     0.900 peak  1279 spectrum    1 weight  0.10000E+01 volume  0.31390E-02 ppm1     24.727 ppm2      1.757 CV     1
 OR { 1279}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HG1 ))
 OR { 1279}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HG2 ))
 OR { 1279}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HG1 ))
 ASSI { 1282}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HA  ))
      2.700     0.900     0.900 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.25491E-02 ppm1     58.833 ppm2      1.775 CV     1
 OR { 1282}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HA  ))
 ASSI { 1283}
   (( segid "    " and resid 53   and name HD1 ))
   (( segid "    " and resid 53   and name HA  ))
      4.200     2.200     1.800 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.12219E-02 ppm1     58.833 ppm2      1.605 CV     1
 OR { 1283}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 53   and name HA  ))
 ASSI { 1284}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HA  ))
      4.300     2.300     1.700 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.48033E-03 ppm1     58.833 ppm2      1.292 CV     1
 ASSI { 1285}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HA  ))
      3.900     1.900     1.900 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.91854E-03 ppm1     58.833 ppm2      1.410 CV     1
 ASSI { 1291}
   (( segid "    " and resid 53   and name HD1 ))
   (( segid "    " and resid 53   and name HB1 ))
      2.800     1.000     1.000 peak  1291 spectrum    1 weight  0.10000E+01 volume  0.27303E-02 ppm1     31.642 ppm2      1.606 CV     1
 OR { 1291}
   (( segid "    " and resid 53   and name HD1 ))
   (( segid "    " and resid 53   and name HB2 ))
 OR { 1291}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 53   and name HB1 ))
 OR { 1291}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 53   and name HB2 ))
 ASSI { 1299}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HD2 ))
      2.000     0.500     0.500 peak  1299 spectrum    1 weight  0.10000E+01 volume  0.12299E-01 ppm1     29.090 ppm2      1.407 CV     1
 OR { 1299}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HD1 ))
 ASSI { 1300}
   (( segid "    " and resid 53   and name HD1 ))
   (( segid "    " and resid 53   and name HE1 ))
      2.400     0.700     0.700 peak  1300 spectrum    1 weight  0.10000E+01 volume  0.62864E-02 ppm1     42.008 ppm2      1.606 CV     1
 OR { 1300}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 53   and name HE2 ))
 OR { 1300}
   (( segid "    " and resid 53   and name HD1 ))
   (( segid "    " and resid 53   and name HE2 ))
 OR { 1300}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 53   and name HE1 ))
 ASSI { 1301}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HE1 ))
      3.300     1.400     1.400 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.90591E-03 ppm1     42.008 ppm2      1.293 CV     1
 OR { 1301}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HE2 ))
 ASSI { 1302}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HE2 ))
      3.000     1.100     1.100 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.18075E-02 ppm1     42.008 ppm2      1.408 CV     1
 OR { 1302}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HE1 ))
 ASSI { 1305}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HG1 ))
      2.900     1.100     1.100 peak  1305 spectrum    1 weight  0.10000E+01 volume  0.13778E-02 ppm1     24.752 ppm2      1.773 CV     1
 OR { 1305}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HG1 ))
 ASSI { 1306}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HG2 ))
      2.500     0.800     0.800 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.40238E-02 ppm1     24.752 ppm2      1.773 CV     1
 OR { 1306}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI { 1307}
   (( segid "    " and resid 53   and name HD1 ))
   (( segid "    " and resid 53   and name HG1 ))
      2.200     0.600     0.600 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.73441E-02 ppm1     24.752 ppm2      1.607 CV     1
 OR { 1307}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 53   and name HG1 ))
 ASSI { 1310}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HG2 ))
      1.600     0.300     0.600 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.11313E-01 ppm1     24.752 ppm2      1.292 CV     1
 ASSI { 1312}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HA  ))
      3.200     1.300     1.300 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.80897E-03 ppm1     58.747 ppm2      1.483 CV     1
 ASSI { 1313}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HA  ))
      3.200     1.300     1.300 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.97327E-03 ppm1     58.747 ppm2      1.543 CV     1
 ASSI { 1314}
   (( segid "    " and resid 54   and name HD1 ))
   (( segid "    " and resid 54   and name HA  ))
      3.500     1.500     1.500 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.98174E-03 ppm1     58.747 ppm2      1.602 CV     1
 OR { 1314}
   (( segid "    " and resid 54   and name HD2 ))
   (( segid "    " and resid 54   and name HA  ))
 ASSI { 1316}
   (( segid "    " and resid 54   and name HG2 ))
   (( segid "    " and resid 54   and name HA  ))
      5.200     3.400     0.800 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.20224E-03 ppm1     58.747 ppm2      1.282 CV     1
 ASSI { 1319}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HB2 ))
      2.200     0.600     0.600 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.27303E-02 ppm1     32.463 ppm2      1.483 CV     1
 ASSI { 1321}
   (( segid "    " and resid 54   and name HD2 ))
   (( segid "    " and resid 54   and name HB1 ))
      3.200     1.300     1.300 peak  1321 spectrum    1 weight  0.10000E+01 volume  0.30083E-02 ppm1     32.463 ppm2      1.600 CV     1
 OR { 1321}
   (( segid "    " and resid 54   and name HD1 ))
   (( segid "    " and resid 54   and name HB1 ))
 ASSI { 1327}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 54   and name HD2 ))
      5.200     3.300     0.800 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.33707E-04 ppm1     29.439 ppm2      2.623 CV     1
 OR { 1327}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 54   and name HD1 ))
 ASSI { 1329}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HD1 ))
      1.500     0.300     0.700 peak  1329 spectrum    1 weight  0.10000E+01 volume  0.68082E-01 ppm1     29.439 ppm2      1.544 CV     1
 OR { 1329}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HD2 ))
 ASSI { 1331}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HD2 ))
      4.900     3.000     1.100 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.15168E-03 ppm1     29.439 ppm2      7.889 CV     1
 ASSI { 1332}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HE2 ))
      3.600     1.600     1.600 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.28904E-02 ppm1     41.988 ppm2      1.482 CV     1
 OR { 1332}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HE1 ))
 ASSI { 1333}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HE2 ))
      3.200     1.300     1.300 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.32780E-02 ppm1     41.988 ppm2      1.546 CV     1
 OR { 1333}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HE1 ))
 ASSI { 1334}
   (( segid "    " and resid 54   and name HD2 ))
   (( segid "    " and resid 54   and name HE1 ))
      2.500     0.800     0.800 peak  1334 spectrum    1 weight  0.10000E+01 volume  0.41712E-02 ppm1     41.988 ppm2      1.598 CV     1
 OR { 1334}
   (( segid "    " and resid 54   and name HD1 ))
   (( segid "    " and resid 54   and name HE1 ))
 OR { 1334}
   (( segid "    " and resid 54   and name HD2 ))
   (( segid "    " and resid 54   and name HE2 ))
 OR { 1334}
   (( segid "    " and resid 54   and name HD1 ))
   (( segid "    " and resid 54   and name HE2 ))
 ASSI { 1335}
   (( segid "    " and resid 54   and name HG1 ))
   (( segid "    " and resid 54   and name HE2 ))
      4.000     2.000     2.000 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.30758E-03 ppm1     41.988 ppm2      1.149 CV     1
 OR { 1335}
   (( segid "    " and resid 54   and name HG1 ))
   (( segid "    " and resid 54   and name HE1 ))
 ASSI { 1336}
   (( segid "    " and resid 54   and name HG2 ))
   (( segid "    " and resid 54   and name HE2 ))
      3.500     1.500     1.500 peak  1336 spectrum    1 weight  0.10000E+01 volume  0.99014E-03 ppm1     41.988 ppm2      1.281 CV     1
 OR { 1336}
   (( segid "    " and resid 54   and name HG2 ))
   (( segid "    " and resid 54   and name HE1 ))
 ASSI { 1341}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HG1 ))
      3.100     1.200     1.200 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.13904E-02 ppm1     25.534 ppm2      1.483 CV     1
 ASSI { 1342}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HG2 ))
      2.300     0.700     0.700 peak  1342 spectrum    1 weight  0.10000E+01 volume  0.38426E-02 ppm1     25.534 ppm2      1.484 CV     1
 ASSI { 1343}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HG1 ))
      3.100     1.200     1.200 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.15800E-02 ppm1     25.534 ppm2      1.545 CV     1
 ASSI { 1344}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HG2 ))
      2.600     0.900     0.900 peak  1344 spectrum    1 weight  0.10000E+01 volume  0.36361E-02 ppm1     25.534 ppm2      1.544 CV     1
 ASSI { 1345}
   (( segid "    " and resid 54   and name HD2 ))
   (( segid "    " and resid 54   and name HG1 ))
      3.100     1.200     1.200 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.12387E-02 ppm1     25.534 ppm2      1.601 CV     1
 OR { 1345}
   (( segid "    " and resid 54   and name HD1 ))
   (( segid "    " and resid 54   and name HG1 ))
 ASSI { 1346}
   (( segid "    " and resid 54   and name HD1 ))
   (( segid "    " and resid 54   and name HG2 ))
      2.400     0.700     0.700 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.50603E-02 ppm1     25.534 ppm2      1.601 CV     1
 OR { 1346}
   (( segid "    " and resid 54   and name HD2 ))
   (( segid "    " and resid 54   and name HG2 ))
 ASSI { 1350}
   (( segid "    " and resid 54   and name HG2 ))
   (( segid "    " and resid 54   and name HG1 ))
      2.200     0.600     0.600 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.31390E-02 ppm1     25.534 ppm2      1.283 CV     1
 ASSI { 1352}
   (  segid "    " and resid 43   and name HG1%)
   (( segid "    " and resid 22   and name HA  ))
      4.500     2.500     1.500 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.42134E-03 ppm1     60.387 ppm2      0.745 CV     1
 OR { 1352}
   (  segid "    " and resid 43   and name HG2%)
   (( segid "    " and resid 22   and name HA  ))
 ASSI { 1354}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HA  ))
      3.700     1.700     1.700 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.10112E-02 ppm1     60.387 ppm2      2.037 CV     1
 ASSI { 1356}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 22   and name HA  ))
      4.600     2.600     1.400 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.45504E-03 ppm1     60.387 ppm2      0.969 CV     1
 OR { 1356}
   (  segid "    " and resid 19   and name HG1%)
   (( segid "    " and resid 22   and name HA  ))
 ASSI { 1362}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HB1 ))
      1.800     0.400     0.400 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.37777E-01 ppm1     29.422 ppm2      2.032 CV     1
 OR { 1362}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HB2 ))
 ASSI { 1366}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HG2 ))
      2.900     1.100     1.100 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.15843E-02 ppm1     38.532 ppm2      2.022 CV     1
 OR { 1366}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HG2 ))
 ASSI { 1367}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HG2 ))
      2.500     0.800     0.800 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.15295E-02 ppm1     38.532 ppm2      2.030 CV     1
 ASSI { 1373}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 56   and name HA  ))
      3.000     1.100     1.100 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.15210E-02 ppm1     58.600 ppm2      1.951 CV     1
 ASSI { 1374}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HA  ))
      3.300     1.400     1.400 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.17907E-02 ppm1     58.600 ppm2      2.047 CV     1
 ASSI { 1375}
   (( segid "    " and resid 56   and name HG1 ))
   (( segid "    " and resid 56   and name HA  ))
      4.000     2.000     2.000 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.71627E-03 ppm1     58.600 ppm2      2.205 CV     1
 ASSI { 1379}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 56   and name HB2 ))
      3.900     1.900     1.900 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.64044E-03 ppm1     29.391 ppm2      3.749 CV     1
 ASSI { 1382}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 56   and name HB2 ))
      1.800     0.400     0.400 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.12813E-01 ppm1     29.391 ppm2      1.952 CV     1
 ASSI { 1384}
   (( segid "    " and resid 56   and name HG1 ))
   (( segid "    " and resid 56   and name HB1 ))
      2.700     0.900     0.900 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.50645E-02 ppm1     29.391 ppm2      2.206 CV     1
 ASSI { 1386}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 56   and name HB1 ))
      2.700     0.900     0.900 peak  1386 spectrum    1 weight  0.10000E+01 volume  0.38215E-02 ppm1     29.391 ppm2      2.315 CV     1
 ASSI { 1387}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 56   and name HB2 ))
      2.800     1.000     1.000 peak  1387 spectrum    1 weight  0.10000E+01 volume  0.41333E-02 ppm1     29.391 ppm2      2.315 CV     1
 ASSI { 1390}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HG2 ))
      3.600     1.600     1.600 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.56459E-03 ppm1     36.275 ppm2      3.815 CV     1
 ASSI { 1393}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HG1 ))
      2.400     0.700     0.700 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.49802E-02 ppm1     36.275 ppm2      2.047 CV     1
 ASSI { 1396}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 56   and name HG1 ))
      1.500     0.300     0.700 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.39943E-01 ppm1     36.275 ppm2      2.315 CV     1
 ASSI { 1399}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 57   and name HA  ))
      3.100     1.200     1.200 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.16222E-02 ppm1     57.701 ppm2      1.897 CV     1
 ASSI { 2001}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 101  and name HD1 ))
      3.300     1.400     1.400 peak  2001 spectrum    1 weight  0.10000E+01 volume  0.98174E-03 ppm1     50.361 ppm2      3.068 CV     1
 ASSI { 2003}
   (( segid "    " and resid 101  and name HB1 ))
   (( segid "    " and resid 101  and name HD1 ))
      3.500     1.600     1.600 peak  2003 spectrum    1 weight  0.10000E+01 volume  0.55617E-03 ppm1     50.361 ppm2      0.881 CV     1
 ASSI { 2004}
   (( segid "    " and resid 101  and name HB1 ))
   (( segid "    " and resid 101  and name HD2 ))
      4.800     2.900     1.200 peak  2004 spectrum    1 weight  0.10000E+01 volume  0.35393E-03 ppm1     50.361 ppm2      0.881 CV     1
 ASSI { 2006}
   (( segid "    " and resid 101  and name HD2 ))
   (( segid "    " and resid 101  and name HD1 ))
      2.700     0.900     0.900 peak  2006 spectrum    1 weight  0.10000E+01 volume  0.98174E-03 ppm1     50.361 ppm2      3.061 CV     1
 ASSI { 2018}
   (( segid "    " and resid 104  and name HB1 ))
   (( segid "    " and resid 104  and name HA  ))
      3.500     1.600     1.600 peak  2018 spectrum    1 weight  0.10000E+01 volume  0.73314E-03 ppm1     56.572 ppm2      1.914 CV     1
 OR { 2018}
   (( segid "    " and resid 104  and name HB2 ))
   (( segid "    " and resid 104  and name HA  ))
 ASSI { 2019}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 104  and name HA  ))
      4.100     2.100     1.900 peak  2019 spectrum    1 weight  0.10000E+01 volume  0.41291E-03 ppm1     56.572 ppm2      2.173 CV     1
 OR { 2019}
   (( segid "    " and resid 104  and name HG1 ))
   (( segid "    " and resid 104  and name HA  ))
 ASSI { 2021}
   (( segid "    " and resid 104  and name HG1 ))
   (( segid "    " and resid 104  and name HB2 ))
      2.600     0.800     0.800 peak  2021 spectrum    1 weight  0.10000E+01 volume  0.51572E-02 ppm1     30.350 ppm2      2.167 CV     1
 OR { 2021}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 104  and name HB1 ))
 OR { 2021}
   (( segid "    " and resid 104  and name HG1 ))
   (( segid "    " and resid 104  and name HB1 ))
 OR { 2021}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 104  and name HB2 ))
 ASSI { 2025}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HB1 ))
      3.400     1.400     1.400 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.96486E-03 ppm1     30.436 ppm2      4.161 CV     1
 OR { 2025}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HB2 ))
 ASSI { 2027}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HG2 ))
      3.700     1.700     1.700 peak  2027 spectrum    1 weight  0.10000E+01 volume  0.76682E-03 ppm1     36.243 ppm2      4.162 CV     1
 OR { 2027}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HG1 ))
 ASSI { 2028}
   (( segid "    " and resid 106  and name HB2 ))
   (( segid "    " and resid 106  and name HG1 ))
      2.400     0.700     0.700 peak  2028 spectrum    1 weight  0.10000E+01 volume  0.73396E-02 ppm1     36.243 ppm2      1.940 CV     1
 OR { 2028}
   (( segid "    " and resid 106  and name HB1 ))
   (( segid "    " and resid 106  and name HG2 ))
 OR { 2028}
   (( segid "    " and resid 106  and name HB2 ))
   (( segid "    " and resid 106  and name HG2 ))
 OR { 2028}
   (( segid "    " and resid 106  and name HB1 ))
   (( segid "    " and resid 106  and name HG1 ))
 ASSI { 2035}
   (( segid "    " and resid 109  and name HB2 ))
   (( segid "    " and resid 109  and name HA  ))
      3.300     1.300     1.300 peak  2035 spectrum    1 weight  0.10000E+01 volume  0.18286E-02 ppm1     56.994 ppm2      1.705 CV     1
 ASSI { 2036}
   (  segid "    " and resid 109  and name HD1%)
   (( segid "    " and resid 109  and name HA  ))
      3.800     1.800     1.800 peak  2036 spectrum    1 weight  0.10000E+01 volume  0.19803E-02 ppm1     56.994 ppm2      0.792 CV     1
 ASSI { 2037}
   (  segid "    " and resid 109  and name HD2%)
   (( segid "    " and resid 109  and name HA  ))
      3.100     1.200     1.200 peak  2037 spectrum    1 weight  0.10000E+01 volume  0.22078E-02 ppm1     56.994 ppm2      0.847 CV     1
 ASSI { 2038}
   (( segid "    " and resid 109  and name HG  ))
   (( segid "    " and resid 109  and name HA  ))
      3.300     1.400     1.400 peak  2038 spectrum    1 weight  0.10000E+01 volume  0.16811E-02 ppm1     56.994 ppm2      1.558 CV     1
 ASSI { 2042}
   (( segid "    " and resid 109  and name HG  ))
   (( segid "    " and resid 109  and name HB2 ))
      2.300     0.600     0.600 peak  2042 spectrum    1 weight  0.10000E+01 volume  0.76600E-02 ppm1     41.869 ppm2      1.558 CV     1
 ASSI { 2044}
   (( segid "    " and resid 109  and name HB2 ))
   (  segid "    " and resid 109  and name HD1%)
      2.900     1.000     1.000 peak  2044 spectrum    1 weight  0.10000E+01 volume  0.21278E-02 ppm1     24.031 ppm2      1.703 CV     1
 ASSI { 2045}
   (  segid "    " and resid 109  and name HD2%)
   (  segid "    " and resid 109  and name HD1%)
      1.400     0.200     0.800 peak  2045 spectrum    1 weight  0.10000E+01 volume  0.25514E+00 ppm1     24.031 ppm2      0.848 CV     1
 ASSI { 2046}
   (( segid "    " and resid 109  and name HG  ))
   (  segid "    " and resid 109  and name HD1%)
      2.700     0.900     0.900 peak  2046 spectrum    1 weight  0.10000E+01 volume  0.27134E-02 ppm1     24.031 ppm2      1.557 CV     1
 ASSI { 2048}
   (( segid "    " and resid 109  and name HB2 ))
   (  segid "    " and resid 109  and name HD2%)
      3.600     1.600     1.600 peak  2048 spectrum    1 weight  0.10000E+01 volume  0.21025E-02 ppm1     24.031 ppm2      1.703 CV     1
 ASSI { 2050}
   (( segid "    " and resid 109  and name HG  ))
   (  segid "    " and resid 109  and name HD2%)
      2.800     0.900     0.900 peak  2050 spectrum    1 weight  0.10000E+01 volume  0.23890E-02 ppm1     24.031 ppm2      1.557 CV     1
 ASSI { 2053}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 111  and name HA  ))
      4.500     2.600     1.500 peak  2053 spectrum    1 weight  0.10000E+01 volume  0.49297E-03 ppm1     58.417 ppm2      8.017 CV     1
 ASSI { 2054}
   (( segid "    " and resid 111  and name HB1 ))
   (( segid "    " and resid 111  and name HA  ))
      2.800     1.000     1.000 peak  2054 spectrum    1 weight  0.10000E+01 volume  0.31095E-02 ppm1     58.417 ppm2      1.773 CV     1
 OR { 2054}
   (( segid "    " and resid 111  and name HB2 ))
   (( segid "    " and resid 111  and name HA  ))
 ASSI { 2055}
   (( segid "    " and resid 111  and name HD1 ))
   (( segid "    " and resid 111  and name HA  ))
      3.400     1.500     1.500 peak  2055 spectrum    1 weight  0.10000E+01 volume  0.16938E-02 ppm1     58.417 ppm2      1.637 CV     1
 OR { 2055}
   (( segid "    " and resid 111  and name HD2 ))
   (( segid "    " and resid 111  and name HA  ))
 ASSI { 2056}
   (( segid "    " and resid 111  and name HG1 ))
   (( segid "    " and resid 111  and name HA  ))
      3.300     1.300     1.300 peak  2056 spectrum    1 weight  0.10000E+01 volume  0.13272E-02 ppm1     58.417 ppm2      1.433 CV     1
 OR { 2056}
   (( segid "    " and resid 111  and name HG2 ))
   (( segid "    " and resid 111  and name HA  ))
 ASSI { 2058}
   (( segid "    " and resid 111  and name HD2 ))
   (( segid "    " and resid 111  and name HB2 ))
      2.400     0.700     0.700 peak  2058 spectrum    1 weight  0.10000E+01 volume  0.72847E-02 ppm1     32.496 ppm2      1.638 CV     1
 OR { 2058}
   (( segid "    " and resid 111  and name HD1 ))
   (( segid "    " and resid 111  and name HB1 ))
 OR { 2058}
   (( segid "    " and resid 111  and name HD1 ))
   (( segid "    " and resid 111  and name HB2 ))
 OR { 2058}
   (( segid "    " and resid 111  and name HD2 ))
   (( segid "    " and resid 111  and name HB1 ))
 ASSI { 1400}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HA  ))
      3.300     1.300     1.300 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.11081E-02 ppm1     57.701 ppm2      1.955 CV     1
 ASSI { 1401}
   (( segid "    " and resid 57   and name HG1 ))
   (( segid "    " and resid 57   and name HA  ))
      4.500     2.500     1.500 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.43398E-03 ppm1     57.701 ppm2      2.255 CV     1
 ASSI { 1404}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 57   and name HB1 ))
      4.200     2.200     1.800 peak  1404 spectrum    1 weight  0.10000E+01 volume  0.52246E-03 ppm1     28.512 ppm2      3.795 CV     1
 ASSI { 2061}
   (( segid "    " and resid 111  and name HG2 ))
   (( segid "    " and resid 111  and name HD2 ))
      2.200     0.600     0.600 peak  2061 spectrum    1 weight  0.10000E+01 volume  0.12084E-01 ppm1     28.888 ppm2      1.433 CV     1
 OR { 2061}
   (( segid "    " and resid 111  and name HG1 ))
   (( segid "    " and resid 111  and name HD1 ))
 OR { 2061}
   (( segid "    " and resid 111  and name HG2 ))
   (( segid "    " and resid 111  and name HD1 ))
 OR { 2061}
   (( segid "    " and resid 111  and name HG1 ))
   (( segid "    " and resid 111  and name HD2 ))
 ASSI { 1406}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 57   and name HB2 ))
      2.000     0.500     0.500 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.91096E-02 ppm1     28.512 ppm2      1.895 CV     1
 ASSI { 2062}
   (( segid "    " and resid 111  and name HB2 ))
   (( segid "    " and resid 111  and name HE1 ))
      3.700     1.700     1.700 peak  2062 spectrum    1 weight  0.10000E+01 volume  0.11376E-02 ppm1     41.904 ppm2      1.773 CV     1
 OR { 2062}
   (( segid "    " and resid 111  and name HB1 ))
   (( segid "    " and resid 111  and name HE1 ))
 OR { 2062}
   (( segid "    " and resid 111  and name HB2 ))
   (( segid "    " and resid 111  and name HE2 ))
 OR { 2062}
   (( segid "    " and resid 111  and name HB1 ))
   (( segid "    " and resid 111  and name HE2 ))
 ASSI { 2063}
   (( segid "    " and resid 111  and name HD2 ))
   (( segid "    " and resid 111  and name HE1 ))
      2.400     0.700     0.700 peak  2063 spectrum    1 weight  0.10000E+01 volume  0.68088E-02 ppm1     41.904 ppm2      1.638 CV     1
 OR { 2063}
   (( segid "    " and resid 111  and name HD1 ))
   (( segid "    " and resid 111  and name HE1 ))
 OR { 2063}
   (( segid "    " and resid 111  and name HD2 ))
   (( segid "    " and resid 111  and name HE2 ))
 OR { 2063}
   (( segid "    " and resid 111  and name HD1 ))
   (( segid "    " and resid 111  and name HE2 ))
 ASSI { 2064}
   (( segid "    " and resid 111  and name HG2 ))
   (( segid "    " and resid 111  and name HE2 ))
      2.900     1.100     1.100 peak  2064 spectrum    1 weight  0.10000E+01 volume  0.29030E-02 ppm1     41.904 ppm2      1.436 CV     1
 OR { 2064}
   (( segid "    " and resid 111  and name HG1 ))
   (( segid "    " and resid 111  and name HE2 ))
 OR { 2064}
   (( segid "    " and resid 111  and name HG2 ))
   (( segid "    " and resid 111  and name HE1 ))
 OR { 2064}
   (( segid "    " and resid 111  and name HG1 ))
   (( segid "    " and resid 111  and name HE1 ))
 ASSI { 1409}
   (( segid "    " and resid 57   and name HG1 ))
   (( segid "    " and resid 57   and name HB2 ))
      3.000     1.100     1.100 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.16559E-02 ppm1     28.512 ppm2      2.256 CV     1
 ASSI { 2066}
   (( segid "    " and resid 111  and name HB1 ))
   (( segid "    " and resid 111  and name HG1 ))
      2.600     0.800     0.800 peak  2066 spectrum    1 weight  0.10000E+01 volume  0.43271E-02 ppm1     25.025 ppm2      1.771 CV     1
 OR { 2066}
   (( segid "    " and resid 111  and name HB2 ))
   (( segid "    " and resid 111  and name HG2 ))
 OR { 2066}
   (( segid "    " and resid 111  and name HB2 ))
   (( segid "    " and resid 111  and name HG1 ))
 OR { 2066}
   (( segid "    " and resid 111  and name HB1 ))
   (( segid "    " and resid 111  and name HG2 ))
 ASSI { 1410}
   (( segid "    " and resid 57   and name HG2 ))
   (( segid "    " and resid 57   and name HB2 ))
      3.400     1.400     1.400 peak  1410 spectrum    1 weight  0.10000E+01 volume  0.10070E-02 ppm1     28.512 ppm2      2.387 CV     1
 ASSI { 1413}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HG2 ))
      4.900     3.000     1.100 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.22753E-03 ppm1     33.949 ppm2      3.927 CV     1
 ASSI { 1414}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 57   and name HG1 ))
      3.400     1.400     1.400 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.10576E-02 ppm1     33.949 ppm2      1.898 CV     1
 ASSI { 1415}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 57   and name HG2 ))
      3.500     1.500     1.500 peak  1415 spectrum    1 weight  0.10000E+01 volume  0.74995E-03 ppm1     33.949 ppm2      1.899 CV     1
 ASSI { 2071}
   (( segid "    " and resid 112  and name HB1 ))
   (( segid "    " and resid 112  and name HA  ))
      3.400     1.400     1.400 peak  2071 spectrum    1 weight  0.10000E+01 volume  0.72891E-03 ppm1     57.395 ppm2      2.042 CV     1
 OR { 2071}
   (( segid "    " and resid 112  and name HB2 ))
   (( segid "    " and resid 112  and name HA  ))
 ASSI { 2072}
   (  segid "    " and resid 112  and name HE% )
   (( segid "    " and resid 112  and name HA  ))
      4.000     2.000     2.000 peak  2072 spectrum    1 weight  0.10000E+01 volume  0.86793E-03 ppm1     57.395 ppm2      2.101 CV     1
 ASSI { 2074}
   (  segid "    " and resid 112  and name HE% )
   (( segid "    " and resid 112  and name HB1 ))
      1.900     0.500     0.500 peak  2074 spectrum    1 weight  0.10000E+01 volume  0.29456E-01 ppm1     32.647 ppm2      2.098 CV     1
 OR { 2074}
   (  segid "    " and resid 112  and name HE% )
   (( segid "    " and resid 112  and name HB2 ))
 ASSI { 1419}
   (( segid "    " and resid 57   and name HG2 ))
   (( segid "    " and resid 57   and name HG1 ))
      1.800     0.400     0.400 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.13537E-01 ppm1     33.949 ppm2      2.383 CV     1
 ASSI { 2075}
   (( segid "    " and resid 112  and name HG2 ))
   (( segid "    " and resid 112  and name HB1 ))
      2.900     1.100     1.100 peak  2075 spectrum    1 weight  0.10000E+01 volume  0.17022E-02 ppm1     32.647 ppm2      2.598 CV     1
 OR { 2075}
   (( segid "    " and resid 112  and name HG2 ))
   (( segid "    " and resid 112  and name HB2 ))
 ASSI { 2078}
   (  segid "    " and resid 112  and name HE% )
   (( segid "    " and resid 112  and name HG2 ))
      3.200     1.300     1.300 peak  2078 spectrum    1 weight  0.10000E+01 volume  0.13146E-02 ppm1     32.833 ppm2      2.094 CV     1
 ASSI { 1424}
   (( segid "    " and resid 58   and name HB1 ))
   (( segid "    " and resid 58   and name HA  ))
      3.800     1.800     1.800 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.48033E-03 ppm1     53.126 ppm2      1.641 CV     1
 ASSI { 2080}
   (( segid "    " and resid 113  and name HD2 ))
   (( segid "    " and resid 113  and name HA  ))
      3.000     1.200     1.200 peak  2080 spectrum    1 weight  0.10000E+01 volume  0.18708E-02 ppm1     57.732 ppm2      1.640 CV     1
 OR { 2080}
   (( segid "    " and resid 113  and name HD1 ))
   (( segid "    " and resid 113  and name HA  ))
 ASSI { 2081}
   (( segid "    " and resid 113  and name HG2 ))
   (( segid "    " and resid 113  and name HA  ))
      3.400     1.400     1.400 peak  2081 spectrum    1 weight  0.10000E+01 volume  0.10871E-02 ppm1     57.732 ppm2      1.424 CV     1
 OR { 2081}
   (( segid "    " and resid 113  and name HG1 ))
   (( segid "    " and resid 113  and name HA  ))
 ASSI { 1426}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 58   and name HB1 ))
      3.000     3.000     3.000 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.67412E-03 ppm1     38.668 ppm2      1.744 CV     1
 ASSI { 1427}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HB2 ))
      4.900     3.000     1.100 peak  1427 spectrum    1 weight  0.10000E+01 volume  0.17275E-03 ppm1     38.668 ppm2      7.384 CV     1
 ASSI { 1428}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      3.700     1.700     1.700 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.10786E-02 ppm1     58.912 ppm2      7.775 CV     1
 ASSI { 2085}
   (( segid "    " and resid 113  and name HD2 ))
   (( segid "    " and resid 113  and name HE1 ))
      2.400     0.700     0.700 peak  2085 spectrum    1 weight  0.10000E+01 volume  0.68088E-02 ppm1     41.778 ppm2      1.641 CV     1
 OR { 2085}
   (( segid "    " and resid 113  and name HD1 ))
   (( segid "    " and resid 113  and name HE2 ))
 OR { 2085}
   (( segid "    " and resid 113  and name HD2 ))
   (( segid "    " and resid 113  and name HE2 ))
 OR { 2085}
   (( segid "    " and resid 113  and name HD1 ))
   (( segid "    " and resid 113  and name HE1 ))
 ASSI { 2086}
   (( segid "    " and resid 113  and name HG1 ))
   (( segid "    " and resid 113  and name HE2 ))
      3.000     1.100     1.100 peak  2086 spectrum    1 weight  0.10000E+01 volume  0.23384E-02 ppm1     41.778 ppm2      1.425 CV     1
 OR { 2086}
   (( segid "    " and resid 113  and name HG2 ))
   (( segid "    " and resid 113  and name HE2 ))
 OR { 2086}
   (( segid "    " and resid 113  and name HG2 ))
   (( segid "    " and resid 113  and name HE1 ))
 OR { 2086}
   (( segid "    " and resid 113  and name HG1 ))
   (( segid "    " and resid 113  and name HE1 ))
 ASSI { 2088}
   (( segid "    " and resid 113  and name HD1 ))
   (( segid "    " and resid 113  and name HG2 ))
      2.100     0.500     0.500 peak  2088 spectrum    1 weight  0.10000E+01 volume  0.15168E-01 ppm1     24.770 ppm2      1.640 CV     1
 OR { 2088}
   (( segid "    " and resid 113  and name HD2 ))
   (( segid "    " and resid 113  and name HG1 ))
 OR { 2088}
   (( segid "    " and resid 113  and name HD2 ))
   (( segid "    " and resid 113  and name HG2 ))
 OR { 2088}
   (( segid "    " and resid 113  and name HD1 ))
   (( segid "    " and resid 113  and name HG1 ))
 ASSI { 1430}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HA  ))
      3.000     1.200     1.200 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.11882E-02 ppm1     58.912 ppm2      1.731 CV     1
 OR { 1430}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 59   and name HA  ))
 ASSI { 1431}
   (( segid "    " and resid 59   and name HG1 ))
   (( segid "    " and resid 59   and name HA  ))
      3.600     1.600     1.600 peak  1431 spectrum    1 weight  0.10000E+01 volume  0.11165E-02 ppm1     58.912 ppm2      1.536 CV     1
 OR { 1431}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 59   and name HA  ))
 ASSI { 2090}
   (( segid "    " and resid 114  and name HB2 ))
   (( segid "    " and resid 114  and name HA  ))
      3.000     1.100     1.100 peak  2090 spectrum    1 weight  0.10000E+01 volume  0.18539E-02 ppm1     57.046 ppm2      1.553 CV     1
 OR { 2090}
   (( segid "    " and resid 114  and name HB1 ))
   (( segid "    " and resid 114  and name HA  ))
 ASSI { 2091}
   (  segid "    " and resid 114  and name HD1%)
   (( segid "    " and resid 114  and name HA  ))
      3.400     1.500     1.500 peak  2091 spectrum    1 weight  0.10000E+01 volume  0.16306E-02 ppm1     57.046 ppm2      0.789 CV     1
 ASSI { 2092}
   (  segid "    " and resid 114  and name HD2%)
   (( segid "    " and resid 114  and name HA  ))
      3.200     1.300     1.300 peak  2092 spectrum    1 weight  0.10000E+01 volume  0.20646E-02 ppm1     57.046 ppm2      0.848 CV     1
 ASSI { 2093}
   (( segid "    " and resid 114  and name HG  ))
   (( segid "    " and resid 114  and name HA  ))
      3.200     1.200     1.200 peak  2093 spectrum    1 weight  0.10000E+01 volume  0.17275E-02 ppm1     57.046 ppm2      1.617 CV     1
 ASSI { 2097}
   (  segid "    " and resid 114  and name HD2%)
   (( segid "    " and resid 114  and name HB1 ))
      2.800     1.000     1.000 peak  2097 spectrum    1 weight  0.10000E+01 volume  0.30884E-02 ppm1     41.633 ppm2      0.846 CV     1
 OR { 2097}
   (  segid "    " and resid 114  and name HD2%)
   (( segid "    " and resid 114  and name HB2 ))
 ASSI { 1440}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HD2 ))
      5.500     3.800     0.500 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.20646E-03 ppm1     43.297 ppm2      3.834 CV     1
 OR { 1440}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HD1 ))
 ASSI { 1441}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HD2 ))
      3.100     1.200     1.200 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.14325E-02 ppm1     43.297 ppm2      1.730 CV     1
 OR { 1441}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 59   and name HD2 ))
 OR { 1441}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 59   and name HD1 ))
 OR { 1441}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HD1 ))
 ASSI { 1442}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 59   and name HD1 ))
      2.900     1.000     1.000 peak  1442 spectrum    1 weight  0.10000E+01 volume  0.22331E-02 ppm1     43.297 ppm2      1.539 CV     1
 OR { 1442}
   (( segid "    " and resid 59   and name HG1 ))
   (( segid "    " and resid 59   and name HD2 ))
 OR { 1442}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 59   and name HD2 ))
 OR { 1442}
   (( segid "    " and resid 59   and name HG1 ))
   (( segid "    " and resid 59   and name HD1 ))
 ASSI { 1444}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 59   and name HG2 ))
      4.200     2.200     1.800 peak  1444 spectrum    1 weight  0.10000E+01 volume  0.46347E-03 ppm1     27.086 ppm2      4.171 CV     1
 OR { 1444}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 59   and name HG1 ))
 ASSI { 1445}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 59   and name HG2 ))
      5.000     3.200     1.000 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.18539E-03 ppm1     27.086 ppm2      7.451 CV     1
 OR { 1445}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 59   and name HG1 ))
 ASSI { 1446}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 59   and name HG2 ))
      3.700     3.700     2.300 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.11039E-02 ppm1     27.086 ppm2      1.972 CV     1
 OR { 1446}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 59   and name HG1 ))
 ASSI { 1448}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HG1 ))
      2.500     0.800     0.800 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.51361E-02 ppm1     27.086 ppm2      1.733 CV     1
 OR { 1448}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 59   and name HG2 ))
 OR { 1448}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 59   and name HG1 ))
 OR { 1448}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HG2 ))
 ASSI { 1452}
   (( segid "    " and resid 60   and name HA1 ))
   (( segid "    " and resid 60   and name HA2 ))
      2.700     0.900     0.900 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.13946E-02 ppm1     45.191 ppm2      4.027 CV     1
 ASSI { 1457}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.800     1.800     1.800 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.34128E-03 ppm1     64.154 ppm2      8.795 CV     1
 ASSI { 1463}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 62   and name HB2 ))
      2.700     0.900     0.900 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.11334E-02 ppm1     31.728 ppm2      1.789 CV     1
 ASSI { 1465}
   (( segid "    " and resid 62   and name HD1 ))
   (( segid "    " and resid 62   and name HB1 ))
      5.500     3.700     0.500 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.17275E-03 ppm1     31.726 ppm2      3.624 CV     1
 OR { 1465}
   (( segid "    " and resid 62   and name HD2 ))
   (( segid "    " and resid 62   and name HB1 ))
 ASSI { 1466}
   (( segid "    " and resid 62   and name HD2 ))
   (( segid "    " and resid 62   and name HB2 ))
      5.100     3.200     0.900 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.15589E-03 ppm1     31.728 ppm2      3.624 CV     1
 OR { 1466}
   (( segid "    " and resid 62   and name HD1 ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI { 1467}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
      3.300     3.300     2.700 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.48454E-03 ppm1     31.728 ppm2      7.929 CV     1
 ASSI { 1470}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 62   and name HD1 ))
      4.000     2.000     2.000 peak  1470 spectrum    1 weight  0.10000E+01 volume  0.61937E-03 ppm1     50.614 ppm2      3.916 CV     1
 ASSI { 1471}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      4.300     2.300     1.700 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.27808E-03 ppm1     56.305 ppm2      7.234 CV     1
 ASSI { 1473}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 63   and name HA  ))
      3.500     1.500     1.500 peak  1473 spectrum    1 weight  0.10000E+01 volume  0.53931E-03 ppm1     56.305 ppm2      2.622 CV     1
 ASSI { 1474}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HA  ))
      4.600     2.600     1.400 peak  1474 spectrum    1 weight  0.10000E+01 volume  0.31179E-03 ppm1     56.305 ppm2      3.012 CV     1
 ASSI { 1478}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 63   and name HB2 ))
      2.600     0.800     0.800 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.16685E-02 ppm1     37.645 ppm2      2.617 CV     1
 ASSI { 1482}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HA  ))
      3.300     1.400     1.400 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.92695E-03 ppm1     60.778 ppm2      2.020 CV     1
 OR { 1482}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 65   and name HA  ))
 ASSI { 1486}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 65   and name HB1 ))
      2.800     2.800     3.200 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.12345E-02 ppm1     27.849 ppm2      1.826 CV     1
 OR { 1486}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 65   and name HB2 ))
 ASSI { 1488}
   (( segid "    " and resid 62   and name HD1 ))
   (( segid "    " and resid 65   and name HB2 ))
      4.100     2.100     1.900 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.59830E-03 ppm1     27.849 ppm2      3.617 CV     1
 OR { 1488}
   (( segid "    " and resid 62   and name HD1 ))
   (( segid "    " and resid 65   and name HB1 ))
 OR { 1488}
   (( segid "    " and resid 62   and name HD2 ))
   (( segid "    " and resid 65   and name HB1 ))
 ASSI { 1490}
   (( segid "    " and resid 65   and name HG1 ))
   (( segid "    " and resid 65   and name HB1 ))
      2.900     1.000     1.000 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.26376E-02 ppm1     27.849 ppm2      2.305 CV     1
 OR { 1490}
   (( segid "    " and resid 65   and name HG1 ))
   (( segid "    " and resid 65   and name HB2 ))
 ASSI { 1494}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HG1 ))
      3.700     1.700     1.700 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.43819E-03 ppm1     36.756 ppm2      3.915 CV     1
 ASSI { 1497}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HG2 ))
      3.400     1.400     1.400 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.71204E-03 ppm1     36.756 ppm2      2.008 CV     1
 OR { 1497}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 65   and name HG2 ))
 ASSI { 1498}
   (( segid "    " and resid 65   and name HG1 ))
   (( segid "    " and resid 65   and name HG2 ))
      2.500     0.800     0.800 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.21151E-02 ppm1     36.756 ppm2      2.305 CV     1
 ASSI { 6000}
   (( segid "    " and resid 116  and name HG2 ))
   (( segid "    " and resid 116  and name HB1 ))
      2.400     0.700     0.700 peak  6000 spectrum    1 weight  0.10000E+01 volume  0.76809E-02 ppm1     29.507 ppm2      2.274 CV     1
 OR { 6000}
   (( segid "    " and resid 116  and name HG2 ))
   (( segid "    " and resid 116  and name HB2 ))
 ASSI { 6002}
   (( segid "    " and resid 116  and name HG1 ))
   (( segid "    " and resid 116  and name HG2 ))
      2.200     0.600     0.600 peak  6002 spectrum    1 weight  0.10000E+01 volume  0.35434E-02 ppm1     36.117 ppm2      2.034 CV     1
 ASSI { 9389}
   (( segid "    " and resid 39   and name HB1 ))
   (  segid "    " and resid 84   and name HB% )
      2.900     2.900     3.100 peak  9389 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     18.793 ppm2      2.463 CV     1
 OR { 9389}
   (( segid "    " and resid 39   and name HB2 ))
   (  segid "    " and resid 84   and name HB% )
 ASSI { 9390}
   (  segid "    " and resid 6    and name HD1%)
   (( segid "    " and resid 96   and name HA  ))
      2.700     2.700     3.300 peak  9390 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     59.910 ppm2      0.760 CV     1
 ASSI { 9392}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 85   and name HB1 ))
      3.200     3.200     2.800 peak  9392 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     29.317 ppm2      8.173 CV     1
 ASSI { 9393}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 85   and name HB2 ))
      3.100     3.100     2.900 peak  9393 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     29.317 ppm2      8.174 CV     1
 ASSI { 9394}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 92   and name HB  ))
      2.800     1.000     1.000 peak  9394 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     31.653 ppm2      7.784 CV     1
 ASSI { 9395}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HG1 ))
      3.100     1.200     1.200 peak  9395 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     35.669 ppm2      8.685 CV     1
 OR { 9395}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HG2 ))
 ASSI { 9396}
   (( segid "    " and resid 96   and name HE1 ))
   (  segid "    " and resid 95   and name HG1%)
      2.300     2.300     3.700 peak  9396 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     20.741 ppm2      2.909 CV     1
 OR { 9396}
   (( segid "    " and resid 96   and name HE2 ))
   (  segid "    " and resid 95   and name HG1%)
 ASSI { 9398}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 96   and name HA  ))
      3.100     3.100     2.900 peak  9398 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     61.203 ppm2      1.869 CV     1
 OR { 9398}
   (( segid "    " and resid 97   and name HB1 ))
   (( segid "    " and resid 96   and name HA  ))
 ASSI { 9399}
   (( segid "    " and resid 99   and name HG  ))
   (( segid "    " and resid 96   and name HA  ))
      2.600     0.800     0.800 peak  9399 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     61.203 ppm2      1.549 CV     1
 ASSI { 2101}
   (( segid "    " and resid 114  and name HB2 ))
   (  segid "    " and resid 114  and name HD1%)
      2.800     1.000     1.000 peak  2101 spectrum    1 weight  0.10000E+01 volume  0.30631E-02 ppm1     24.126 ppm2      1.555 CV     1
 OR { 2101}
   (( segid "    " and resid 114  and name HB1 ))
   (  segid "    " and resid 114  and name HD1%)
 ASSI { 2103}
   (( segid "    " and resid 114  and name HG  ))
   (  segid "    " and resid 114  and name HD1%)
      2.800     1.000     1.000 peak  2103 spectrum    1 weight  0.10000E+01 volume  0.28609E-02 ppm1     24.126 ppm2      1.617 CV     1
 ASSI { 2106}
   (  segid "    " and resid 114  and name HD1%)
   (  segid "    " and resid 114  and name HD2%)
      1.500     0.300     0.700 peak  2106 spectrum    1 weight  0.10000E+01 volume  0.15869E+00 ppm1     24.126 ppm2      0.790 CV     1
 ASSI { 2107}
   (( segid "    " and resid 114  and name HG  ))
   (  segid "    " and resid 114  and name HD2%)
      2.800     1.000     1.000 peak  2107 spectrum    1 weight  0.10000E+01 volume  0.24859E-02 ppm1     24.126 ppm2      1.618 CV     1
 ASSI { 2110}
   (( segid "    " and resid 114  and name HB1 ))
   (( segid "    " and resid 114  and name HG  ))
      2.100     0.500     0.500 peak  2110 spectrum    1 weight  0.10000E+01 volume  0.15977E-01 ppm1     27.132 ppm2      1.548 CV     1
 OR { 2110}
   (( segid "    " and resid 114  and name HB2 ))
   (( segid "    " and resid 114  and name HG  ))
 ASSI { 2114}
   (( segid "    " and resid 116  and name HA  ))
   (( segid "    " and resid 116  and name HB2 ))
      3.100     1.200     1.200 peak  2114 spectrum    1 weight  0.10000E+01 volume  0.13693E-02 ppm1     29.507 ppm2      4.018 CV     1
 OR { 2114}
   (( segid "    " and resid 116  and name HA  ))
   (( segid "    " and resid 116  and name HB1 ))
 ASSI { 2115}
   (( segid "    " and resid 116  and name HG1 ))
   (( segid "    " and resid 116  and name HB1 ))
      2.300     0.700     0.700 peak  2115 spectrum    1 weight  0.10000E+01 volume  0.66616E-02 ppm1     29.507 ppm2      2.163 CV     1
 OR { 2115}
   (( segid "    " and resid 116  and name HG1 ))
   (( segid "    " and resid 116  and name HB2 ))
 OR { 2115}
   (( segid "    " and resid 116  and name HG2 ))
   (( segid "    " and resid 116  and name HB1 ))
 OR { 2115}
   (( segid "    " and resid 116  and name HG2 ))
   (( segid "    " and resid 116  and name HB2 ))
 ASSI { 2117}
   (( segid "    " and resid 117  and name HB1 ))
   (( segid "    " and resid 117  and name HA  ))
      3.100     1.200     1.200 peak  2117 spectrum    1 weight  0.10000E+01 volume  0.15379E-02 ppm1     56.688 ppm2      1.590 CV     1
 OR { 2117}
   (( segid "    " and resid 117  and name HB2 ))
   (( segid "    " and resid 117  and name HA  ))
 ASSI { 2118}
   (  segid "    " and resid 117  and name HD1%)
   (( segid "    " and resid 117  and name HA  ))
      3.100     1.200     1.200 peak  2118 spectrum    1 weight  0.10000E+01 volume  0.18033E-02 ppm1     56.688 ppm2      0.789 CV     1
 ASSI { 2119}
   (  segid "    " and resid 117  and name HD2%)
   (( segid "    " and resid 117  and name HA  ))
      2.800     1.000     1.000 peak  2119 spectrum    1 weight  0.10000E+01 volume  0.21952E-02 ppm1     56.688 ppm2      0.845 CV     1
 ASSI { 2120}
   (( segid "    " and resid 117  and name HG  ))
   (( segid "    " and resid 117  and name HA  ))
      3.700     1.700     1.700 peak  2120 spectrum    1 weight  0.10000E+01 volume  0.15336E-02 ppm1     56.688 ppm2      1.669 CV     1
 ASSI { 2124}
   (( segid "    " and resid 117  and name HG  ))
   (( segid "    " and resid 117  and name HB1 ))
      1.900     0.400     0.400 peak  2124 spectrum    1 weight  0.10000E+01 volume  0.21889E-01 ppm1     42.095 ppm2      1.669 CV     1
 OR { 2124}
   (( segid "    " and resid 117  and name HG  ))
   (( segid "    " and resid 117  and name HB2 ))
 ASSI { 2126}
   (( segid "    " and resid 117  and name HB1 ))
   (  segid "    " and resid 117  and name HD1%)
      2.900     1.100     1.100 peak  2126 spectrum    1 weight  0.10000E+01 volume  0.25954E-02 ppm1     24.100 ppm2      1.589 CV     1
 OR { 2126}
   (( segid "    " and resid 117  and name HB2 ))
   (  segid "    " and resid 117  and name HD1%)
 ASSI { 2128}
   (( segid "    " and resid 117  and name HG  ))
   (  segid "    " and resid 117  and name HD1%)
      2.700     0.900     0.900 peak  2128 spectrum    1 weight  0.10000E+01 volume  0.28735E-02 ppm1     24.100 ppm2      1.669 CV     1
 ASSI { 2130}
   (( segid "    " and resid 117  and name HB2 ))
   (  segid "    " and resid 117  and name HD2%)
      3.100     1.200     1.200 peak  2130 spectrum    1 weight  0.10000E+01 volume  0.21446E-02 ppm1     24.100 ppm2      1.589 CV     1
 OR { 2130}
   (( segid "    " and resid 117  and name HB1 ))
   (  segid "    " and resid 117  and name HD2%)
 ASSI { 2131}
   (  segid "    " and resid 117  and name HD1%)
   (  segid "    " and resid 117  and name HD2%)
      1.500     0.300     0.700 peak  2131 spectrum    1 weight  0.10000E+01 volume  0.15676E+00 ppm1     24.100 ppm2      0.789 CV     1
 ASSI { 2132}
   (( segid "    " and resid 117  and name HG  ))
   (  segid "    " and resid 117  and name HD2%)
      2.600     0.900     0.900 peak  2132 spectrum    1 weight  0.10000E+01 volume  0.29789E-02 ppm1     24.100 ppm2      1.669 CV     1
 ASSI { 2137}
   (  segid "    " and resid 118  and name HB% )
   (( segid "    " and resid 118  and name HA  ))
      3.500     1.500     1.500 peak  2137 spectrum    1 weight  0.10000E+01 volume  0.85112E-03 ppm1     53.585 ppm2      1.356 CV     1
 ASSI { 2140}
   (  segid "    " and resid 120  and name HD2%)
   (( segid "    " and resid 119  and name HA  ))
      4.800     2.900     1.200 peak  2140 spectrum    1 weight  0.10000E+01 volume  0.20224E-03 ppm1     62.981 ppm2      0.836 CV     1
 ASSI { 2141}
   (  segid "    " and resid 119  and name HG2%)
   (( segid "    " and resid 119  and name HA  ))
      4.500     2.600     1.500 peak  2141 spectrum    1 weight  0.10000E+01 volume  0.17275E-03 ppm1     62.981 ppm2      1.002 CV     1
 ASSI { 2145}
   (( segid "    " and resid 119  and name HB  ))
   (  segid "    " and resid 119  and name HD1%)
      4.300     2.300     1.700 peak  2145 spectrum    1 weight  0.10000E+01 volume  0.23173E-03 ppm1     12.895 ppm2      1.819 CV     1
 ASSI { 2147}
   (  segid "    " and resid 119  and name HG2%)
   (  segid "    " and resid 119  and name HD1%)
      4.500     2.500     1.500 peak  2147 spectrum    1 weight  0.10000E+01 volume  0.24859E-03 ppm1     12.895 ppm2      0.999 CV     1
 ASSI { 2149}
   (( segid "    " and resid 119  and name HB  ))
   (( segid "    " and resid 119  and name HG12))
      3.500     1.600     1.600 peak  2149 spectrum    1 weight  0.10000E+01 volume  0.60673E-03 ppm1     28.263 ppm2      1.820 CV     1
 OR { 2149}
   (( segid "    " and resid 119  and name HB  ))
   (( segid "    " and resid 119  and name HG11))
 ASSI { 2150}
   (  segid "    " and resid 119  and name HD1%)
   (( segid "    " and resid 119  and name HG11))
      3.000     1.100     1.100 peak  2150 spectrum    1 weight  0.10000E+01 volume  0.18708E-02 ppm1     28.263 ppm2      0.712 CV     1
 OR { 2150}
   (  segid "    " and resid 119  and name HD1%)
   (( segid "    " and resid 119  and name HG12))
 ASSI { 2151}
   (  segid "    " and resid 119  and name HG2%)
   (( segid "    " and resid 119  and name HG11))
      3.500     1.500     1.500 peak  2151 spectrum    1 weight  0.10000E+01 volume  0.91008E-03 ppm1     28.263 ppm2      1.001 CV     1
 OR { 2151}
   (  segid "    " and resid 119  and name HG2%)
   (( segid "    " and resid 119  and name HG12))
 ASSI { 2152}
   (( segid "    " and resid 120  and name HB1 ))
   (( segid "    " and resid 120  and name HA  ))
      3.000     1.100     1.100 peak  2152 spectrum    1 weight  0.10000E+01 volume  0.16643E-02 ppm1     56.687 ppm2      1.616 CV     1
 OR { 2152}
   (( segid "    " and resid 120  and name HB2 ))
   (( segid "    " and resid 120  and name HA  ))
 ASSI { 2153}
   (  segid "    " and resid 120  and name HD1%)
   (( segid "    " and resid 120  and name HA  ))
      3.000     1.100     1.100 peak  2153 spectrum    1 weight  0.10000E+01 volume  0.18454E-02 ppm1     56.687 ppm2      0.791 CV     1
 ASSI { 2154}
   (  segid "    " and resid 120  and name HD2%)
   (( segid "    " and resid 120  and name HA  ))
      2.900     1.100     1.100 peak  2154 spectrum    1 weight  0.10000E+01 volume  0.22289E-02 ppm1     56.687 ppm2      0.846 CV     1
 ASSI { 2155}
   (( segid "    " and resid 120  and name HG  ))
   (( segid "    " and resid 120  and name HA  ))
      3.500     1.500     1.500 peak  2155 spectrum    1 weight  0.10000E+01 volume  0.17991E-02 ppm1     56.687 ppm2      1.555 CV     1
 ASSI { 1502}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HA  ))
      3.900     1.900     1.900 peak  1502 spectrum    1 weight  0.10000E+01 volume  0.35814E-03 ppm1     57.796 ppm2      3.111 CV     1
 OR { 1502}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 66   and name HA  ))
 ASSI { 1503}
   (( segid "    " and resid 44   and name HD1 ))
   (( segid "    " and resid 66   and name HA  ))
      5.400     3.600     0.600 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.88480E-04 ppm1     57.796 ppm2      2.342 CV     1
 ASSI { 2160}
   (( segid "    " and resid 120  and name HB1 ))
   (  segid "    " and resid 120  and name HD1%)
      2.900     1.100     1.100 peak  2160 spectrum    1 weight  0.10000E+01 volume  0.28609E-02 ppm1     24.090 ppm2      1.616 CV     1
 OR { 2160}
   (( segid "    " and resid 120  and name HB2 ))
   (  segid "    " and resid 120  and name HD1%)
 ASSI { 2162}
   (( segid "    " and resid 120  and name HG  ))
   (  segid "    " and resid 120  and name HD1%)
      2.700     0.900     0.900 peak  2162 spectrum    1 weight  0.10000E+01 volume  0.30631E-02 ppm1     24.090 ppm2      1.555 CV     1
 ASSI { 2164}
   (( segid "    " and resid 120  and name HB2 ))
   (  segid "    " and resid 120  and name HD2%)
      3.000     1.100     1.100 peak  2164 spectrum    1 weight  0.10000E+01 volume  0.24859E-02 ppm1     24.090 ppm2      1.616 CV     1
 OR { 2164}
   (( segid "    " and resid 120  and name HB1 ))
   (  segid "    " and resid 120  and name HD2%)
 ASSI { 1509}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HA  ))
      3.600     1.600     1.600 peak  1509 spectrum    1 weight  0.10000E+01 volume  0.98591E-03 ppm1     56.364 ppm2      1.557 CV     1
 ASSI { 2165}
   (  segid "    " and resid 120  and name HD1%)
   (  segid "    " and resid 120  and name HD2%)
      1.500     0.300     0.700 peak  2165 spectrum    1 weight  0.10000E+01 volume  0.15869E+00 ppm1     24.090 ppm2      0.790 CV     1
 ASSI { 2166}
   (( segid "    " and resid 120  and name HG  ))
   (  segid "    " and resid 120  and name HD2%)
      2.700     0.900     0.900 peak  2166 spectrum    1 weight  0.10000E+01 volume  0.29620E-02 ppm1     24.090 ppm2      1.554 CV     1
 ASSI { 2168}
   (( segid "    " and resid 120  and name HB2 ))
   (( segid "    " and resid 120  and name HG  ))
      1.800     0.400     0.400 peak  2168 spectrum    1 weight  0.10000E+01 volume  0.36526E-01 ppm1     26.901 ppm2      1.616 CV     1
 OR { 2168}
   (( segid "    " and resid 120  and name HB1 ))
   (( segid "    " and resid 120  and name HG  ))
 ASSI { 1514}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HB1 ))
      2.600     0.900     0.900 peak  1514 spectrum    1 weight  0.10000E+01 volume  0.14157E-02 ppm1     41.289 ppm2      1.838 CV     1
 ASSI { 1517}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HG  ))
      3.800     1.900     1.900 peak  1517 spectrum    1 weight  0.10000E+01 volume  0.41712E-03 ppm1     24.702 ppm2      1.557 CV     1
 ASSI { 2176}
   (( segid "    " and resid 124  and name HB2 ))
   (( segid "    " and resid 124  and name HB1 ))
      1.900     0.500     0.500 peak  2176 spectrum    1 weight  0.10000E+01 volume  0.93074E-02 ppm1     38.614 ppm2      2.897 CV     1
 ASSI { 1520}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 68   and name HA  ))
      3.600     1.600     1.600 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.55195E-03 ppm1     53.803 ppm2      2.761 CV     1
 ASSI { 1522}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HB2 ))
      4.900     3.000     1.100 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.16854E-03 ppm1     39.303 ppm2      4.731 CV     1
 ASSI { 1523}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 68   and name HB2 ))
      2.900     1.100     1.100 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.93959E-03 ppm1     39.303 ppm2      2.752 CV     1
 ASSI { 2182}
   (( segid "    " and resid 126  and name HB2 ))
   (( segid "    " and resid 126  and name HA  ))
      4.100     2.100     1.900 peak  2182 spectrum    1 weight  0.10000E+01 volume  0.32864E-03 ppm1     54.398 ppm2      2.591 CV     1
 OR { 2182}
   (( segid "    " and resid 126  and name HB1 ))
   (( segid "    " and resid 126  and name HA  ))
 ASSI { 1527}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 69   and name HA  ))
      3.600     1.600     1.600 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.62358E-03 ppm1     55.683 ppm2      2.427 CV     1
 OR { 1527}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HA  ))
 ASSI { 2183}
   (  segid "    " and resid 127  and name HB% )
   (( segid "    " and resid 127  and name HA  ))
      3.900     1.900     1.900 peak  2183 spectrum    1 weight  0.10000E+01 volume  0.44241E-03 ppm1     53.208 ppm2      1.301 CV     1
 ASSI { 1528}
   (( segid "    " and resid 69   and name HG1 ))
   (( segid "    " and resid 69   and name HA  ))
      4.000     2.000     2.000 peak  1528 spectrum    1 weight  0.10000E+01 volume  0.48875E-03 ppm1     55.683 ppm2      2.337 CV     1
 OR { 1528}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 69   and name HA  ))
 ASSI { 2185}
   (( segid "    " and resid 130  and name HA  ))
   (  segid "    " and resid 127  and name HB% )
      2.600     2.600     3.400 peak  2185 spectrum    1 weight  0.10000E+01 volume  0.20435E-02 ppm1     19.219 ppm2      4.235 CV     1
 ASSI { 2189}
   (( segid "    " and resid 128  and name HN  ))
   (  segid "    " and resid 127  and name HB% )
      4.200     2.200     1.800 peak  2189 spectrum    1 weight  0.10000E+01 volume  0.38342E-03 ppm1     19.219 ppm2      8.354 CV     1
 ASSI { 1534}
   (( segid "    " and resid 65   and name HG2 ))
   (( segid "    " and resid 69   and name HG1 ))
      3.200     3.200     2.800 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.17359E-02 ppm1     37.419 ppm2      2.514 CV     1
 OR { 1534}
   (( segid "    " and resid 65   and name HG2 ))
   (( segid "    " and resid 69   and name HG2 ))
 ASSI { 1535}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HG2 ))
      2.300     0.600     0.600 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.97036E-02 ppm1     37.419 ppm2      2.426 CV     1
 OR { 1535}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HG1 ))
 OR { 1535}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 69   and name HG2 ))
 OR { 1535}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 69   and name HG1 ))
 ASSI { 2193}
   (  segid "    " and resid 127  and name HB% )
   (( segid "    " and resid 128  and name HA  ))
      4.400     2.400     1.600 peak  2193 spectrum    1 weight  0.10000E+01 volume  0.28651E-03 ppm1     53.621 ppm2      1.289 CV     1
 ASSI { 1539}
   (( segid "    " and resid 70   and name HB1 ))
   (( segid "    " and resid 70   and name HB2 ))
      3.000     3.000     3.000 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.80057E-03 ppm1     41.363 ppm2      2.554 CV     1
 ASSI { 2196}
   (( segid "    " and resid 128  and name HB2 ))
   (( segid "    " and resid 128  and name HB1 ))
      1.800     0.400     0.400 peak  2196 spectrum    1 weight  0.10000E+01 volume  0.13289E-01 ppm1     38.879 ppm2      2.747 CV     1
 ASSI { 2198}
   (( segid "    " and resid 129  and name HG  ))
   (( segid "    " and resid 129  and name HB2 ))
      1.900     0.400     0.400 peak  2198 spectrum    1 weight  0.10000E+01 volume  0.31853E-01 ppm1     42.245 ppm2      1.676 CV     1
 OR { 2198}
   (( segid "    " and resid 129  and name HG  ))
   (( segid "    " and resid 129  and name HB1 ))
 ASSI { 1542}
   (( segid "    " and resid 10   and name HB  ))
   (( segid "    " and resid 71   and name HB1 ))
      3.400     1.400     1.400 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.44241E-03 ppm1     41.701 ppm2      2.145 CV     1
 ASSI { 1543}
   (  segid "    " and resid 71   and name HD1%)
   (( segid "    " and resid 71   and name HB1 ))
      4.600     2.600     1.400 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.26966E-03 ppm1     41.701 ppm2      0.611 CV     1
 ASSI { 1544}
   (  segid "    " and resid 71   and name HD2%)
   (( segid "    " and resid 71   and name HB1 ))
      3.500     1.600     1.600 peak  1544 spectrum    1 weight  0.10000E+01 volume  0.10912E-02 ppm1     41.701 ppm2      0.762 CV     1
 ASSI { 1547}
   (  segid "    " and resid 71   and name HD2%)
   (  segid "    " and resid 71   and name HD1%)
      2.400     0.700     0.700 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.66572E-02 ppm1     24.096 ppm2      0.761 CV     1
 ASSI { 1551}
   (( segid "    " and resid 46   and name HB1 ))
   (  segid "    " and resid 71   and name HD2%)
      4.700     2.700     1.300 peak  1551 spectrum    1 weight  0.10000E+01 volume  0.18960E-03 ppm1     24.096 ppm2      1.876 CV     1
 OR { 1551}
   (( segid "    " and resid 46   and name HB2 ))
   (  segid "    " and resid 71   and name HD2%)
 ASSI { 1560}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HB2 ))
      3.100     3.100     2.900 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.42555E-03 ppm1     30.980 ppm2      2.053 CV     1
 ASSI { 1565}
   (  segid "    " and resid 73   and name HG1%)
   (( segid "    " and resid 73   and name HA  ))
      3.300     1.300     1.300 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.93118E-03 ppm1     60.378 ppm2      0.709 CV     1
 ASSI { 1566}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 73   and name HA  ))
      3.500     1.600     1.600 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.11334E-02 ppm1     60.378 ppm2      0.747 CV     1
 ASSI { 1569}
   (  segid "    " and resid 73   and name HG1%)
   (( segid "    " and resid 73   and name HB  ))
      3.100     1.200     1.200 peak  1569 spectrum    1 weight  0.10000E+01 volume  0.11544E-02 ppm1     33.666 ppm2      0.707 CV     1
 ASSI { 1570}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 73   and name HB  ))
      3.000     1.100     1.100 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.13778E-02 ppm1     33.666 ppm2      0.749 CV     1
 ASSI { 1573}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 73   and name HG2%)
      5.300     3.600     0.700 peak  1573 spectrum    1 weight  0.10000E+01 volume  0.16011E-03 ppm1     22.056 ppm2      5.120 CV     1
 OR { 1573}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 73   and name HG1%)
 ASSI { 1574}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 73   and name HG2%)
      3.700     1.700     1.700 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.47190E-03 ppm1     22.056 ppm2      4.535 CV     1
 OR { 1574}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 73   and name HG1%)
 ASSI { 1575}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 73   and name HG2%)
      2.800     1.000     1.000 peak  1575 spectrum    1 weight  0.10000E+01 volume  0.23258E-02 ppm1     22.056 ppm2      1.796 CV     1
 OR { 1575}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 73   and name HG1%)
 ASSI { 1578}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      4.100     2.100     1.900 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.54353E-03 ppm1     53.447 ppm2      8.866 CV     1
 ASSI { 1583}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HB2 ))
      2.900     2.900     3.100 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.53089E-03 ppm1     45.403 ppm2      1.104 CV     1
 ASSI { 1585}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 74   and name HB1 ))
      3.700     1.700     1.700 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.49297E-03 ppm1     45.403 ppm2      0.656 CV     1
 ASSI { 1586}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 74   and name HB2 ))
      3.200     1.300     1.300 peak  1586 spectrum    1 weight  0.10000E+01 volume  0.67836E-03 ppm1     45.403 ppm2      0.656 CV     1
 ASSI { 1588}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 74   and name HB2 ))
      3.900     1.900     1.900 peak  1588 spectrum    1 weight  0.10000E+01 volume  0.72467E-03 ppm1     45.403 ppm2      0.692 CV     1
 ASSI { 1591}
   (  segid "    " and resid 74   and name HD2%)
   (  segid "    " and resid 74   and name HD1%)
      2.000     0.500     0.500 peak  1591 spectrum    1 weight  0.10000E+01 volume  0.19394E-01 ppm1     23.639 ppm2      0.692 CV     1
 ASSI { 1592}
   (( segid "    " and resid 5    and name HE2 ))
   (  segid "    " and resid 74   and name HD2%)
      5.200     3.400     0.800 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.19381E-03 ppm1     23.639 ppm2      2.426 CV     1
 OR { 1592}
   (( segid "    " and resid 5    and name HE1 ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI { 1593}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 74   and name HD2%)
      5.000     3.100     1.000 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.26123E-03 ppm1     23.639 ppm2      5.047 CV     1
 ASSI { 1594}
   (( segid "    " and resid 5    and name HD1 ))
   (  segid "    " and resid 74   and name HD2%)
      4.500     2.500     1.500 peak  1594 spectrum    1 weight  0.10000E+01 volume  0.72891E-03 ppm1     23.639 ppm2      0.901 CV     1
 ASSI { 1595}
   (( segid "    " and resid 5    and name HG2 ))
   (  segid "    " and resid 74   and name HD2%)
      4.700     2.800     1.300 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.51825E-03 ppm1     23.639 ppm2      1.004 CV     1
 ASSI { 1596}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 74   and name HD2%)
      4.700     2.800     1.300 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.48033E-03 ppm1     23.639 ppm2      8.871 CV     1
 ASSI { 9403}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      2.600     0.800     0.800 peak  9403 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     55.619 ppm2      7.502 CV     1
 ASSI { 9405}
   (  segid "    " and resid 18   and name HE% )
   (( segid "    " and resid 99   and name HA  ))
      2.800     1.000     1.000 peak  9405 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     54.594 ppm2      7.399 CV     1
 ASSI { 9406}
   (( segid "    " and resid 97   and name HA  ))
   (  segid "    " and resid 99   and name HD1%)
      2.800     2.800     3.200 peak  9406 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     23.948 ppm2      3.930 CV     1
 ASSI { 9407}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      3.000     1.200     1.200 peak  9407 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     54.858 ppm2      8.545 CV     1
 ASSI { 9409}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB1 ))
      2.600     0.900     0.900 peak  9409 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     33.349 ppm2      4.501 CV     1
 ASSI { 9411}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      2.800     2.800     3.200 peak  9411 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     60.023 ppm2      9.219 CV     1
 ASSI { 9413}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.800     1.000     1.000 peak  9413 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     54.898 ppm2      8.215 CV     1
 ASSI { 9414}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      3.000     3.000     3.000 peak  9414 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     57.982 ppm2      8.150 CV     1
 ASSI { 9415}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.700     0.900     0.900 peak  9415 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     55.664 ppm2      7.966 CV     1
 ASSI { 9421}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 23   and name HB1 ))
      2.700     0.900     0.900 peak  9421 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     42.607 ppm2      0.834 CV     1
 OR { 9421}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 23   and name HB2 ))
 ASSI { 9422}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
      2.600     0.900     0.900 peak  9422 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     42.607 ppm2      7.795 CV     1
 OR { 9422}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
 ASSI { 9423}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 43   and name HB  ))
      3.100     3.100     2.900 peak  9423 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     42.607 ppm2      1.752 CV     1
 OR { 9423}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 43   and name HB  ))
 ASSI { 9425}
   (  segid "    " and resid 23   and name HD1%)
   (( segid "    " and resid 21   and name HA  ))
      3.000     3.000     3.000 peak  9425 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     57.985 ppm2      0.791 CV     1
 ASSI { 9427}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.600     0.900     0.900 peak  9427 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     57.985 ppm2      7.082 CV     1
 ASSI { 9430}
   (( segid "    " and resid 22   and name HB  ))
   (( segid "    " and resid 21   and name HG2 ))
      2.800     2.800     3.200 peak  9430 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     27.397 ppm2      1.574 CV     1
 ASSI { 9431}
   (  segid "    " and resid 16   and name HD% )
   (( segid "    " and resid 21   and name HG2 ))
      3.000     3.000     3.000 peak  9431 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     27.397 ppm2      5.830 CV     1
 ASSI { 9435}
   (( segid "    " and resid 20   and name HA1 ))
   (( segid "    " and resid 19   and name HB  ))
      3.100     3.100     2.900 peak  9435 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     31.748 ppm2      3.582 CV     1
 ASSI { 9436}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 19   and name HG1%)
      2.900     2.900     3.100 peak  9436 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     21.714 ppm2      7.785 CV     1
 ASSI { 9437}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 19   and name HG1%)
      2.800     2.800     3.200 peak  9437 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     21.714 ppm2      8.757 CV     1
 ASSI { 9438}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 18   and name HB2 ))
      2.900     2.900     3.100 peak  9438 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     40.573 ppm2      0.616 CV     1
 OR { 9438}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 18   and name HB1 ))
 ASSI { 9443}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 12   and name HB2 ))
      3.100     3.100     2.900 peak  9443 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     30.303 ppm2      1.705 CV     1
 OR { 9443}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI { 9444}
   (  segid "    " and resid 10   and name HG1%)
   (( segid "    " and resid 9    and name HA  ))
      3.300     1.300     1.300 peak  9444 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     63.611 ppm2      1.071 CV     1
 OR { 9444}
   (  segid "    " and resid 10   and name HG2%)
   (( segid "    " and resid 9    and name HA  ))
 ASSI { 9446}
   (  segid "    " and resid 18   and name HE% )
   (  segid "    " and resid 8    and name HG1%)
      2.700     0.900     0.900 peak  9446 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     21.763 ppm2      7.380 CV     1
 ASSI { 9447}
   (  segid "    " and resid 8    and name HG1%)
   (  segid "    " and resid 8    and name HG2%)
      2.700     0.900     0.900 peak  9447 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     21.630 ppm2      0.238 CV     1
 ASSI { 9451}
   (  segid "    " and resid 10   and name HG2%)
   (  segid "    " and resid 8    and name HG2%)
      3.000     1.100     1.100 peak  9451 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     21.630 ppm2      1.083 CV     1
 OR { 9451}
   (  segid "    " and resid 10   and name HG1%)
   (  segid "    " and resid 8    and name HG2%)
 ASSI { 9453}
   (( segid "    " and resid 8    and name HB  ))
   (  segid "    " and resid 8    and name HG2%)
      2.600     0.800     0.800 peak  9453 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     21.630 ppm2      1.536 CV     1
 ASSI { 9455}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 8    and name HG2%)
      2.600     0.900     0.900 peak  9455 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     21.630 ppm2      5.130 CV     1
 ASSI { 9457}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
      2.600     0.800     0.800 peak  9457 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     21.630 ppm2      7.748 CV     1
 ASSI { 9488}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 6    and name HD2%)
      2.500     0.800     0.800 peak  9488 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     24.841 ppm2      1.752 CV     1
 ASSI { 9489}
   (  segid "    " and resid 30   and name HB% )
   (  segid "    " and resid 41   and name HG2%)
      2.600     0.800     0.800 peak  9489 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     17.002 ppm2      1.420 CV     1
 ASSI { 2200}
   (( segid "    " and resid 129  and name HA  ))
   (  segid "    " and resid 129  and name HD2%)
      3.200     1.300     1.300 peak  2200 spectrum    1 weight  0.10000E+01 volume  0.17486E-02 ppm1     24.095 ppm2      4.144 CV     1
 ASSI { 2201}
   (( segid "    " and resid 129  and name HB1 ))
   (  segid "    " and resid 129  and name HD2%)
      2.900     1.000     1.000 peak  2201 spectrum    1 weight  0.10000E+01 volume  0.33791E-02 ppm1     24.095 ppm2      1.595 CV     1
 OR { 2201}
   (( segid "    " and resid 129  and name HB2 ))
   (  segid "    " and resid 129  and name HD2%)
 ASSI { 2202}
   (  segid "    " and resid 129  and name HD1%)
   (  segid "    " and resid 129  and name HD2%)
      1.600     0.300     0.600 peak  2202 spectrum    1 weight  0.10000E+01 volume  0.12136E+00 ppm1     24.095 ppm2      0.731 CV     1
 ASSI { 2203}
   (( segid "    " and resid 129  and name HG  ))
   (  segid "    " and resid 129  and name HD2%)
      2.700     0.900     0.900 peak  2203 spectrum    1 weight  0.10000E+01 volume  0.32359E-02 ppm1     24.095 ppm2      1.677 CV     1
 ASSI { 2204}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 129  and name HG  ))
      3.600     1.600     1.600 peak  2204 spectrum    1 weight  0.10000E+01 volume  0.98174E-03 ppm1     27.012 ppm2      4.144 CV     1
 ASSI { 2206}
   (  segid "    " and resid 129  and name HD1%)
   (( segid "    " and resid 129  and name HG  ))
      3.200     1.300     1.300 peak  2206 spectrum    1 weight  0.10000E+01 volume  0.13146E-02 ppm1     27.012 ppm2      0.732 CV     1
 ASSI { 2212}
   (( segid "    " and resid 132  and name HD1 ))
   (( segid "    " and resid 132  and name HB2 ))
      4.800     2.900     1.200 peak  2212 spectrum    1 weight  0.10000E+01 volume  0.26123E-03 ppm1     32.367 ppm2      3.661 CV     1
 OR { 2212}
   (( segid "    " and resid 132  and name HD2 ))
   (( segid "    " and resid 132  and name HB1 ))
 OR { 2212}
   (( segid "    " and resid 132  and name HD2 ))
   (( segid "    " and resid 132  and name HB2 ))
 OR { 2212}
   (( segid "    " and resid 132  and name HD1 ))
   (( segid "    " and resid 132  and name HB1 ))
 ASSI { 1600}
   (( segid "    " and resid 74   and name HB1 ))
   (  segid "    " and resid 74   and name HD2%)
      3.200     1.300     1.300 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.69940E-03 ppm1     23.639 ppm2      1.096 CV     1
 ASSI { 1604}
   (( segid "    " and resid 3    and name HG2 ))
   (( segid "    " and resid 74   and name HG  ))
      5.100     3.300     0.900 peak  1604 spectrum    1 weight  0.10000E+01 volume  0.27387E-03 ppm1     27.355 ppm2      2.164 CV     1
 ASSI { 1605}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HG  ))
      3.400     1.500     1.500 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.78370E-03 ppm1     27.355 ppm2      1.097 CV     1
 ASSI { 1606}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HG  ))
      3.300     1.400     1.400 peak  1606 spectrum    1 weight  0.10000E+01 volume  0.48875E-03 ppm1     27.355 ppm2      1.582 CV     1
 ASSI { 1607}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 74   and name HG  ))
      2.900     1.000     1.000 peak  1607 spectrum    1 weight  0.10000E+01 volume  0.13778E-02 ppm1     27.355 ppm2      0.654 CV     1
 ASSI { 1608}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 74   and name HG  ))
      2.900     1.000     1.000 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.14916E-02 ppm1     27.355 ppm2      0.695 CV     1
 ASSI { 1611}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 75   and name HA  ))
      3.500     1.600     1.600 peak  1611 spectrum    1 weight  0.10000E+01 volume  0.40870E-03 ppm1     59.816 ppm2      1.490 CV     1
 ASSI { 1620}
   (( segid "    " and resid 89   and name HB2 ))
   (  segid "    " and resid 75   and name HD1%)
      4.300     2.300     1.700 peak  1620 spectrum    1 weight  0.10000E+01 volume  0.29072E-03 ppm1     15.565 ppm2      1.843 CV     1
 OR { 1620}
   (( segid "    " and resid 89   and name HB1 ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 1624}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      6.000     4.600     0.000 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.11798E-03 ppm1     15.565 ppm2      8.716 CV     1
 ASSI { 1626}
   (( segid "    " and resid 75   and name HB  ))
   (  segid "    " and resid 75   and name HD1%)
      3.000     1.100     1.100 peak  1626 spectrum    1 weight  0.10000E+01 volume  0.14873E-02 ppm1     15.565 ppm2      1.495 CV     1
 ASSI { 1627}
   (  segid "    " and resid 75   and name HG2%)
   (  segid "    " and resid 75   and name HD1%)
      2.200     0.600     0.600 peak  1627 spectrum    1 weight  0.10000E+01 volume  0.88859E-02 ppm1     15.565 ppm2      0.697 CV     1
 ASSI { 1630}
   (( segid "    " and resid 88   and name HB1 ))
   (  segid "    " and resid 75   and name HG2%)
      5.500     3.800     0.500 peak  1630 spectrum    1 weight  0.10000E+01 volume  0.12219E-03 ppm1     19.540 ppm2      1.328 CV     1
 ASSI { 1634}
   (( segid "    " and resid 75   and name HB  ))
   (  segid "    " and resid 75   and name HG2%)
      2.900     1.000     1.000 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.14536E-02 ppm1     19.540 ppm2      1.492 CV     1
 ASSI { 1646}
   (( segid "    " and resid 78   and name HB2 ))
   (  segid "    " and resid 76   and name HG2%)
      4.600     2.700     1.400 peak  1646 spectrum    1 weight  0.10000E+01 volume  0.63204E-04 ppm1     21.120 ppm2      1.833 CV     1
 OR { 1646}
   (( segid "    " and resid 78   and name HB1 ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI { 1647}
   (( segid "    " and resid 1    and name HG2 ))
   (  segid "    " and resid 76   and name HG2%)
      4.800     2.900     1.200 peak  1647 spectrum    1 weight  0.10000E+01 volume  0.32443E-03 ppm1     21.120 ppm2      2.203 CV     1
 ASSI { 1649}
   (( segid "    " and resid 2    and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      4.600     2.600     1.400 peak  1649 spectrum    1 weight  0.10000E+01 volume  0.27387E-03 ppm1     21.120 ppm2      8.730 CV     1
 ASSI { 1659}
   (( segid "    " and resid 77   and name HB  ))
   (( segid "    " and resid 77   and name HA  ))
      3.500     1.500     1.500 peak  1659 spectrum    1 weight  0.10000E+01 volume  0.57302E-03 ppm1     60.668 ppm2      2.331 CV     1
 ASSI { 1660}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 77   and name HA  ))
      3.900     1.900     1.900 peak  1660 spectrum    1 weight  0.10000E+01 volume  0.80474E-03 ppm1     60.668 ppm2      0.822 CV     1
 ASSI { 1664}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 77   and name HB  ))
      3.300     1.300     1.300 peak  1664 spectrum    1 weight  0.10000E+01 volume  0.83848E-03 ppm1     34.564 ppm2      0.820 CV     1
 ASSI { 1665}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 77   and name HB  ))
      3.300     1.300     1.300 peak  1665 spectrum    1 weight  0.10000E+01 volume  0.92695E-03 ppm1     34.564 ppm2      0.904 CV     1
 ASSI { 1671}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 77   and name HG1%)
      4.600     2.700     1.400 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.29494E-03 ppm1     20.706 ppm2      3.710 CV     1
 ASSI { 1674}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 77   and name HG1%)
      4.600     2.600     1.400 peak  1674 spectrum    1 weight  0.10000E+01 volume  0.38342E-03 ppm1     20.706 ppm2      8.542 CV     1
 ASSI { 1677}
   (  segid "    " and resid 77   and name HG2%)
   (  segid "    " and resid 77   and name HG1%)
      1.900     0.400     0.400 peak  1677 spectrum    1 weight  0.10000E+01 volume  0.32372E-01 ppm1     20.706 ppm2      0.905 CV     1
 ASSI { 1684}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.900     1.900     1.900 peak  1684 spectrum    1 weight  0.10000E+01 volume  0.45083E-03 ppm1     55.105 ppm2      8.730 CV     1
 ASSI { 1685}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 78   and name HA  ))
      3.900     1.900     1.900 peak  1685 spectrum    1 weight  0.10000E+01 volume  0.48033E-03 ppm1     55.105 ppm2      2.056 CV     1
 OR { 1685}
   (( segid "    " and resid 78   and name HG1 ))
   (( segid "    " and resid 78   and name HA  ))
 ASSI { 1688}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 78   and name HB2 ))
      2.500     0.800     0.800 peak  1688 spectrum    1 weight  0.10000E+01 volume  0.57176E-02 ppm1     31.146 ppm2      2.058 CV     1
 OR { 1688}
   (( segid "    " and resid 78   and name HG1 ))
   (( segid "    " and resid 78   and name HB1 ))
 OR { 1688}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 78   and name HB1 ))
 OR { 1688}
   (( segid "    " and resid 78   and name HG1 ))
   (( segid "    " and resid 78   and name HB2 ))
 ASSI { 1690}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 78   and name HG1 ))
      4.400     2.400     1.600 peak  1690 spectrum    1 weight  0.10000E+01 volume  0.67836E-03 ppm1     36.171 ppm2      0.895 CV     1
 OR { 1690}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 78   and name HG2 ))
 ASSI { 1696}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HA  ))
      4.200     2.200     1.800 peak  1696 spectrum    1 weight  0.10000E+01 volume  0.35393E-03 ppm1     56.840 ppm2      2.653 CV     1
 ASSI { 9508}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 35   and name HB% )
      2.300     2.300     3.700 peak  9508 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     18.216 ppm2      7.945 CV     1
 ASSI { 9509}
   (( segid "    " and resid 41   and name HG11))
   (( segid "    " and resid 42   and name HG1 ))
      3.100     3.100     2.900 peak  9509 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     32.000 ppm2      0.929 CV     1
 ASSI {  461}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      4.400     2.400     1.600 peak   461 spectrum    1 weight  0.10000E+01 volume  0.35814E-03 ppm1     54.898 ppm2      7.910 CV     1
 ASSI {  465}
   (  segid "    " and resid 16   and name HE% )
   (( segid "    " and resid 16   and name HZ  ))
      3.400     1.400     1.400 peak   465 spectrum    1 weight  0.10000E+01 volume  0.78370E-03 ppm1    128.801 ppm2      6.834 CV     1
 ASSI {  469}
   (( segid "    " and resid 100  and name HN  ))
   (  segid "    " and resid 16   and name HE% )
      3.400     1.400     1.400 peak   469 spectrum    1 weight  0.10000E+01 volume  0.10154E-02 ppm1    130.671 ppm2      6.952 CV     1
 ASSI {  471}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.900     1.900     1.900 peak   471 spectrum    1 weight  0.10000E+01 volume  0.13272E-02 ppm1     58.910 ppm2      7.950 CV     1
 ASSI {  474}
   (  segid "    " and resid 8    and name HG2%)
   (  segid "    " and resid 18   and name HE% )
      4.000     2.000     2.000 peak   474 spectrum    1 weight  0.10000E+01 volume  0.40449E-03 ppm1    132.337 ppm2      0.604 CV     1
 ASSI {  475}
   (( segid "    " and resid 101  and name HB2 ))
   (  segid "    " and resid 18   and name HE% )
      5.700     4.000     0.300 peak   475 spectrum    1 weight  0.10000E+01 volume  0.15168E-03 ppm1    132.337 ppm2      1.085 CV     1
 ASSI {  477}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 64   and name HZ2 ))
      4.900     2.900     1.100 peak   477 spectrum    1 weight  0.10000E+01 volume  0.17696E-03 ppm1    132.337 ppm2      3.169 CV     1
 ASSI {  478}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 18   and name HE% )
      4.500     2.600     1.500 peak   478 spectrum    1 weight  0.10000E+01 volume  0.53089E-03 ppm1    132.337 ppm2      4.020 CV     1
 ASSI {  484}
   (( segid "    " and resid 101  and name HD2 ))
   (  segid "    " and resid 13   and name HD% )
      3.400     1.500     1.500 peak   484 spectrum    1 weight  0.10000E+01 volume  0.37499E-03 ppm1     25.644 ppm2      3.024 CV     1
 ASSI {  485}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 64   and name HZ3 ))
      3.700     1.700     1.700 peak   485 spectrum    1 weight  0.10000E+01 volume  0.41712E-03 ppm1     25.644 ppm2      3.165 CV     1
 ASSI {  499}
   (( segid "    " and resid 101  and name HD2 ))
   (  segid "    " and resid 13   and name HE% )
      4.000     2.000     2.000 peak   499 spectrum    1 weight  0.10000E+01 volume  0.15168E-03 ppm1    117.849 ppm2      3.081 CV     1
 ASSI { 1701}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HB1 ))
      4.300     2.300     1.700 peak  1701 spectrum    1 weight  0.10000E+01 volume  0.21067E-03 ppm1     40.979 ppm2      4.389 CV     1
 ASSI { 1702}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 82   and name HB2 ))
      2.100     0.500     0.500 peak  1702 spectrum    1 weight  0.10000E+01 volume  0.76347E-02 ppm1     40.979 ppm2      2.550 CV     1
 ASSI { 1705}
   (  segid "    " and resid 88   and name HD2%)
   (( segid "    " and resid 84   and name HA  ))
      3.800     1.800     1.800 peak  1705 spectrum    1 weight  0.10000E+01 volume  0.22331E-03 ppm1     55.738 ppm2      0.865 CV     1
 ASSI { 1707}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 84   and name HA  ))
      5.000     3.100     1.000 peak  1707 spectrum    1 weight  0.10000E+01 volume  0.21488E-03 ppm1     55.738 ppm2      1.775 CV     1
 ASSI { 1712}
   (  segid "    " and resid 2    and name HD1%)
   (  segid "    " and resid 84   and name HB% )
      3.800     1.800     1.800 peak  1712 spectrum    1 weight  0.10000E+01 volume  0.77946E-03 ppm1     18.795 ppm2      0.773 CV     1
 OR { 1712}
   (  segid "    " and resid 2    and name HD2%)
   (  segid "    " and resid 84   and name HB% )
 ASSI { 1713}
   (  segid "    " and resid 77   and name HG2%)
   (  segid "    " and resid 84   and name HB% )
      3.600     1.600     1.600 peak  1713 spectrum    1 weight  0.10000E+01 volume  0.63621E-03 ppm1     18.793 ppm2      0.863 CV     1
 OR { 1713}
   (  segid "    " and resid 77   and name HG1%)
   (  segid "    " and resid 84   and name HB% )
 ASSI { 1714}
   (( segid "    " and resid 2    and name HB2 ))
   (  segid "    " and resid 84   and name HB% )
      3.200     3.200     2.800 peak  1714 spectrum    1 weight  0.10000E+01 volume  0.22921E-02 ppm1     18.794 ppm2      1.461 CV     1
 OR { 1714}
   (( segid "    " and resid 2    and name HB1 ))
   (  segid "    " and resid 84   and name HB% )
 ASSI { 1717}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 85   and name HA  ))
      3.900     1.900     1.900 peak  1717 spectrum    1 weight  0.10000E+01 volume  0.64885E-03 ppm1     59.910 ppm2      0.749 CV     1
 ASSI { 1718}
   (( segid "    " and resid 85   and name HB1 ))
   (( segid "    " and resid 85   and name HA  ))
      3.300     1.300     1.300 peak  1718 spectrum    1 weight  0.10000E+01 volume  0.87216E-03 ppm1     59.910 ppm2      1.886 CV     1
 ASSI { 1721}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 85   and name HA  ))
      3.100     1.200     1.200 peak  1721 spectrum    1 weight  0.10000E+01 volume  0.11124E-02 ppm1     59.910 ppm2      1.976 CV     1
 ASSI { 1722}
   (( segid "    " and resid 85   and name HG1 ))
   (( segid "    " and resid 85   and name HA  ))
      3.800     1.800     1.800 peak  1722 spectrum    1 weight  0.10000E+01 volume  0.72050E-03 ppm1     59.910 ppm2      2.030 CV     1
 OR { 1722}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 85   and name HA  ))
 ASSI { 1724}
   (( segid "    " and resid 77   and name HB  ))
   (( segid "    " and resid 85   and name HB2 ))
      3.100     3.100     2.900 peak  1724 spectrum    1 weight  0.10000E+01 volume  0.35729E-02 ppm1     29.315 ppm2      2.335 CV     1
 ASSI { 1727}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HB1 ))
      4.400     2.500     1.600 peak  1727 spectrum    1 weight  0.10000E+01 volume  0.71204E-03 ppm1     29.315 ppm2      7.747 CV     1
 ASSI { 1729}
   (( segid "    " and resid 85   and name HG1 ))
   (( segid "    " and resid 85   and name HB2 ))
      1.900     0.400     0.400 peak  1729 spectrum    1 weight  0.10000E+01 volume  0.34087E-01 ppm1     29.315 ppm2      2.029 CV     1
 OR { 1729}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 85   and name HB2 ))
 ASSI { 1731}
   (( segid "    " and resid 86   and name HB1 ))
   (( segid "    " and resid 86   and name HA  ))
      3.400     1.400     1.400 peak  1731 spectrum    1 weight  0.10000E+01 volume  0.11671E-02 ppm1     57.495 ppm2      1.570 CV     1
 ASSI { 1732}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 86   and name HA  ))
      2.700     0.900     0.900 peak  1732 spectrum    1 weight  0.10000E+01 volume  0.27008E-02 ppm1     57.495 ppm2      1.771 CV     1
 ASSI { 1733}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 86   and name HA  ))
      3.200     1.200     1.200 peak  1733 spectrum    1 weight  0.10000E+01 volume  0.14368E-02 ppm1     57.495 ppm2      0.819 CV     1
 ASSI { 1734}
   (  segid "    " and resid 86   and name HD2%)
   (( segid "    " and resid 86   and name HA  ))
      3.500     1.500     1.500 peak  1734 spectrum    1 weight  0.10000E+01 volume  0.13062E-02 ppm1     57.495 ppm2      0.871 CV     1
 ASSI { 1735}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      4.000     2.000     2.000 peak  1735 spectrum    1 weight  0.10000E+01 volume  0.46768E-03 ppm1     57.495 ppm2      8.168 CV     1
 ASSI { 1737}
   (( segid "    " and resid 89   and name HG2 ))
   (( segid "    " and resid 86   and name HB2 ))
      4.100     2.100     1.900 peak  1737 spectrum    1 weight  0.10000E+01 volume  0.71204E-03 ppm1     41.846 ppm2      1.356 CV     1
 OR { 1737}
   (( segid "    " and resid 89   and name HG1 ))
   (( segid "    " and resid 86   and name HB2 ))
 ASSI { 1738}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 86   and name HB2 ))
      5.100     3.200     0.900 peak  1738 spectrum    1 weight  0.10000E+01 volume  0.22331E-03 ppm1     41.844 ppm2      3.685 CV     1
 ASSI { 1739}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 87   and name HB1 ))
      4.600     2.600     1.400 peak  1739 spectrum    1 weight  0.10000E+01 volume  0.26123E-03 ppm1     41.846 ppm2      8.136 CV     1
 ASSI { 1741}
   (( segid "    " and resid 86   and name HB1 ))
   (( segid "    " and resid 86   and name HB2 ))
      2.300     0.600     0.600 peak  1741 spectrum    1 weight  0.10000E+01 volume  0.30715E-02 ppm1     41.844 ppm2      1.569 CV     1
 ASSI { 1743}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 86   and name HB1 ))
      3.200     1.300     1.300 peak  1743 spectrum    1 weight  0.10000E+01 volume  0.21278E-02 ppm1     41.846 ppm2      0.819 CV     1
 ASSI { 1745}
   (  segid "    " and resid 86   and name HD2%)
   (( segid "    " and resid 86   and name HB1 ))
      3.000     1.100     1.100 peak  1745 spectrum    1 weight  0.10000E+01 volume  0.20140E-02 ppm1     41.847 ppm2      0.872 CV     1
 ASSI { 1753}
   (( segid "    " and resid 86   and name HB2 ))
   (  segid "    " and resid 86   and name HD1%)
      3.100     1.200     1.200 peak  1753 spectrum    1 weight  0.10000E+01 volume  0.15548E-02 ppm1     24.579 ppm2      1.768 CV     1
 ASSI { 1754}
   (  segid "    " and resid 86   and name HD2%)
   (  segid "    " and resid 86   and name HD1%)
      1.400     0.200     0.800 peak  1754 spectrum    1 weight  0.10000E+01 volume  0.23175E+00 ppm1     24.579 ppm2      0.871 CV     1
 ASSI { 1755}
   (( segid "    " and resid 85   and name HB1 ))
   (  segid "    " and resid 86   and name HD2%)
      3.900     3.900     2.100 peak  1755 spectrum    1 weight  0.10000E+01 volume  0.12514E-02 ppm1     24.579 ppm2      1.863 CV     1
 ASSI { 1761}
   (( segid "    " and resid 86   and name HB2 ))
   (  segid "    " and resid 86   and name HD2%)
      3.100     1.200     1.200 peak  1761 spectrum    1 weight  0.10000E+01 volume  0.20856E-02 ppm1     24.579 ppm2      1.769 CV     1
 ASSI { 1765}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 87   and name HA  ))
      3.300     1.400     1.400 peak  1765 spectrum    1 weight  0.10000E+01 volume  0.12387E-02 ppm1     59.915 ppm2      1.757 CV     1
 ASSI { 1766}
   (( segid "    " and resid 87   and name HG2 ))
   (( segid "    " and resid 87   and name HA  ))
      3.400     1.400     1.400 peak  1766 spectrum    1 weight  0.10000E+01 volume  0.83001E-03 ppm1     59.915 ppm2      1.448 CV     1
 OR { 1766}
   (( segid "    " and resid 87   and name HG1 ))
   (( segid "    " and resid 87   and name HA  ))
 ASSI { 1769}
   (( segid "    " and resid 87   and name HD2 ))
   (( segid "    " and resid 87   and name HB1 ))
      2.200     0.600     0.600 peak  1769 spectrum    1 weight  0.10000E+01 volume  0.13373E-01 ppm1     33.581 ppm2      1.660 CV     1
 OR { 1769}
   (( segid "    " and resid 87   and name HD1 ))
   (( segid "    " and resid 87   and name HB1 ))
 ASSI { 1771}
   (( segid "    " and resid 87   and name HD2 ))
   (( segid "    " and resid 87   and name HE1 ))
      2.700     0.900     0.900 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.34128E-02 ppm1     41.908 ppm2      1.662 CV     1
 OR { 1771}
   (( segid "    " and resid 87   and name HD2 ))
   (( segid "    " and resid 87   and name HE2 ))
 OR { 1771}
   (( segid "    " and resid 87   and name HD1 ))
   (( segid "    " and resid 87   and name HE1 ))
 OR { 1771}
   (( segid "    " and resid 87   and name HD1 ))
   (( segid "    " and resid 87   and name HE2 ))
 ASSI { 1772}
   (( segid "    " and resid 87   and name HG2 ))
   (( segid "    " and resid 87   and name HE2 ))
      3.100     1.200     1.200 peak  1772 spectrum    1 weight  0.10000E+01 volume  0.20899E-02 ppm1     41.908 ppm2      1.450 CV     1
 OR { 1772}
   (( segid "    " and resid 87   and name HG2 ))
   (( segid "    " and resid 87   and name HE1 ))
 OR { 1772}
   (( segid "    " and resid 87   and name HG1 ))
   (( segid "    " and resid 87   and name HE2 ))
 OR { 1772}
   (( segid "    " and resid 87   and name HG1 ))
   (( segid "    " and resid 87   and name HE1 ))
 ASSI { 1773}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 87   and name HG1 ))
      2.600     0.800     0.800 peak  1773 spectrum    1 weight  0.10000E+01 volume  0.30294E-02 ppm1     24.751 ppm2      1.757 CV     1
 OR { 1773}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 87   and name HG2 ))
 ASSI { 1774}
   (( segid "    " and resid 87   and name HD1 ))
   (( segid "    " and resid 87   and name HG1 ))
      2.200     0.600     0.600 peak  1774 spectrum    1 weight  0.10000E+01 volume  0.11132E-01 ppm1     24.751 ppm2      1.661 CV     1
 OR { 1774}
   (( segid "    " and resid 87   and name HD2 ))
   (( segid "    " and resid 87   and name HG2 ))
 OR { 1774}
   (( segid "    " and resid 87   and name HD2 ))
   (( segid "    " and resid 87   and name HG1 ))
 OR { 1774}
   (( segid "    " and resid 87   and name HD1 ))
   (( segid "    " and resid 87   and name HG2 ))
 ASSI { 1776}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      5.600     3.900     0.400 peak  1776 spectrum    1 weight  0.10000E+01 volume  0.37078E-03 ppm1     57.890 ppm2      7.953 CV     1
 ASSI { 1779}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 88   and name HA  ))
      2.800     1.000     1.000 peak  1779 spectrum    1 weight  0.10000E+01 volume  0.21657E-02 ppm1     57.890 ppm2      1.732 CV     1
 ASSI { 1780}
   (  segid "    " and resid 88   and name HD1%)
   (( segid "    " and resid 88   and name HA  ))
      3.600     1.700     1.700 peak  1780 spectrum    1 weight  0.10000E+01 volume  0.13778E-02 ppm1     57.890 ppm2      0.819 CV     1
 ASSI { 1781}
   (  segid "    " and resid 88   and name HD2%)
   (( segid "    " and resid 88   and name HA  ))
      3.800     1.800     1.800 peak  1781 spectrum    1 weight  0.10000E+01 volume  0.12640E-02 ppm1     57.890 ppm2      0.874 CV     1
 ASSI { 1782}
   (( segid "    " and resid 88   and name HG  ))
   (( segid "    " and resid 88   and name HA  ))
      3.600     1.600     1.600 peak  1782 spectrum    1 weight  0.10000E+01 volume  0.10871E-02 ppm1     57.890 ppm2      1.540 CV     1
 ASSI { 1786}
   (( segid "    " and resid 85   and name HB1 ))
   (( segid "    " and resid 88   and name HB1 ))
      4.600     2.600     1.400 peak  1786 spectrum    1 weight  0.10000E+01 volume  0.61937E-03 ppm1     42.146 ppm2      1.902 CV     1
 ASSI { 1788}
   (( segid "    " and resid 87   and name HG1 ))
   (( segid "    " and resid 88   and name HB2 ))
      5.200     3.400     0.800 peak  1788 spectrum    1 weight  0.10000E+01 volume  0.23173E-03 ppm1     42.146 ppm2      1.456 CV     1
 OR { 1788}
   (( segid "    " and resid 87   and name HG2 ))
   (( segid "    " and resid 88   and name HB2 ))
 ASSI { 1791}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 88   and name HB2 ))
      3.800     1.800     1.800 peak  1791 spectrum    1 weight  0.10000E+01 volume  0.40870E-03 ppm1     42.149 ppm2      0.637 CV     1
 ASSI { 1794}
   (( segid "    " and resid 88   and name HB1 ))
   (( segid "    " and resid 88   and name HB2 ))
      3.000     1.200     1.200 peak  1794 spectrum    1 weight  0.10000E+01 volume  0.42976E-03 ppm1     42.146 ppm2      1.322 CV     1
 ASSI { 1795}
   (  segid "    " and resid 88   and name HD1%)
   (( segid "    " and resid 88   and name HB1 ))
      3.700     1.700     1.700 peak  1795 spectrum    1 weight  0.10000E+01 volume  0.78370E-03 ppm1     42.146 ppm2      0.820 CV     1
 ASSI {  500}
   (  segid "    " and resid 124  and name HD% )
   (  segid "    " and resid 124  and name HE% )
      2.800     0.900     0.900 peak   500 spectrum    1 weight  0.10000E+01 volume  0.31348E-02 ppm1     45.806 ppm2      7.038 CV     1
 ASSI {  502}
   (( segid "    " and resid 125  and name HE  ))
   (( segid "    " and resid 128  and name HD21))
      4.200     2.200     1.800 peak   502 spectrum    1 weight  0.10000E+01 volume  0.12219E-03 ppm1     46.036 ppm2      7.128 CV     1
 ASSI {  506}
   (( segid "    " and resid 1    and name HB1 ))
   (( segid "    " and resid 1    and name HA  ))
      3.600     1.600     1.600 peak   506 spectrum    1 weight  0.10000E+01 volume  0.56038E-03 ppm1     55.049 ppm2      1.913 CV     1
 ASSI {  507}
   (( segid "    " and resid 1    and name HB2 ))
   (( segid "    " and resid 1    and name HA  ))
      3.500     1.500     1.500 peak   507 spectrum    1 weight  0.10000E+01 volume  0.50982E-03 ppm1     55.049 ppm2      1.947 CV     1
 ASSI {  508}
   (( segid "    " and resid 1    and name HG1 ))
   (( segid "    " and resid 1    and name HA  ))
      4.500     2.500     1.500 peak   508 spectrum    1 weight  0.10000E+01 volume  0.55617E-03 ppm1     55.049 ppm2      2.055 CV     1
 ASSI {  509}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 1    and name HB1 ))
      3.700     3.700     2.300 peak   509 spectrum    1 weight  0.10000E+01 volume  0.22837E-02 ppm1     30.905 ppm2      0.816 CV     1
 ASSI {  511}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 1    and name HB2 ))
      3.200     1.300     1.300 peak   511 spectrum    1 weight  0.10000E+01 volume  0.21235E-02 ppm1     30.905 ppm2      0.817 CV     1
 ASSI {  515}
   (( segid "    " and resid 1    and name HG1 ))
   (( segid "    " and resid 1    and name HB1 ))
      2.300     0.600     0.600 peak   515 spectrum    1 weight  0.10000E+01 volume  0.13247E-01 ppm1     30.905 ppm2      2.053 CV     1
 ASSI {  516}
   (( segid "    " and resid 1    and name HG1 ))
   (( segid "    " and resid 1    and name HB2 ))
      1.800     0.400     0.400 peak   516 spectrum    1 weight  0.10000E+01 volume  0.15881E-01 ppm1     30.905 ppm2      2.054 CV     1
 ASSI {  517}
   (( segid "    " and resid 1    and name HG2 ))
   (( segid "    " and resid 1    and name HB1 ))
      2.500     0.800     0.800 peak   517 spectrum    1 weight  0.10000E+01 volume  0.49802E-02 ppm1     30.905 ppm2      2.208 CV     1
 ASSI {  518}
   (( segid "    " and resid 1    and name HG2 ))
   (( segid "    " and resid 1    and name HB2 ))
      2.700     0.900     0.900 peak   518 spectrum    1 weight  0.10000E+01 volume  0.49128E-02 ppm1     30.905 ppm2      2.210 CV     1
 ASSI {  520}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 1    and name HG2 ))
      4.900     3.000     1.100 peak   520 spectrum    1 weight  0.10000E+01 volume  0.23173E-03 ppm1     34.518 ppm2      5.085 CV     1
 ASSI {  521}
   (( segid "    " and resid 1    and name HB2 ))
   (( segid "    " and resid 1    and name HG1 ))
      2.900     1.000     1.000 peak   521 spectrum    1 weight  0.10000E+01 volume  0.14957E-02 ppm1     34.518 ppm2      1.919 CV     1
 OR {  521}
   (( segid "    " and resid 1    and name HB1 ))
   (( segid "    " and resid 1    and name HG1 ))
 ASSI {  522}
   (( segid "    " and resid 1    and name HB1 ))
   (( segid "    " and resid 1    and name HG2 ))
      3.200     1.300     1.300 peak   522 spectrum    1 weight  0.10000E+01 volume  0.12640E-02 ppm1     34.518 ppm2      1.921 CV     1
 OR {  522}
   (( segid "    " and resid 1    and name HB2 ))
   (( segid "    " and resid 1    and name HG2 ))
 ASSI {  523}
   (( segid "    " and resid 1    and name HG1 ))
   (( segid "    " and resid 1    and name HG2 ))
      2.200     0.600     0.600 peak   523 spectrum    1 weight  0.10000E+01 volume  0.38131E-02 ppm1     34.518 ppm2      2.053 CV     1
 ASSI {  525}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 2    and name HB2 ))
      3.500     1.500     1.500 peak   525 spectrum    1 weight  0.10000E+01 volume  0.83001E-03 ppm1     45.403 ppm2      0.732 CV     1
 OR {  525}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 2    and name HB1 ))
 ASSI {  526}
   (  segid "    " and resid 2    and name HD2%)
   (( segid "    " and resid 2    and name HB1 ))
      3.400     1.400     1.400 peak   526 spectrum    1 weight  0.10000E+01 volume  0.10112E-02 ppm1     45.403 ppm2      0.851 CV     1
 OR {  526}
   (  segid "    " and resid 2    and name HD2%)
   (( segid "    " and resid 2    and name HB2 ))
 ASSI {  533}
   (( segid "    " and resid 4    and name HG1 ))
   (  segid "    " and resid 2    and name HD1%)
      3.500     1.500     1.500 peak   533 spectrum    1 weight  0.10000E+01 volume  0.89744E-03 ppm1     24.099 ppm2      2.055 CV     1
 ASSI {  534}
   (( segid "    " and resid 4    and name HG2 ))
   (  segid "    " and resid 2    and name HD1%)
      3.300     1.400     1.400 peak   534 spectrum    1 weight  0.10000E+01 volume  0.90167E-03 ppm1     24.099 ppm2      2.101 CV     1
 ASSI {  536}
   (( segid "    " and resid 3    and name HB2 ))
   (  segid "    " and resid 2    and name HD2%)
      3.500     1.600     1.600 peak   536 spectrum    1 weight  0.10000E+01 volume  0.16854E-02 ppm1     24.099 ppm2      1.868 CV     1
 ASSI {  537}
   (( segid "    " and resid 3    and name HG1 ))
   (  segid "    " and resid 2    and name HD2%)
      4.100     2.100     1.900 peak   537 spectrum    1 weight  0.10000E+01 volume  0.85952E-03 ppm1     24.099 ppm2      1.996 CV     1
 ASSI {  539}
   (( segid "    " and resid 4    and name HG1 ))
   (  segid "    " and resid 2    and name HD2%)
      3.500     1.500     1.500 peak   539 spectrum    1 weight  0.10000E+01 volume  0.11798E-02 ppm1     24.099 ppm2      2.054 CV     1
 ASSI {  540}
   (( segid "    " and resid 4    and name HG2 ))
   (  segid "    " and resid 2    and name HD2%)
      3.500     1.500     1.500 peak   540 spectrum    1 weight  0.10000E+01 volume  0.11292E-02 ppm1     24.098 ppm2      2.101 CV     1
 ASSI {  541}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 2    and name HG  ))
      3.300     1.400     1.400 peak   541 spectrum    1 weight  0.10000E+01 volume  0.94382E-03 ppm1     27.205 ppm2      0.741 CV     1
 ASSI {  542}
   (  segid "    " and resid 2    and name HD2%)
   (( segid "    " and resid 2    and name HG  ))
      3.100     1.200     1.200 peak   542 spectrum    1 weight  0.10000E+01 volume  0.13314E-02 ppm1     27.205 ppm2      0.851 CV     1
 ASSI {  552}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 3    and name HB1 ))
      3.200     1.300     1.300 peak   552 spectrum    1 weight  0.10000E+01 volume  0.55195E-03 ppm1     33.694 ppm2      0.922 CV     1
 ASSI {  553}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 3    and name HB1 ))
      3.100     3.100     2.900 peak   553 spectrum    1 weight  0.10000E+01 volume  0.53594E-02 ppm1     33.694 ppm2      1.611 CV     1
 ASSI {  555}
   (( segid "    " and resid 1    and name HG1 ))
   (( segid "    " and resid 3    and name HB1 ))
      3.700     1.700     1.700 peak   555 spectrum    1 weight  0.10000E+01 volume  0.13146E-02 ppm1     33.694 ppm2      2.061 CV     1
 ASSI {  561}
   (( segid "    " and resid 3    and name HG1 ))
   (( segid "    " and resid 3    and name HB1 ))
      3.500     1.500     1.500 peak   561 spectrum    1 weight  0.10000E+01 volume  0.11544E-02 ppm1     33.694 ppm2      1.999 CV     1
 ASSI {  562}
   (( segid "    " and resid 3    and name HG1 ))
   (( segid "    " and resid 3    and name HB2 ))
      2.400     0.700     0.700 peak   562 spectrum    1 weight  0.10000E+01 volume  0.36025E-02 ppm1     33.694 ppm2      1.999 CV     1
 ASSI {  563}
   (( segid "    " and resid 3    and name HG2 ))
   (( segid "    " and resid 3    and name HB1 ))
      3.000     1.100     1.100 peak   563 spectrum    1 weight  0.10000E+01 volume  0.95223E-03 ppm1     33.694 ppm2      2.140 CV     1
 ASSI {  573}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 3    and name HG2 ))
      3.400     1.400     1.400 peak   573 spectrum    1 weight  0.10000E+01 volume  0.15042E-02 ppm1     33.379 ppm2      1.898 CV     1
 ASSI {  575}
   (( segid "    " and resid 3    and name HG2 ))
   (( segid "    " and resid 3    and name HG1 ))
      1.900     0.400     0.400 peak   575 spectrum    1 weight  0.10000E+01 volume  0.10622E-01 ppm1     33.379 ppm2      2.139 CV     1
 ASSI {  582}
   (  segid "    " and resid 92   and name HG2%)
   (( segid "    " and resid 4    and name HB2 ))
      3.400     3.400     2.600 peak   582 spectrum    1 weight  0.10000E+01 volume  0.42555E-03 ppm1     34.413 ppm2      0.913 CV     1
 ASSI {  585}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB2 ))
      4.600     2.600     1.400 peak   585 spectrum    1 weight  0.10000E+01 volume  0.24438E-03 ppm1     34.413 ppm2      4.549 CV     1
 ASSI {  586}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HB2 ))
      2.400     0.700     0.700 peak   586 spectrum    1 weight  0.10000E+01 volume  0.20772E-02 ppm1     34.413 ppm2      1.577 CV     1
 ASSI {  588}
   (( segid "    " and resid 4    and name HG1 ))
   (( segid "    " and resid 4    and name HB2 ))
      3.000     1.100     1.100 peak   588 spectrum    1 weight  0.10000E+01 volume  0.88057E-03 ppm1     34.413 ppm2      2.054 CV     1
 ASSI {  589}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 4    and name HB1 ))
      3.500     1.500     1.500 peak   589 spectrum    1 weight  0.10000E+01 volume  0.60673E-03 ppm1     34.413 ppm2      2.101 CV     1
 ASSI {  590}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 4    and name HB2 ))
      3.700     1.700     1.700 peak   590 spectrum    1 weight  0.10000E+01 volume  0.91431E-03 ppm1     34.413 ppm2      2.101 CV     1
 ASSI {  593}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HA  ))
      4.300     2.300     1.700 peak   593 spectrum    1 weight  0.10000E+01 volume  0.29072E-03 ppm1     54.811 ppm2      1.335 CV     1
 ASSI {  594}
   (( segid "    " and resid 5    and name HG1 ))
   (( segid "    " and resid 5    and name HA  ))
      3.500     1.500     1.500 peak   594 spectrum    1 weight  0.10000E+01 volume  0.39185E-03 ppm1     54.811 ppm2      0.705 CV     1
 ASSI {  596}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HB2 ))
      2.400     0.700     0.700 peak   596 spectrum    1 weight  0.10000E+01 volume  0.17654E-02 ppm1     34.977 ppm2      1.062 CV     1
 ASSI {  599}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 5    and name HB2 ))
      3.400     1.400     1.400 peak   599 spectrum    1 weight  0.10000E+01 volume  0.78793E-03 ppm1     34.977 ppm2      1.005 CV     1
 ASSI { 6360}
   (( segid "    " and resid 101  and name HD1 ))
   (  segid "    " and resid 8    and name HG1%)
      2.300     2.300     3.700 peak  6360 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     21.769 ppm2      2.863 CV     1
 ASSI { 6361}
   (( segid "    " and resid 8    and name HB  ))
   (  segid "    " and resid 8    and name HG1%)
      2.600     0.800     0.800 peak  6361 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     21.769 ppm2      1.534 CV     1
 ASSI { 6363}
   (  segid "    " and resid 100  and name HG1%)
   (  segid "    " and resid 8    and name HG1%)
      3.800     1.800     1.800 peak  6363 spectrum    1 weight  0.10000E+01 volume  0.21067E-03 ppm1     21.769 ppm2      0.780 CV     1
 ASSI { 6365}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 8    and name HG1%)
      2.600     0.900     0.900 peak  6365 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     21.769 ppm2      3.931 CV     1
 ASSI { 1800}
   (( segid "    " and resid 88   and name HB2 ))
   (  segid "    " and resid 88   and name HD1%)
      2.600     0.800     0.800 peak  1800 spectrum    1 weight  0.10000E+01 volume  0.33918E-02 ppm1     24.111 ppm2      1.733 CV     1
 ASSI { 1801}
   (  segid "    " and resid 88   and name HD2%)
   (  segid "    " and resid 88   and name HD1%)
      1.300     0.200     0.900 peak  1801 spectrum    1 weight  0.10000E+01 volume  0.33435E+00 ppm1     24.111 ppm2      0.873 CV     1
 ASSI { 1802}
   (( segid "    " and resid 88   and name HG  ))
   (  segid "    " and resid 88   and name HD1%)
      2.800     0.900     0.900 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.22879E-02 ppm1     24.111 ppm2      1.539 CV     1
 ASSI { 1804}
   (( segid "    " and resid 88   and name HB2 ))
   (  segid "    " and resid 88   and name HD2%)
      2.900     1.000     1.000 peak  1804 spectrum    1 weight  0.10000E+01 volume  0.28398E-02 ppm1     24.111 ppm2      1.732 CV     1
 ASSI { 1806}
   (( segid "    " and resid 88   and name HG  ))
   (  segid "    " and resid 88   and name HD2%)
      2.900     1.100     1.100 peak  1806 spectrum    1 weight  0.10000E+01 volume  0.15800E-02 ppm1     24.111 ppm2      1.539 CV     1
 ASSI { 1807}
   (( segid "    " and resid 85   and name HB1 ))
   (( segid "    " and resid 88   and name HG  ))
      4.200     2.200     1.800 peak  1807 spectrum    1 weight  0.10000E+01 volume  0.94799E-03 ppm1     28.982 ppm2      1.873 CV     1
 ASSI { 1809}
   (( segid "    " and resid 88   and name HB1 ))
   (( segid "    " and resid 88   and name HG  ))
      2.700     0.900     0.900 peak  1809 spectrum    1 weight  0.10000E+01 volume  0.24438E-02 ppm1     28.982 ppm2      1.322 CV     1
 ASSI { 1811}
   (  segid "    " and resid 92   and name HG1%)
   (( segid "    " and resid 89   and name HA  ))
      3.600     3.600     2.400 peak  1811 spectrum    1 weight  0.10000E+01 volume  0.58988E-03 ppm1     59.825 ppm2      0.890 CV     1
 ASSI { 1812}
   (( segid "    " and resid 4    and name HG1 ))
   (( segid "    " and resid 89   and name HA  ))
      3.700     3.700     2.300 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.12514E-02 ppm1     59.825 ppm2      2.050 CV     1
 ASSI { 1813}
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 89   and name HA  ))
      3.500     1.500     1.500 peak  1813 spectrum    1 weight  0.10000E+01 volume  0.10997E-02 ppm1     59.825 ppm2      2.154 CV     1
 ASSI { 1814}
   (( segid "    " and resid 93   and name HG1 ))
   (( segid "    " and resid 89   and name HA  ))
      3.600     1.600     1.600 peak  1814 spectrum    1 weight  0.10000E+01 volume  0.44241E-03 ppm1     59.825 ppm2      2.332 CV     1
 ASSI { 1815}
   (( segid "    " and resid 89   and name HB1 ))
   (( segid "    " and resid 89   and name HA  ))
      3.100     1.200     1.200 peak  1815 spectrum    1 weight  0.10000E+01 volume  0.12682E-02 ppm1     59.825 ppm2      1.832 CV     1
 OR { 1815}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 89   and name HA  ))
 ASSI { 1817}
   (( segid "    " and resid 89   and name HG1 ))
   (( segid "    " and resid 89   and name HA  ))
      4.700     2.800     1.300 peak  1817 spectrum    1 weight  0.10000E+01 volume  0.24859E-03 ppm1     59.825 ppm2      1.383 CV     1
 OR { 1817}
   (( segid "    " and resid 89   and name HG2 ))
   (( segid "    " and resid 89   and name HA  ))
 ASSI { 1819}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 89   and name HB2 ))
      3.900     1.900     1.900 peak  1819 spectrum    1 weight  0.10000E+01 volume  0.59408E-03 ppm1     32.517 ppm2      0.777 CV     1
 OR { 1819}
   (  segid "    " and resid 2    and name HD2%)
   (( segid "    " and resid 89   and name HB1 ))
 OR { 1819}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 89   and name HB1 ))
 ASSI { 1824}
   (( segid "    " and resid 89   and name HD2 ))
   (( segid "    " and resid 89   and name HB1 ))
      2.900     1.100     1.100 peak  1824 spectrum    1 weight  0.10000E+01 volume  0.28483E-02 ppm1     32.517 ppm2      1.607 CV     1
 OR { 1824}
   (( segid "    " and resid 89   and name HD1 ))
   (( segid "    " and resid 89   and name HB1 ))
 OR { 1824}
   (( segid "    " and resid 89   and name HD2 ))
   (( segid "    " and resid 89   and name HB2 ))
 OR { 1824}
   (( segid "    " and resid 89   and name HD1 ))
   (( segid "    " and resid 89   and name HB2 ))
 ASSI { 1827}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 89   and name HD2 ))
      4.400     2.500     1.600 peak  1827 spectrum    1 weight  0.10000E+01 volume  0.45083E-03 ppm1     29.478 ppm2      3.825 CV     1
 OR { 1827}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 89   and name HD1 ))
 ASSI { 1828}
   (( segid "    " and resid 89   and name HE2 ))
   (( segid "    " and resid 89   and name HD1 ))
      2.800     1.000     1.000 peak  1828 spectrum    1 weight  0.10000E+01 volume  0.24185E-02 ppm1     29.478 ppm2      2.885 CV     1
 OR { 1828}
   (( segid "    " and resid 89   and name HE1 ))
   (( segid "    " and resid 89   and name HD2 ))
 OR { 1828}
   (( segid "    " and resid 89   and name HE1 ))
   (( segid "    " and resid 89   and name HD1 ))
 OR { 1828}
   (( segid "    " and resid 89   and name HE2 ))
   (( segid "    " and resid 89   and name HD2 ))
 ASSI { 1829}
   (( segid "    " and resid 89   and name HG1 ))
   (( segid "    " and resid 89   and name HD1 ))
      2.100     0.500     0.500 peak  1829 spectrum    1 weight  0.10000E+01 volume  0.13853E-01 ppm1     29.478 ppm2      1.384 CV     1
 OR { 1829}
   (( segid "    " and resid 89   and name HG2 ))
   (( segid "    " and resid 89   and name HD1 ))
 OR { 1829}
   (( segid "    " and resid 89   and name HG1 ))
   (( segid "    " and resid 89   and name HD2 ))
 OR { 1829}
   (( segid "    " and resid 89   and name HG2 ))
   (( segid "    " and resid 89   and name HD2 ))
 ASSI { 1830}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 89   and name HG1 ))
      3.800     1.800     1.800 peak  1830 spectrum    1 weight  0.10000E+01 volume  0.69523E-03 ppm1     24.941 ppm2      4.068 CV     1
 OR { 1830}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 89   and name HG2 ))
 ASSI { 1832}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 89   and name HG2 ))
      2.900     1.000     1.000 peak  1832 spectrum    1 weight  0.10000E+01 volume  0.20308E-02 ppm1     24.941 ppm2      1.835 CV     1
 OR { 1832}
   (( segid "    " and resid 89   and name HB1 ))
   (( segid "    " and resid 89   and name HG2 ))
 OR { 1832}
   (( segid "    " and resid 89   and name HB1 ))
   (( segid "    " and resid 89   and name HG1 ))
 OR { 1832}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 89   and name HG1 ))
 ASSI { 1834}
   (( segid "    " and resid 89   and name HE2 ))
   (( segid "    " and resid 89   and name HG2 ))
      3.500     1.600     1.600 peak  1834 spectrum    1 weight  0.10000E+01 volume  0.96486E-03 ppm1     24.941 ppm2      2.889 CV     1
 OR { 1834}
   (( segid "    " and resid 89   and name HE1 ))
   (( segid "    " and resid 89   and name HG2 ))
 OR { 1834}
   (( segid "    " and resid 89   and name HE2 ))
   (( segid "    " and resid 89   and name HG1 ))
 OR { 1834}
   (( segid "    " and resid 89   and name HE1 ))
   (( segid "    " and resid 89   and name HG1 ))
 ASSI { 1836}
   (( segid "    " and resid 90   and name HB2 ))
   (( segid "    " and resid 90   and name HA  ))
      2.600     0.900     0.900 peak  1836 spectrum    1 weight  0.10000E+01 volume  0.32948E-02 ppm1     58.771 ppm2      1.937 CV     1
 ASSI { 1837}
   (( segid "    " and resid 90   and name HG1 ))
   (( segid "    " and resid 90   and name HA  ))
      3.400     1.400     1.400 peak  1837 spectrum    1 weight  0.10000E+01 volume  0.19045E-02 ppm1     58.771 ppm2      1.602 CV     1
 ASSI { 1838}
   (( segid "    " and resid 90   and name HG2 ))
   (( segid "    " and resid 90   and name HA  ))
      3.500     1.500     1.500 peak  1838 spectrum    1 weight  0.10000E+01 volume  0.14916E-02 ppm1     58.771 ppm2      1.675 CV     1
 ASSI { 1839}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HB2 ))
      4.600     2.700     1.400 peak  1839 spectrum    1 weight  0.10000E+01 volume  0.27387E-03 ppm1     29.564 ppm2      8.167 CV     1
 ASSI { 1842}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 90   and name HD2 ))
      5.100     3.200     0.900 peak  1842 spectrum    1 weight  0.10000E+01 volume  0.34128E-03 ppm1     43.600 ppm2      4.078 CV     1
 ASSI { 1843}
   (( segid "    " and resid 90   and name HB2 ))
   (( segid "    " and resid 90   and name HD1 ))
      3.400     1.500     1.500 peak  1843 spectrum    1 weight  0.10000E+01 volume  0.10828E-02 ppm1     43.600 ppm2      1.937 CV     1
 ASSI { 1844}
   (( segid "    " and resid 90   and name HG1 ))
   (( segid "    " and resid 90   and name HD1 ))
      2.500     0.800     0.800 peak  1844 spectrum    1 weight  0.10000E+01 volume  0.36066E-02 ppm1     43.600 ppm2      1.603 CV     1
 ASSI { 1845}
   (( segid "    " and resid 90   and name HG1 ))
   (( segid "    " and resid 90   and name HD2 ))
      3.100     1.200     1.200 peak  1845 spectrum    1 weight  0.10000E+01 volume  0.15716E-02 ppm1     43.600 ppm2      1.604 CV     1
 ASSI { 1846}
   (( segid "    " and resid 90   and name HG2 ))
   (( segid "    " and resid 90   and name HD1 ))
      2.900     1.100     1.100 peak  1846 spectrum    1 weight  0.10000E+01 volume  0.18075E-02 ppm1     43.600 ppm2      1.673 CV     1
 ASSI { 1847}
   (( segid "    " and resid 90   and name HG2 ))
   (( segid "    " and resid 90   and name HD2 ))
      3.200     1.200     1.200 peak  1847 spectrum    1 weight  0.10000E+01 volume  0.91431E-03 ppm1     43.600 ppm2      1.675 CV     1
 ASSI { 1857}
   (( segid "    " and resid 90   and name HB2 ))
   (( segid "    " and resid 90   and name HG1 ))
      2.700     0.900     0.900 peak  1857 spectrum    1 weight  0.10000E+01 volume  0.21573E-02 ppm1     27.096 ppm2      1.936 CV     1
 ASSI { 1858}
   (( segid "    " and resid 90   and name HB2 ))
   (( segid "    " and resid 90   and name HG2 ))
      3.200     1.300     1.300 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.22331E-02 ppm1     27.096 ppm2      1.937 CV     1
 ASSI { 1863}
   (( segid "    " and resid 90   and name HG1 ))
   (( segid "    " and resid 90   and name HG2 ))
      1.600     0.300     0.600 peak  1863 spectrum    1 weight  0.10000E+01 volume  0.23005E-01 ppm1     27.096 ppm2      1.604 CV     1
 ASSI { 1867}
   (  segid "    " and resid 75   and name HG2%)
   (  segid "    " and resid 91   and name HB% )
      3.300     1.400     1.400 peak  1867 spectrum    1 weight  0.10000E+01 volume  0.15548E-02 ppm1     19.816 ppm2      0.685 CV     1
 ASSI { 1868}
   (  segid "    " and resid 92   and name HG2%)
   (  segid "    " and resid 91   and name HB% )
      3.600     1.600     1.600 peak  1868 spectrum    1 weight  0.10000E+01 volume  0.27808E-03 ppm1     19.816 ppm2      0.902 CV     1
 ASSI { 1869}
   (  segid "    " and resid 29   and name HG2%)
   (  segid "    " and resid 91   and name HB% )
      4.800     2.900     1.200 peak  1869 spectrum    1 weight  0.10000E+01 volume  0.20224E-03 ppm1     19.816 ppm2      1.160 CV     1
 ASSI { 1873}
   (( segid "    " and resid 91   and name HA  ))
   (  segid "    " and resid 91   and name HB% )
      3.300     1.400     1.400 peak  1873 spectrum    1 weight  0.10000E+01 volume  0.93535E-03 ppm1     19.816 ppm2      3.865 CV     1
 ASSI { 1875}
   (( segid "    " and resid 95   and name HB  ))
   (  segid "    " and resid 91   and name HB% )
      3.900     1.900     1.900 peak  1875 spectrum    1 weight  0.10000E+01 volume  0.16854E-03 ppm1     19.816 ppm2      1.918 CV     1
 ASSI { 1878}
   (  segid "    " and resid 92   and name HG1%)
   (( segid "    " and resid 92   and name HA  ))
      3.500     1.500     1.500 peak  1878 spectrum    1 weight  0.10000E+01 volume  0.13230E-02 ppm1     67.268 ppm2      0.858 CV     1
 ASSI { 1879}
   (  segid "    " and resid 92   and name HG2%)
   (( segid "    " and resid 92   and name HA  ))
      3.000     1.100     1.100 peak  1879 spectrum    1 weight  0.10000E+01 volume  0.15379E-02 ppm1     67.268 ppm2      0.896 CV     1
 ASSI { 1883}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 92   and name HB  ))
      4.600     2.600     1.400 peak  1883 spectrum    1 weight  0.10000E+01 volume  0.34971E-03 ppm1     31.653 ppm2      3.834 CV     1
 ASSI { 1884}
   (  segid "    " and resid 92   and name HG1%)
   (( segid "    " and resid 92   and name HB  ))
      3.000     1.100     1.100 peak  1884 spectrum    1 weight  0.10000E+01 volume  0.13104E-02 ppm1     31.653 ppm2      0.854 CV     1
 ASSI { 1885}
   (  segid "    " and resid 92   and name HG2%)
   (( segid "    " and resid 92   and name HB  ))
      2.900     1.100     1.100 peak  1885 spectrum    1 weight  0.10000E+01 volume  0.14283E-02 ppm1     31.653 ppm2      0.894 CV     1
 ASSI { 1887}
   (( segid "    " and resid 41   and name HG12))
   (  segid "    " and resid 92   and name HG1%)
      5.100     3.300     0.900 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.42134E-03 ppm1     20.867 ppm2      1.290 CV     1
 ASSI { 1892}
   (  segid "    " and resid 92   and name HG2%)
   (  segid "    " and resid 92   and name HG1%)
      1.600     0.300     0.600 peak  1892 spectrum    1 weight  0.10000E+01 volume  0.83103E-01 ppm1     20.867 ppm2      0.897 CV     1
 ASSI { 1894}
   (  segid "    " and resid 92   and name HG2%)
   (( segid "    " and resid 93   and name HA  ))
      4.000     2.000     2.000 peak  1894 spectrum    1 weight  0.10000E+01 volume  0.47611E-03 ppm1     59.505 ppm2      0.901 CV     1
 ASSI { 1895}
   (( segid "    " and resid 93   and name HB1 ))
   (( segid "    " and resid 93   and name HA  ))
      3.000     1.100     1.100 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.17907E-02 ppm1     59.505 ppm2      2.027 CV     1
 ASSI { 1896}
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 93   and name HA  ))
      3.200     1.300     1.300 peak  1896 spectrum    1 weight  0.10000E+01 volume  0.12598E-02 ppm1     59.505 ppm2      2.163 CV     1
 ASSI { 1897}
   (( segid "    " and resid 93   and name HG1 ))
   (( segid "    " and resid 93   and name HA  ))
      3.600     1.600     1.600 peak  1897 spectrum    1 weight  0.10000E+01 volume  0.63621E-03 ppm1     59.505 ppm2      2.358 CV     1
 OR { 1897}
   (( segid "    " and resid 93   and name HG2 ))
   (( segid "    " and resid 93   and name HA  ))
 ASSI {  600}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HD1 ))
      3.800     1.800     1.800 peak   600 spectrum    1 weight  0.10000E+01 volume  0.11966E-02 ppm1     29.705 ppm2      1.056 CV     1
 ASSI {  601}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HD2 ))
      3.700     1.800     1.800 peak   601 spectrum    1 weight  0.10000E+01 volume  0.16559E-02 ppm1     29.705 ppm2      1.054 CV     1
 ASSI {  603}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 5    and name HD1 ))
      2.600     0.800     0.800 peak   603 spectrum    1 weight  0.10000E+01 volume  0.12851E-02 ppm1     29.705 ppm2      1.121 CV     1
 ASSI {  608}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 5    and name HD1 ))
      3.000     1.100     1.100 peak   608 spectrum    1 weight  0.10000E+01 volume  0.13651E-02 ppm1     29.705 ppm2      1.012 CV     1
 ASSI {  609}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 5    and name HD2 ))
      3.200     1.300     1.300 peak   609 spectrum    1 weight  0.10000E+01 volume  0.11924E-02 ppm1     29.705 ppm2      1.009 CV     1
 ASSI {  610}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HE2 ))
      4.300     2.300     1.700 peak   610 spectrum    1 weight  0.10000E+01 volume  0.67412E-03 ppm1     41.390 ppm2      1.056 CV     1
 OR {  610}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HE1 ))
 ASSI {  611}
   (( segid "    " and resid 5    and name HD1 ))
   (( segid "    " and resid 5    and name HE2 ))
      3.900     1.900     1.900 peak   611 spectrum    1 weight  0.10000E+01 volume  0.32443E-03 ppm1     41.390 ppm2      0.920 CV     1
 OR {  611}
   (( segid "    " and resid 5    and name HD1 ))
   (( segid "    " and resid 5    and name HE1 ))
 ASSI {  612}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 5    and name HE1 ))
      3.700     1.700     1.700 peak   612 spectrum    1 weight  0.10000E+01 volume  0.48454E-03 ppm1     41.390 ppm2      1.114 CV     1
 OR {  612}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 5    and name HE2 ))
 ASSI {  613}
   (( segid "    " and resid 5    and name HG1 ))
   (( segid "    " and resid 5    and name HE2 ))
      3.800     1.800     1.800 peak   613 spectrum    1 weight  0.10000E+01 volume  0.62780E-03 ppm1     41.390 ppm2      0.709 CV     1
 OR {  613}
   (( segid "    " and resid 5    and name HG1 ))
   (( segid "    " and resid 5    and name HE1 ))
 ASSI {  614}
   (( segid "    " and resid 6    and name HG  ))
   (( segid "    " and resid 5    and name HG1 ))
      3.500     3.500     2.500 peak   614 spectrum    1 weight  0.10000E+01 volume  0.25070E-02 ppm1     25.896 ppm2      1.448 CV     1
 ASSI {  615}
   (( segid "    " and resid 3    and name HB1 ))
   (( segid "    " and resid 5    and name HG1 ))
      4.500     2.600     1.500 peak   615 spectrum    1 weight  0.10000E+01 volume  0.21067E-03 ppm1     25.896 ppm2      1.750 CV     1
 ASSI {  616}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 5    and name HG1 ))
      2.900     1.100     1.100 peak   616 spectrum    1 weight  0.10000E+01 volume  0.17317E-02 ppm1     25.896 ppm2      1.891 CV     1
 ASSI {  617}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 5    and name HG1 ))
      4.900     2.900     1.100 peak   617 spectrum    1 weight  0.10000E+01 volume  0.44241E-03 ppm1     25.896 ppm2      2.083 CV     1
 ASSI {  619}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HG1 ))
      3.200     1.300     1.300 peak   619 spectrum    1 weight  0.10000E+01 volume  0.91431E-03 ppm1     25.896 ppm2      1.050 CV     1
 ASSI {  620}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HG2 ))
      2.700     0.900     0.900 peak   620 spectrum    1 weight  0.10000E+01 volume  0.16854E-02 ppm1     25.896 ppm2      1.050 CV     1
 ASSI {  621}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HG1 ))
      3.000     1.100     1.100 peak   621 spectrum    1 weight  0.10000E+01 volume  0.23300E-02 ppm1     25.896 ppm2      1.345 CV     1
 ASSI {  623}
   (( segid "    " and resid 5    and name HD1 ))
   (( segid "    " and resid 5    and name HG1 ))
      3.200     1.200     1.200 peak   623 spectrum    1 weight  0.10000E+01 volume  0.14030E-02 ppm1     25.896 ppm2      0.918 CV     1
 ASSI {  624}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 5    and name HG1 ))
      3.300     1.400     1.400 peak   624 spectrum    1 weight  0.10000E+01 volume  0.48875E-03 ppm1     25.896 ppm2      1.124 CV     1
 ASSI {  627}
   (( segid "    " and resid 5    and name HE1 ))
   (( segid "    " and resid 5    and name HG2 ))
      4.300     2.300     1.700 peak   627 spectrum    1 weight  0.10000E+01 volume  0.18960E-03 ppm1     25.896 ppm2      2.410 CV     1
 OR {  627}
   (( segid "    " and resid 5    and name HE2 ))
   (( segid "    " and resid 5    and name HG2 ))
 ASSI {  629}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 5    and name HG1 ))
      2.600     0.800     0.800 peak   629 spectrum    1 weight  0.10000E+01 volume  0.98591E-03 ppm1     25.896 ppm2      1.004 CV     1
 ASSI {  633}
   (  segid "    " and resid 6    and name HD2%)
   (( segid "    " and resid 6    and name HB2 ))
      3.400     1.400     1.400 peak   633 spectrum    1 weight  0.10000E+01 volume  0.10576E-02 ppm1     43.781 ppm2      0.807 CV     1
 OR {  633}
   (  segid "    " and resid 6    and name HD2%)
   (( segid "    " and resid 6    and name HB1 ))
 ASSI {  636}
   (( segid "    " and resid 6    and name HB1 ))
   (  segid "    " and resid 6    and name HD1%)
      3.100     1.200     1.200 peak   636 spectrum    1 weight  0.10000E+01 volume  0.14199E-02 ppm1     24.841 ppm2      1.357 CV     1
 OR {  636}
   (( segid "    " and resid 6    and name HB2 ))
   (  segid "    " and resid 6    and name HD1%)
 ASSI {  640}
   (( segid "    " and resid 4    and name HB1 ))
   (  segid "    " and resid 6    and name HD2%)
      3.000     1.200     1.200 peak   640 spectrum    1 weight  0.10000E+01 volume  0.21278E-02 ppm1     24.842 ppm2      1.566 CV     1
 ASSI {  643}
   (( segid "    " and resid 4    and name HG2 ))
   (  segid "    " and resid 6    and name HD2%)
      4.300     2.300     1.700 peak   643 spectrum    1 weight  0.10000E+01 volume  0.79633E-03 ppm1     24.842 ppm2      2.097 CV     1
 ASSI {  644}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 6    and name HD2%)
      4.100     2.100     1.900 peak   644 spectrum    1 weight  0.10000E+01 volume  0.28230E-03 ppm1     24.842 ppm2      4.654 CV     1
 ASSI {  651}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 6    and name HG  ))
      2.200     0.600     0.600 peak   651 spectrum    1 weight  0.10000E+01 volume  0.10542E-01 ppm1     26.855 ppm2      1.356 CV     1
 OR {  651}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HG  ))
 ASSI {  652}
   (  segid "    " and resid 6    and name HD1%)
   (( segid "    " and resid 6    and name HG  ))
      2.900     1.000     1.000 peak   652 spectrum    1 weight  0.10000E+01 volume  0.16475E-02 ppm1     26.855 ppm2      0.744 CV     1
 ASSI {  653}
   (  segid "    " and resid 6    and name HD2%)
   (( segid "    " and resid 6    and name HG  ))
      2.900     1.000     1.000 peak   653 spectrum    1 weight  0.10000E+01 volume  0.18118E-02 ppm1     26.855 ppm2      0.808 CV     1
 ASSI {  659}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 7    and name HB1 ))
      3.300     3.300     2.700 peak   659 spectrum    1 weight  0.10000E+01 volume  0.16601E-02 ppm1     37.916 ppm2      2.628 CV     1
 ASSI {  662}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HB2 ))
      3.700     1.800     1.800 peak   662 spectrum    1 weight  0.10000E+01 volume  0.42976E-03 ppm1     37.916 ppm2      4.353 CV     1
 ASSI {  663}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 7    and name HB2 ))
      2.800     1.000     1.000 peak   663 spectrum    1 weight  0.10000E+01 volume  0.91008E-03 ppm1     37.916 ppm2      2.757 CV     1
 ASSI {  671}
   (( segid "    " and resid 69   and name HB1 ))
   (  segid "    " and resid 7    and name HE% )
      5.300     3.500     0.700 peak   671 spectrum    1 weight  0.10000E+01 volume  0.12640E-03 ppm1    117.923 ppm2      2.436 CV     1
 OR {  671}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 7    and name HE% )
 ASSI {  672}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 7    and name HE% )
      5.100     3.300     0.900 peak   672 spectrum    1 weight  0.10000E+01 volume  0.15589E-03 ppm1    117.923 ppm2      2.596 CV     1
 ASSI {  677}
   (( segid "    " and resid 9    and name HD2 ))
   (( segid "    " and resid 9    and name HA  ))
      4.000     2.000     2.000 peak   677 spectrum    1 weight  0.10000E+01 volume  0.44241E-03 ppm1     63.611 ppm2      1.924 CV     1
 OR {  677}
   (( segid "    " and resid 9    and name HD1 ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI {  678}
   (( segid "    " and resid 9    and name HG1 ))
   (( segid "    " and resid 9    and name HA  ))
      4.800     2.900     1.200 peak   678 spectrum    1 weight  0.10000E+01 volume  0.36235E-03 ppm1     63.611 ppm2      2.003 CV     1
 ASSI {  679}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 9    and name HB2 ))
      6.000     4.900     0.000 peak   679 spectrum    1 weight  0.10000E+01 volume  0.10955E-03 ppm1     28.123 ppm2      1.448 CV     1
 ASSI {  680}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HB2 ))
      2.700     0.900     0.900 peak   680 spectrum    1 weight  0.10000E+01 volume  0.79210E-03 ppm1     28.123 ppm2      1.935 CV     1
 ASSI {  681}
   (( segid "    " and resid 9    and name HG1 ))
   (( segid "    " and resid 9    and name HB2 ))
      3.700     1.700     1.700 peak   681 spectrum    1 weight  0.10000E+01 volume  0.50982E-03 ppm1     28.123 ppm2      2.000 CV     1
 ASSI {  682}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HB2 ))
      3.700     1.800     1.800 peak   682 spectrum    1 weight  0.10000E+01 volume  0.19381E-03 ppm1     28.123 ppm2      2.251 CV     1
 ASSI {  684}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HG1 ))
      2.300     0.600     0.600 peak   684 spectrum    1 weight  0.10000E+01 volume  0.22246E-02 ppm1     27.529 ppm2      2.253 CV     1
 ASSI {  685}
   (  segid "    " and resid 18   and name HE% )
   (( segid "    " and resid 10   and name HA  ))
      3.700     1.800     1.800 peak   685 spectrum    1 weight  0.10000E+01 volume  0.35393E-03 ppm1     65.017 ppm2      7.374 CV     1
 ASSI {  691}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB  ))
      3.400     1.400     1.400 peak   691 spectrum    1 weight  0.10000E+01 volume  0.61094E-03 ppm1     32.304 ppm2      3.953 CV     1
 ASSI {  693}
   (  segid "    " and resid 8    and name HG1%)
   (  segid "    " and resid 10   and name HG2%)
      4.500     2.500     1.500 peak   693 spectrum    1 weight  0.10000E+01 volume  0.48033E-03 ppm1     21.768 ppm2      0.243 CV     1
 OR {  693}
   (  segid "    " and resid 8    and name HG1%)
   (  segid "    " and resid 10   and name HG1%)
 ASSI {  695}
   (  segid "    " and resid 43   and name HG1%)
   (  segid "    " and resid 10   and name HG2%)
      5.300     3.500     0.700 peak   695 spectrum    1 weight  0.10000E+01 volume  0.10533E-03 ppm1     21.768 ppm2      0.783 CV     1
 OR {  695}
   (  segid "    " and resid 43   and name HG1%)
   (  segid "    " and resid 10   and name HG1%)
 ASSI {  696}
   (( segid "    " and resid 11   and name HD1 ))
   (  segid "    " and resid 10   and name HG1%)
      5.300     3.500     0.700 peak   696 spectrum    1 weight  0.10000E+01 volume  0.13904E-03 ppm1     21.768 ppm2      1.619 CV     1
 OR {  696}
   (( segid "    " and resid 11   and name HD2 ))
   (  segid "    " and resid 10   and name HG1%)
 ASSI {  697}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 10   and name HG1%)
      5.600     3.900     0.400 peak   697 spectrum    1 weight  0.10000E+01 volume  0.15589E-03 ppm1     21.768 ppm2      1.725 CV     1
 OR {  697}
   (( segid "    " and resid 11   and name HB1 ))
   (  segid "    " and resid 10   and name HG1%)
 ASSI {  698}
   (( segid "    " and resid 11   and name HE1 ))
   (  segid "    " and resid 10   and name HG1%)
      4.200     2.200     1.800 peak   698 spectrum    1 weight  0.10000E+01 volume  0.11798E-03 ppm1     21.768 ppm2      2.896 CV     1
 OR {  698}
   (( segid "    " and resid 11   and name HE2 ))
   (  segid "    " and resid 10   and name HG1%)
 ASSI {  699}
   (  segid "    " and resid 18   and name HE% )
   (  segid "    " and resid 10   and name HG2%)
      5.200     3.400     0.800 peak   699 spectrum    1 weight  0.10000E+01 volume  0.16011E-03 ppm1     21.768 ppm2      7.402 CV     1
 ASSI { 5889}
   (( segid "    " and resid 24   and name HA1 ))
   (( segid "    " and resid 24   and name HA2 ))
      3.300     3.300     2.700 peak  5889 spectrum    1 weight  0.10000E+01 volume  0.37920E-03 ppm1     44.550 ppm2      3.967 CV     1
 ASSI { 1903}
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 93   and name HB1 ))
      2.000     0.500     0.500 peak  1903 spectrum    1 weight  0.10000E+01 volume  0.74281E-02 ppm1     29.340 ppm2      2.163 CV     1
 ASSI { 1907}
   (( segid "    " and resid 93   and name HB1 ))
   (( segid "    " and resid 93   and name HG2 ))
      2.900     1.000     1.000 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.26670E-02 ppm1     36.176 ppm2      2.028 CV     1
 OR { 1907}
   (( segid "    " and resid 93   and name HB1 ))
   (( segid "    " and resid 93   and name HG1 ))
 ASSI { 1908}
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 93   and name HG1 ))
      2.500     0.800     0.800 peak  1908 spectrum    1 weight  0.10000E+01 volume  0.52119E-02 ppm1     36.176 ppm2      2.161 CV     1
 OR { 1908}
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 93   and name HG2 ))
 ASSI { 1910}
   (( segid "    " and resid 94   and name HB2 ))
   (( segid "    " and resid 94   and name HA  ))
      3.100     1.200     1.200 peak  1910 spectrum    1 weight  0.10000E+01 volume  0.17149E-02 ppm1     58.400 ppm2      1.991 CV     1
 OR { 1910}
   (( segid "    " and resid 94   and name HB1 ))
   (( segid "    " and resid 94   and name HA  ))
 ASSI { 1911}
   (( segid "    " and resid 94   and name HG2 ))
   (( segid "    " and resid 94   and name HA  ))
      3.400     1.500     1.500 peak  1911 spectrum    1 weight  0.10000E+01 volume  0.11165E-02 ppm1     58.400 ppm2      2.270 CV     1
 OR { 1911}
   (( segid "    " and resid 94   and name HG1 ))
   (( segid "    " and resid 94   and name HA  ))
 ASSI { 1914}
   (( segid "    " and resid 94   and name HG1 ))
   (( segid "    " and resid 94   and name HB1 ))
      2.600     0.800     0.800 peak  1914 spectrum    1 weight  0.10000E+01 volume  0.47316E-02 ppm1     29.472 ppm2      2.301 CV     1
 OR { 1914}
   (( segid "    " and resid 94   and name HG2 ))
   (( segid "    " and resid 94   and name HB2 ))
 OR { 1914}
   (( segid "    " and resid 94   and name HG1 ))
   (( segid "    " and resid 94   and name HB2 ))
 OR { 1914}
   (( segid "    " and resid 94   and name HG2 ))
   (( segid "    " and resid 94   and name HB1 ))
 ASSI { 1918}
   (  segid "    " and resid 95   and name HG1%)
   (( segid "    " and resid 95   and name HA  ))
      3.300     1.400     1.400 peak  1918 spectrum    1 weight  0.10000E+01 volume  0.10154E-02 ppm1     66.901 ppm2      0.763 CV     1
 ASSI { 1921}
   (  segid "    " and resid 95   and name HG1%)
   (( segid "    " and resid 95   and name HB  ))
      2.900     1.000     1.000 peak  1921 spectrum    1 weight  0.10000E+01 volume  0.17570E-02 ppm1     30.693 ppm2      0.762 CV     1
 ASSI { 1922}
   (  segid "    " and resid 95   and name HG2%)
   (( segid "    " and resid 95   and name HB  ))
      2.900     1.100     1.100 peak  1922 spectrum    1 weight  0.10000E+01 volume  0.17275E-02 ppm1     30.693 ppm2      0.897 CV     1
 ASSI { 1925}
   (  segid "    " and resid 95   and name HG2%)
   (  segid "    " and resid 95   and name HG1%)
      1.900     0.400     0.400 peak  1925 spectrum    1 weight  0.10000E+01 volume  0.33678E-01 ppm1     20.741 ppm2      0.888 CV     1
 ASSI { 1930}
   (( segid "    " and resid 96   and name HB1 ))
   (( segid "    " and resid 96   and name HD1 ))
      2.200     0.600     0.600 peak  1930 spectrum    1 weight  0.10000E+01 volume  0.12926E-01 ppm1     29.009 ppm2      1.765 CV     1
 OR { 1930}
   (( segid "    " and resid 96   and name HB2 ))
   (( segid "    " and resid 96   and name HD2 ))
 OR { 1930}
   (( segid "    " and resid 96   and name HB2 ))
   (( segid "    " and resid 96   and name HD1 ))
 OR { 1930}
   (( segid "    " and resid 96   and name HB1 ))
   (( segid "    " and resid 96   and name HD2 ))
 ASSI { 1933}
   (( segid "    " and resid 96   and name HB2 ))
   (( segid "    " and resid 96   and name HE1 ))
      3.700     1.700     1.700 peak  1933 spectrum    1 weight  0.10000E+01 volume  0.10744E-02 ppm1     42.076 ppm2      1.762 CV     1
 OR { 1933}
   (( segid "    " and resid 96   and name HB1 ))
   (( segid "    " and resid 96   and name HE2 ))
 OR { 1933}
   (( segid "    " and resid 96   and name HB2 ))
   (( segid "    " and resid 96   and name HE2 ))
 OR { 1933}
   (( segid "    " and resid 96   and name HB1 ))
   (( segid "    " and resid 96   and name HE1 ))
 ASSI { 1934}
   (( segid "    " and resid 96   and name HD2 ))
   (( segid "    " and resid 96   and name HE2 ))
      2.500     0.800     0.800 peak  1934 spectrum    1 weight  0.10000E+01 volume  0.47906E-02 ppm1     42.076 ppm2      1.674 CV     1
 OR { 1934}
   (( segid "    " and resid 96   and name HD1 ))
   (( segid "    " and resid 96   and name HE1 ))
 OR { 1934}
   (( segid "    " and resid 96   and name HD1 ))
   (( segid "    " and resid 96   and name HE2 ))
 OR { 1934}
   (( segid "    " and resid 96   and name HD2 ))
   (( segid "    " and resid 96   and name HE1 ))
 ASSI { 1935}
   (( segid "    " and resid 96   and name HG2 ))
   (( segid "    " and resid 96   and name HE1 ))
      2.900     1.000     1.000 peak  1935 spectrum    1 weight  0.10000E+01 volume  0.27471E-02 ppm1     42.076 ppm2      1.429 CV     1
 OR { 1935}
   (( segid "    " and resid 96   and name HG1 ))
   (( segid "    " and resid 96   and name HE2 ))
 OR { 1935}
   (( segid "    " and resid 96   and name HG2 ))
   (( segid "    " and resid 96   and name HE2 ))
 OR { 1935}
   (( segid "    " and resid 96   and name HG1 ))
   (( segid "    " and resid 96   and name HE1 ))
 ASSI { 1936}
   (( segid "    " and resid 96   and name HB2 ))
   (( segid "    " and resid 96   and name HG2 ))
      2.500     0.800     0.800 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.43398E-02 ppm1     24.808 ppm2      1.763 CV     1
 OR { 1936}
   (( segid "    " and resid 96   and name HB1 ))
   (( segid "    " and resid 96   and name HG2 ))
 OR { 1936}
   (( segid "    " and resid 96   and name HB1 ))
   (( segid "    " and resid 96   and name HG1 ))
 OR { 1936}
   (( segid "    " and resid 96   and name HB2 ))
   (( segid "    " and resid 96   and name HG1 ))
 ASSI { 1937}
   (( segid "    " and resid 96   and name HD2 ))
   (( segid "    " and resid 96   and name HG1 ))
      2.200     0.600     0.600 peak  1937 spectrum    1 weight  0.10000E+01 volume  0.12488E-01 ppm1     24.808 ppm2      1.675 CV     1
 OR { 1937}
   (( segid "    " and resid 96   and name HD1 ))
   (( segid "    " and resid 96   and name HG2 ))
 OR { 1937}
   (( segid "    " and resid 96   and name HD1 ))
   (( segid "    " and resid 96   and name HG1 ))
 OR { 1937}
   (( segid "    " and resid 96   and name HD2 ))
   (( segid "    " and resid 96   and name HG2 ))
 ASSI { 1939}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 97   and name HA  ))
      2.900     1.100     1.100 peak  1939 spectrum    1 weight  0.10000E+01 volume  0.22162E-02 ppm1     59.344 ppm2      1.855 CV     1
 OR { 1939}
   (( segid "    " and resid 97   and name HB1 ))
   (( segid "    " and resid 97   and name HA  ))
 ASSI { 1940}
   (( segid "    " and resid 97   and name HD1 ))
   (( segid "    " and resid 97   and name HA  ))
      3.300     1.400     1.400 peak  1940 spectrum    1 weight  0.10000E+01 volume  0.91854E-03 ppm1     59.344 ppm2      1.595 CV     1
 ASSI { 1941}
   (( segid "    " and resid 97   and name HD2 ))
   (( segid "    " and resid 97   and name HA  ))
      3.700     1.700     1.700 peak  1941 spectrum    1 weight  0.10000E+01 volume  0.10576E-02 ppm1     59.344 ppm2      1.664 CV     1
 ASSI { 1942}
   (( segid "    " and resid 97   and name HE1 ))
   (( segid "    " and resid 97   and name HA  ))
      4.600     2.700     1.400 peak  1942 spectrum    1 weight  0.10000E+01 volume  0.40870E-03 ppm1     59.344 ppm2      2.888 CV     1
 ASSI { 1943}
   (( segid "    " and resid 97   and name HG1 ))
   (( segid "    " and resid 97   and name HA  ))
      3.500     1.500     1.500 peak  1943 spectrum    1 weight  0.10000E+01 volume  0.87216E-03 ppm1     59.344 ppm2      1.454 CV     1
 OR { 1943}
   (( segid "    " and resid 97   and name HG2 ))
   (( segid "    " and resid 97   and name HA  ))
 ASSI { 1945}
   (( segid "    " and resid 97   and name HD1 ))
   (( segid "    " and resid 97   and name HB1 ))
      3.000     1.100     1.100 peak  1945 spectrum    1 weight  0.10000E+01 volume  0.30252E-02 ppm1     32.731 ppm2      1.590 CV     1
 OR { 1945}
   (( segid "    " and resid 97   and name HD1 ))
   (( segid "    " and resid 97   and name HB2 ))
 ASSI { 1946}
   (( segid "    " and resid 97   and name HD2 ))
   (( segid "    " and resid 97   and name HB1 ))
      2.800     0.900     0.900 peak  1946 spectrum    1 weight  0.10000E+01 volume  0.33286E-02 ppm1     32.731 ppm2      1.660 CV     1
 OR { 1946}
   (( segid "    " and resid 97   and name HD2 ))
   (( segid "    " and resid 97   and name HB2 ))
 ASSI { 1948}
   (( segid "    " and resid 97   and name HD1 ))
   (( segid "    " and resid 97   and name HD2 ))
      1.300     0.200     0.900 peak  1948 spectrum    1 weight  0.10000E+01 volume  0.75355E-01 ppm1     29.041 ppm2      1.596 CV     1
 ASSI { 1955}
   (( segid "    " and resid 97   and name HB1 ))
   (( segid "    " and resid 97   and name HE1 ))
      4.400     2.400     1.600 peak  1955 spectrum    1 weight  0.10000E+01 volume  0.65308E-03 ppm1     42.053 ppm2      1.853 CV     1
 OR { 1955}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 97   and name HE1 ))
 ASSI { 1956}
   (( segid "    " and resid 97   and name HB1 ))
   (( segid "    " and resid 97   and name HE2 ))
      4.600     2.700     1.400 peak  1956 spectrum    1 weight  0.10000E+01 volume  0.39185E-03 ppm1     42.053 ppm2      1.856 CV     1
 OR { 1956}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 97   and name HE2 ))
 ASSI { 1957}
   (( segid "    " and resid 97   and name HD1 ))
   (( segid "    " and resid 97   and name HE1 ))
      2.400     0.700     0.700 peak  1957 spectrum    1 weight  0.10000E+01 volume  0.56164E-02 ppm1     42.053 ppm2      1.594 CV     1
 ASSI { 1958}
   (( segid "    " and resid 97   and name HD1 ))
   (( segid "    " and resid 97   and name HE2 ))
      2.700     0.900     0.900 peak  1958 spectrum    1 weight  0.10000E+01 volume  0.43862E-02 ppm1     42.053 ppm2      1.595 CV     1
 ASSI { 1959}
   (( segid "    " and resid 97   and name HD2 ))
   (( segid "    " and resid 97   and name HE1 ))
      2.700     0.900     0.900 peak  1959 spectrum    1 weight  0.10000E+01 volume  0.32106E-02 ppm1     42.053 ppm2      1.669 CV     1
 ASSI { 1960}
   (( segid "    " and resid 97   and name HD2 ))
   (( segid "    " and resid 97   and name HE2 ))
      2.600     0.900     0.900 peak  1960 spectrum    1 weight  0.10000E+01 volume  0.34634E-02 ppm1     42.053 ppm2      1.668 CV     1
 ASSI { 1961}
   (( segid "    " and resid 97   and name HE1 ))
   (( segid "    " and resid 97   and name HE2 ))
      1.300     0.200     0.900 peak  1961 spectrum    1 weight  0.10000E+01 volume  0.11066E+00 ppm1     42.053 ppm2      2.879 CV     1
 ASSI { 1963}
   (( segid "    " and resid 97   and name HG2 ))
   (( segid "    " and resid 97   and name HE1 ))
      3.300     1.300     1.300 peak  1963 spectrum    1 weight  0.10000E+01 volume  0.17190E-02 ppm1     42.053 ppm2      1.453 CV     1
 OR { 1963}
   (( segid "    " and resid 97   and name HG1 ))
   (( segid "    " and resid 97   and name HE1 ))
 ASSI { 1964}
   (( segid "    " and resid 97   and name HG1 ))
   (( segid "    " and resid 97   and name HE2 ))
      3.000     1.100     1.100 peak  1964 spectrum    1 weight  0.10000E+01 volume  0.21278E-02 ppm1     42.053 ppm2      1.455 CV     1
 OR { 1964}
   (( segid "    " and resid 97   and name HG2 ))
   (( segid "    " and resid 97   and name HE2 ))
 ASSI { 1965}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 97   and name HG2 ))
      2.800     1.000     1.000 peak  1965 spectrum    1 weight  0.10000E+01 volume  0.24648E-02 ppm1     25.027 ppm2      1.850 CV     1
 OR { 1965}
   (( segid "    " and resid 97   and name HB1 ))
   (( segid "    " and resid 97   and name HG2 ))
 OR { 1965}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 97   and name HG1 ))
 OR { 1965}
   (( segid "    " and resid 97   and name HB1 ))
   (( segid "    " and resid 97   and name HG1 ))
 ASSI { 1966}
   (( segid "    " and resid 97   and name HD1 ))
   (( segid "    " and resid 97   and name HG1 ))
      2.100     0.600     0.600 peak  1966 spectrum    1 weight  0.10000E+01 volume  0.14519E-01 ppm1     25.027 ppm2      1.595 CV     1
 OR { 1966}
   (( segid "    " and resid 97   and name HD1 ))
   (( segid "    " and resid 97   and name HG2 ))
 ASSI { 1967}
   (( segid "    " and resid 97   and name HD2 ))
   (( segid "    " and resid 97   and name HG2 ))
      2.200     0.600     0.600 peak  1967 spectrum    1 weight  0.10000E+01 volume  0.11132E-01 ppm1     25.027 ppm2      1.663 CV     1
 OR { 1967}
   (( segid "    " and resid 97   and name HD2 ))
   (( segid "    " and resid 97   and name HG1 ))
 ASSI { 1971}
   (( segid "    " and resid 99   and name HG  ))
   (( segid "    " and resid 99   and name HA  ))
      4.400     2.400     1.600 peak  1971 spectrum    1 weight  0.10000E+01 volume  0.40027E-03 ppm1     54.594 ppm2      1.530 CV     1
 ASSI { 1972}
   (  segid "    " and resid 99   and name HD2%)
   (( segid "    " and resid 99   and name HB2 ))
      3.600     1.600     1.600 peak  1972 spectrum    1 weight  0.10000E+01 volume  0.63204E-03 ppm1     41.072 ppm2      0.706 CV     1
 ASSI { 1973}
   (( segid "    " and resid 99   and name HG  ))
   (( segid "    " and resid 99   and name HB2 ))
      2.800     1.000     1.000 peak  1973 spectrum    1 weight  0.10000E+01 volume  0.24606E-02 ppm1     41.072 ppm2      1.529 CV     1
 ASSI { 1974}
   (  segid "    " and resid 8    and name HG1%)
   (  segid "    " and resid 99   and name HD1%)
      5.700     4.000     0.300 peak  1974 spectrum    1 weight  0.10000E+01 volume  0.71627E-04 ppm1     23.946 ppm2      0.228 CV     1
 ASSI { 1975}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 99   and name HD1%)
      5.000     3.100     1.000 peak  1975 spectrum    1 weight  0.10000E+01 volume  0.17696E-03 ppm1     23.946 ppm2      7.444 CV     1
 ASSI { 1977}
   (( segid "    " and resid 99   and name HB2 ))
   (  segid "    " and resid 99   and name HD1%)
      3.300     1.400     1.400 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.95223E-03 ppm1     23.946 ppm2      1.740 CV     1
 ASSI { 1979}
   (  segid "    " and resid 99   and name HD2%)
   (  segid "    " and resid 99   and name HD1%)
      2.200     0.600     0.600 peak  1979 spectrum    1 weight  0.10000E+01 volume  0.14431E-01 ppm1     23.946 ppm2      0.706 CV     1
 ASSI { 1980}
   (( segid "    " and resid 99   and name HG  ))
   (  segid "    " and resid 99   and name HD1%)
      3.100     1.200     1.200 peak  1980 spectrum    1 weight  0.10000E+01 volume  0.12135E-02 ppm1     23.946 ppm2      1.527 CV     1
 ASSI { 1984}
   (( segid "    " and resid 21   and name HG1 ))
   (( segid "    " and resid 101  and name HA  ))
      4.600     2.700     1.400 peak  1984 spectrum    1 weight  0.10000E+01 volume  0.31601E-03 ppm1     63.136 ppm2      1.458 CV     1
 ASSI { 1988}
   (( segid "    " and resid 101  and name HD2 ))
   (( segid "    " and resid 101  and name HA  ))
      3.400     1.400     1.400 peak  1988 spectrum    1 weight  0.10000E+01 volume  0.19045E-02 ppm1     63.136 ppm2      3.072 CV     1
 ASSI { 1992}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 101  and name HB1 ))
      3.500     1.500     1.500 peak  1992 spectrum    1 weight  0.10000E+01 volume  0.47611E-03 ppm1     31.245 ppm2      3.061 CV     1
 ASSI { 1994}
   (( segid "    " and resid 101  and name HB1 ))
   (( segid "    " and resid 101  and name HB2 ))
      2.500     0.800     0.800 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.16475E-02 ppm1     31.245 ppm2      0.852 CV     1
 ASSI { 1997}
   (( segid "    " and resid 101  and name HD2 ))
   (( segid "    " and resid 101  and name HB2 ))
      5.000     3.100     1.000 peak  1997 spectrum    1 weight  0.10000E+01 volume  0.32864E-03 ppm1     31.245 ppm2      3.049 CV     1
 ASSI {  707}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HA  ))
      3.100     1.200     1.200 peak   707 spectrum    1 weight  0.10000E+01 volume  0.16095E-02 ppm1     58.487 ppm2      1.703 CV     1
 OR {  707}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HA  ))
 ASSI {  708}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 11   and name HA  ))
      3.800     1.800     1.800 peak   708 spectrum    1 weight  0.10000E+01 volume  0.12303E-02 ppm1     58.487 ppm2      1.605 CV     1
 OR {  708}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HA  ))
 ASSI {  709}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HA  ))
      4.000     2.000     2.000 peak   709 spectrum    1 weight  0.10000E+01 volume  0.88057E-03 ppm1     58.487 ppm2      1.403 CV     1
 ASSI {  719}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HD2 ))
      1.700     0.400     0.500 peak   719 spectrum    1 weight  0.10000E+01 volume  0.68701E-01 ppm1     29.000 ppm2      1.701 CV     1
 OR {  719}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HD1 ))
 OR {  719}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HD2 ))
 OR {  719}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HD1 ))
 ASSI {  721}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HD2 ))
      2.100     0.500     0.500 peak   721 spectrum    1 weight  0.10000E+01 volume  0.14270E-01 ppm1     29.000 ppm2      1.403 CV     1
 OR {  721}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HD1 ))
 ASSI {  723}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HE1 ))
      5.400     3.600     0.600 peak   723 spectrum    1 weight  0.10000E+01 volume  0.12219E-03 ppm1     41.899 ppm2      3.969 CV     1
 OR {  723}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HE2 ))
 ASSI {  724}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HE2 ))
      3.000     1.100     1.100 peak   724 spectrum    1 weight  0.10000E+01 volume  0.24859E-02 ppm1     41.899 ppm2      1.702 CV     1
 OR {  724}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HE1 ))
 OR {  724}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HE1 ))
 OR {  724}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HE2 ))
 ASSI {  725}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HE2 ))
      2.400     0.700     0.700 peak   725 spectrum    1 weight  0.10000E+01 volume  0.63368E-02 ppm1     41.899 ppm2      1.604 CV     1
 OR {  725}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 11   and name HE1 ))
 OR {  725}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 11   and name HE2 ))
 OR {  725}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HE1 ))
 ASSI {  726}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HE1 ))
      3.100     1.200     1.200 peak   726 spectrum    1 weight  0.10000E+01 volume  0.23384E-02 ppm1     41.899 ppm2      1.405 CV     1
 OR {  726}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HE2 ))
 ASSI {  729}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HG1 ))
      2.300     0.700     0.700 peak   729 spectrum    1 weight  0.10000E+01 volume  0.63116E-02 ppm1     25.101 ppm2      1.701 CV     1
 OR {  729}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HG1 ))
 ASSI {  732}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 12   and name HA  ))
      3.700     1.800     1.800 peak   732 spectrum    1 weight  0.10000E+01 volume  0.22753E-03 ppm1     58.485 ppm2      7.296 CV     1
 ASSI {  734}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HA  ))
      3.300     1.400     1.400 peak   734 spectrum    1 weight  0.10000E+01 volume  0.84689E-03 ppm1     58.485 ppm2      1.433 CV     1
 ASSI {  735}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HA  ))
      3.800     1.800     1.800 peak   735 spectrum    1 weight  0.10000E+01 volume  0.13230E-02 ppm1     58.485 ppm2      1.945 CV     1
 ASSI {  736}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HA  ))
      3.100     1.200     1.200 peak   736 spectrum    1 weight  0.10000E+01 volume  0.11755E-02 ppm1     58.485 ppm2      2.048 CV     1
 ASSI {  742}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HB1 ))
      2.400     0.700     0.700 peak   742 spectrum    1 weight  0.10000E+01 volume  0.16432E-02 ppm1     30.303 ppm2      1.857 CV     1
 ASSI {  743}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HB1 ))
      3.200     1.300     1.300 peak   743 spectrum    1 weight  0.10000E+01 volume  0.12008E-02 ppm1     30.303 ppm2      1.944 CV     1
 ASSI {  745}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HB1 ))
      3.800     1.800     1.800 peak   745 spectrum    1 weight  0.10000E+01 volume  0.65731E-03 ppm1     30.303 ppm2      2.046 CV     1
 ASSI {  746}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HB2 ))
      2.200     0.600     0.600 peak   746 spectrum    1 weight  0.10000E+01 volume  0.90926E-02 ppm1     30.303 ppm2      2.043 CV     1
 ASSI {  753}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HG1 ))
      2.900     1.100     1.100 peak   753 spectrum    1 weight  0.10000E+01 volume  0.12008E-02 ppm1     37.053 ppm2      1.859 CV     1
 ASSI {  755}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HG2 ))
      2.100     0.600     0.600 peak   755 spectrum    1 weight  0.10000E+01 volume  0.49423E-02 ppm1     37.053 ppm2      1.941 CV     1
 ASSI {  760}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB1 ))
      4.100     2.100     1.900 peak   760 spectrum    1 weight  0.10000E+01 volume  0.21910E-03 ppm1     32.259 ppm2      4.703 CV     1
 ASSI {  761}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
      4.500     2.600     1.500 peak   761 spectrum    1 weight  0.10000E+01 volume  0.28651E-03 ppm1     32.261 ppm2      4.703 CV     1
 ASSI {  762}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HB2 ))
      2.500     0.800     0.800 peak   762 spectrum    1 weight  0.10000E+01 volume  0.21910E-02 ppm1     32.261 ppm2      1.953 CV     1
 ASSI {  764}
   (( segid "    " and resid 14   and name HD2 ))
   (( segid "    " and resid 14   and name HB1 ))
      4.600     2.700     1.400 peak   764 spectrum    1 weight  0.10000E+01 volume  0.32021E-03 ppm1     32.257 ppm2      3.327 CV     1
 OR {  764}
   (( segid "    " and resid 14   and name HD1 ))
   (( segid "    " and resid 14   and name HB1 ))
 ASSI {  765}
   (( segid "    " and resid 14   and name HD1 ))
   (( segid "    " and resid 14   and name HB2 ))
      5.400     3.700     0.600 peak   765 spectrum    1 weight  0.10000E+01 volume  0.13483E-03 ppm1     32.261 ppm2      3.327 CV     1
 OR {  765}
   (( segid "    " and resid 14   and name HD2 ))
   (( segid "    " and resid 14   and name HB2 ))
 ASSI {  766}
   (( segid "    " and resid 14   and name HG2 ))
   (( segid "    " and resid 14   and name HB2 ))
      2.700     0.900     0.900 peak   766 spectrum    1 weight  0.10000E+01 volume  0.21910E-02 ppm1     32.261 ppm2      1.946 CV     1
 ASSI {  768}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HG1 ))
      1.900     0.500     0.500 peak   768 spectrum    1 weight  0.10000E+01 volume  0.16234E-01 ppm1     27.292 ppm2      1.953 CV     1
 ASSI {  769}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HG1 ))
      4.100     2.100     1.900 peak   769 spectrum    1 weight  0.10000E+01 volume  0.56459E-03 ppm1     27.292 ppm2      2.303 CV     1
 ASSI {  771}
   (( segid "    " and resid 14   and name HD2 ))
   (( segid "    " and resid 14   and name HG1 ))
      3.800     1.800     1.800 peak   771 spectrum    1 weight  0.10000E+01 volume  0.39185E-03 ppm1     27.292 ppm2      3.324 CV     1
 OR {  771}
   (( segid "    " and resid 14   and name HD1 ))
   (( segid "    " and resid 14   and name HG1 ))
 ASSI {  772}
   (( segid "    " and resid 14   and name HD1 ))
   (( segid "    " and resid 14   and name HG2 ))
      4.200     2.200     1.800 peak   772 spectrum    1 weight  0.10000E+01 volume  0.23173E-03 ppm1     27.292 ppm2      3.322 CV     1
 OR {  772}
   (( segid "    " and resid 14   and name HD2 ))
   (( segid "    " and resid 14   and name HG2 ))
 ASSI {  773}
   (( segid "    " and resid 14   and name HG1 ))
   (( segid "    " and resid 14   and name HG2 ))
      1.900     0.400     0.400 peak   773 spectrum    1 weight  0.10000E+01 volume  0.11469E-01 ppm1     27.292 ppm2      1.871 CV     1
 ASSI {  777}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      4.900     3.000     1.100 peak   777 spectrum    1 weight  0.10000E+01 volume  0.26123E-03 ppm1     41.324 ppm2      8.693 CV     1
 ASSI {  778}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB2 ))
      4.600     2.600     1.400 peak   778 spectrum    1 weight  0.10000E+01 volume  0.20646E-03 ppm1     41.324 ppm2      4.749 CV     1
 ASSI {  783}
   (( segid "    " and resid 54   and name HG2 ))
   (( segid "    " and resid 58   and name HA  ))
      5.900     4.400     0.100 peak   783 spectrum    1 weight  0.10000E+01 volume  0.15168E-03 ppm1     58.289 ppm2      1.271 CV     1
 ASSI {  785}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 16   and name HA  ))
      3.100     3.100     2.900 peak   785 spectrum    1 weight  0.10000E+01 volume  0.71204E-03 ppm1     58.289 ppm2      1.874 CV     1
 ASSI {  786}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HA  ))
      4.100     2.100     1.900 peak   786 spectrum    1 weight  0.10000E+01 volume  0.39606E-03 ppm1     58.289 ppm2      2.397 CV     1
 ASSI {  787}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HA  ))
      3.900     1.900     1.900 peak   787 spectrum    1 weight  0.10000E+01 volume  0.28651E-03 ppm1     58.289 ppm2      2.765 CV     1
 ASSI {  789}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 16   and name HB1 ))
      3.900     1.900     1.900 peak   789 spectrum    1 weight  0.10000E+01 volume  0.72050E-03 ppm1     40.949 ppm2      2.809 CV     1
 OR {  789}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI {  792}
   (  segid "    " and resid 18   and name HE% )
   (( segid "    " and resid 16   and name HB2 ))
      5.400     3.600     0.600 peak   792 spectrum    1 weight  0.10000E+01 volume  0.22753E-03 ppm1     40.949 ppm2      7.390 CV     1
 ASSI {  794}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HB1 ))
      2.900     1.100     1.100 peak   794 spectrum    1 weight  0.10000E+01 volume  0.73731E-03 ppm1     40.949 ppm2      2.763 CV     1
 ASSI { 5912}
   (  segid "    " and resid 18   and name HE% )
   (( segid "    " and resid 18   and name HB1 ))
      4.800     2.800     1.200 peak  5912 spectrum    1 weight  0.10000E+01 volume  0.37920E-03 ppm1     40.573 ppm2      7.417 CV     1
 OR { 5912}
   (  segid "    " and resid 18   and name HE% )
   (( segid "    " and resid 18   and name HB2 ))
 ASSI { 5924}
   (( segid "    " and resid 99   and name HB2 ))
   (( segid "    " and resid 99   and name HB1 ))
      2.300     0.700     0.700 peak  5924 spectrum    1 weight  0.10000E+01 volume  0.26123E-02 ppm1     41.072 ppm2      1.747 CV     1
 ASSI { 5925}
   (( segid "    " and resid 99   and name HG  ))
   (( segid "    " and resid 99   and name HB1 ))
      1.900     0.500     0.500 peak  5925 spectrum    1 weight  0.10000E+01 volume  0.19264E-01 ppm1     41.072 ppm2      1.529 CV     1
 ASSI { 5926}
   (  segid "    " and resid 99   and name HD2%)
   (( segid "    " and resid 99   and name HB1 ))
      3.400     1.500     1.500 peak  5926 spectrum    1 weight  0.10000E+01 volume  0.85952E-03 ppm1     41.072 ppm2      0.706 CV     1
 ASSI { 5937}
   (( segid "    " and resid 99   and name HB1 ))
   (  segid "    " and resid 99   and name HD1%)
      3.400     1.400     1.400 peak  5937 spectrum    1 weight  0.10000E+01 volume  0.14916E-02 ppm1     23.946 ppm2      1.509 CV     1
 ASSI { 5939}
   (( segid "    " and resid 99   and name HB1 ))
   (( segid "    " and resid 99   and name HA  ))
      3.800     1.800     1.800 peak  5939 spectrum    1 weight  0.10000E+01 volume  0.30758E-03 ppm1     54.594 ppm2      1.509 CV     1
 ASSI { 5940}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 85   and name HB1 ))
      2.200     0.600     0.600 peak  5940 spectrum    1 weight  0.10000E+01 volume  0.11347E-01 ppm1     29.315 ppm2      2.030 CV     1
 OR { 5940}
   (( segid "    " and resid 85   and name HG1 ))
   (( segid "    " and resid 85   and name HB1 ))
 ASSI { 5941}
   (( segid "    " and resid 77   and name HB  ))
   (( segid "    " and resid 85   and name HB1 ))
      3.800     1.800     1.800 peak  5941 spectrum    1 weight  0.10000E+01 volume  0.99854E-03 ppm1     29.315 ppm2      2.334 CV     1
 ASSI { 5943}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 85   and name HB1 ))
      1.600     0.300     0.600 peak  5943 spectrum    1 weight  0.10000E+01 volume  0.27939E-01 ppm1     29.315 ppm2      1.976 CV     1
 ASSI { 5945}
   (( segid "    " and resid 1    and name HG2 ))
   (( segid "    " and resid 3    and name HG1 ))
      2.800     2.800     3.200 peak  5945 spectrum    1 weight  0.10000E+01 volume  0.64720E-02 ppm1     29.315 ppm2      2.195 CV     1
 ASSI { 5961}
   (( segid "    " and resid 98   and name HB1 ))
   (( segid "    " and resid 98   and name HA  ))
      3.700     1.700     1.700 peak  5961 spectrum    1 weight  0.10000E+01 volume  0.51825E-03 ppm1     55.619 ppm2      1.404 CV     1
 ASSI { 5973}
   (  segid "    " and resid 100  and name HG1%)
   (( segid "    " and resid 100  and name HA  ))
      3.300     1.400     1.400 peak  5973 spectrum    1 weight  0.10000E+01 volume  0.10618E-02 ppm1     59.319 ppm2      0.842 CV     1
 OR { 5973}
   (  segid "    " and resid 100  and name HG2%)
   (( segid "    " and resid 100  and name HA  ))
 ASSI { 5974}
   (( segid "    " and resid 100  and name HB  ))
   (( segid "    " and resid 100  and name HA  ))
      3.300     1.300     1.300 peak  5974 spectrum    1 weight  0.10000E+01 volume  0.98174E-03 ppm1     59.319 ppm2      1.930 CV     1
 ASSI { 5993}
   (( segid "    " and resid 113  and name HB1 ))
   (( segid "    " and resid 113  and name HA  ))
      3.200     1.300     1.300 peak  5993 spectrum    1 weight  0.10000E+01 volume  0.18075E-02 ppm1     57.732 ppm2      2.042 CV     1
 ASSI { 5996}
   (( segid "    " and resid 116  and name HG1 ))
   (( segid "    " and resid 116  and name HA  ))
      3.700     1.700     1.700 peak  5996 spectrum    1 weight  0.10000E+01 volume  0.11460E-02 ppm1     58.386 ppm2      2.036 CV     1
 ASSI { 5997}
   (( segid "    " and resid 116  and name HG2 ))
   (( segid "    " and resid 116  and name HA  ))
      3.700     1.700     1.700 peak  5997 spectrum    1 weight  0.10000E+01 volume  0.50982E-03 ppm1     58.386 ppm2      2.274 CV     1
 ASSI { 5999}
   (( segid "    " and resid 116  and name HG1 ))
   (( segid "    " and resid 116  and name HB1 ))
      1.700     0.400     0.500 peak  5999 spectrum    1 weight  0.10000E+01 volume  0.37065E-01 ppm1     29.507 ppm2      2.034 CV     1
 OR { 5999}
   (( segid "    " and resid 116  and name HG1 ))
   (( segid "    " and resid 116  and name HB2 ))
 ASSI {  801}
   (( segid "    " and resid 44   and name HD1 ))
   (( segid "    " and resid 65   and name HG2 ))
      2.900     2.900     3.100 peak   801 spectrum    1 weight  0.10000E+01 volume  0.18370E-02 ppm1     36.001 ppm2      2.329 CV     1
 ASSI {  803}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HB2 ))
      3.100     3.100     2.900 peak   803 spectrum    1 weight  0.10000E+01 volume  0.58145E-03 ppm1     36.001 ppm2      2.502 CV     1
 ASSI {  805}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 18   and name HA  ))
      3.900     1.900     1.900 peak   805 spectrum    1 weight  0.10000E+01 volume  0.17696E-03 ppm1     62.721 ppm2      1.882 CV     1
 ASSI {  807}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HA  ))
      3.700     1.700     1.700 peak   807 spectrum    1 weight  0.10000E+01 volume  0.44241E-03 ppm1     62.721 ppm2      2.838 CV     1
 OR {  807}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  812}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 19   and name HA  ))
      3.800     1.800     1.800 peak   812 spectrum    1 weight  0.10000E+01 volume  0.52667E-03 ppm1     68.186 ppm2      1.005 CV     1
 ASSI {  815}
   (  segid "    " and resid 19   and name HG1%)
   (( segid "    " and resid 19   and name HB  ))
      2.900     1.100     1.100 peak   815 spectrum    1 weight  0.10000E+01 volume  0.20435E-02 ppm1     31.748 ppm2      0.884 CV     1
 ASSI {  816}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 19   and name HB  ))
      3.400     1.500     1.500 peak   816 spectrum    1 weight  0.10000E+01 volume  0.75842E-03 ppm1     31.748 ppm2      1.006 CV     1
 ASSI {  817}
   (  segid "    " and resid 22   and name HG2%)
   (  segid "    " and resid 19   and name HG1%)
      4.600     2.700     1.400 peak   817 spectrum    1 weight  0.10000E+01 volume  0.32864E-03 ppm1     21.714 ppm2      0.609 CV     1
 ASSI {  819}
   (  segid "    " and resid 10   and name HG2%)
   (  segid "    " and resid 19   and name HG1%)
      4.700     2.700     1.300 peak   819 spectrum    1 weight  0.10000E+01 volume  0.29072E-03 ppm1     21.714 ppm2      1.075 CV     1
 OR {  819}
   (  segid "    " and resid 10   and name HG1%)
   (  segid "    " and resid 19   and name HG1%)
 ASSI {  820}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 19   and name HG1%)
      3.500     1.500     1.500 peak   820 spectrum    1 weight  0.10000E+01 volume  0.74578E-03 ppm1     21.714 ppm2      3.310 CV     1
 ASSI {  822}
   (  segid "    " and resid 19   and name HG2%)
   (  segid "    " and resid 19   and name HG1%)
      2.500     0.800     0.800 peak   822 spectrum    1 weight  0.10000E+01 volume  0.64505E-02 ppm1     21.714 ppm2      1.005 CV     1
 ASSI {  824}
   (( segid "    " and resid 20   and name HA1 ))
   (( segid "    " and resid 20   and name HA2 ))
      3.100     3.100     2.900 peak   824 spectrum    1 weight  0.10000E+01 volume  0.61515E-03 ppm1     47.311 ppm2      3.548 CV     1
 ASSI {  828}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 21   and name HA  ))
      3.200     1.300     1.300 peak   828 spectrum    1 weight  0.10000E+01 volume  0.19045E-02 ppm1     57.985 ppm2      1.868 CV     1
 ASSI {  829}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HA  ))
      3.000     1.100     1.100 peak   829 spectrum    1 weight  0.10000E+01 volume  0.12893E-02 ppm1     57.985 ppm2      2.038 CV     1
 ASSI {  830}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 21   and name HA  ))
      3.400     1.500     1.500 peak   830 spectrum    1 weight  0.10000E+01 volume  0.14157E-02 ppm1     57.985 ppm2      1.758 CV     1
 ASSI {  834}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HB1 ))
      1.800     0.400     0.400 peak   834 spectrum    1 weight  0.10000E+01 volume  0.11182E-01 ppm1     30.455 ppm2      2.035 CV     1
 ASSI {  836}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HD1 ))
      4.900     3.000     1.100 peak   836 spectrum    1 weight  0.10000E+01 volume  0.27387E-03 ppm1     43.305 ppm2      4.075 CV     1
 ASSI {  837}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 21   and name HD1 ))
      4.000     2.000     2.000 peak   837 spectrum    1 weight  0.10000E+01 volume  0.37499E-03 ppm1     43.305 ppm2      1.873 CV     1
 ASSI {  838}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 21   and name HD2 ))
      4.300     2.300     1.700 peak   838 spectrum    1 weight  0.10000E+01 volume  0.30758E-03 ppm1     43.305 ppm2      1.873 CV     1
 ASSI {  839}
   (( segid "    " and resid 21   and name HD1 ))
   (( segid "    " and resid 21   and name HD2 ))
      2.300     0.600     0.600 peak   839 spectrum    1 weight  0.10000E+01 volume  0.27050E-02 ppm1     43.305 ppm2      3.264 CV     1
 ASSI {  841}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 21   and name HD1 ))
      4.300     2.300     1.700 peak   841 spectrum    1 weight  0.10000E+01 volume  0.26966E-03 ppm1     43.305 ppm2      1.757 CV     1
 ASSI {  842}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 21   and name HG2 ))
      3.700     1.700     1.700 peak   842 spectrum    1 weight  0.10000E+01 volume  0.25702E-03 ppm1     27.397 ppm2      7.769 CV     1
 ASSI {  844}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 21   and name HG2 ))
      2.700     0.900     0.900 peak   844 spectrum    1 weight  0.10000E+01 volume  0.23132E-02 ppm1     27.397 ppm2      1.873 CV     1
 ASSI {  845}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HG2 ))
      3.800     1.800     1.800 peak   845 spectrum    1 weight  0.10000E+01 volume  0.46768E-03 ppm1     27.397 ppm2      2.035 CV     1
 ASSI {  846}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 21   and name HG2 ))
      4.100     2.100     1.900 peak   846 spectrum    1 weight  0.10000E+01 volume  0.16432E-03 ppm1     27.397 ppm2      3.337 CV     1
 ASSI {  847}
   (  segid "    " and resid 95   and name HG2%)
   (( segid "    " and resid 22   and name HA  ))
      3.800     1.800     1.800 peak   847 spectrum    1 weight  0.10000E+01 volume  0.79210E-03 ppm1     63.880 ppm2      0.891 CV     1
 ASSI {  848}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 22   and name HA  ))
      4.200     2.200     1.800 peak   848 spectrum    1 weight  0.10000E+01 volume  0.26544E-03 ppm1     63.880 ppm2      1.763 CV     1
 ASSI {  849}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      5.800     4.100     0.200 peak   849 spectrum    1 weight  0.10000E+01 volume  0.13904E-03 ppm1     63.880 ppm2      7.067 CV     1
 ASSI {  850}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 22   and name HA  ))
      3.600     1.600     1.600 peak   850 spectrum    1 weight  0.10000E+01 volume  0.74155E-03 ppm1     63.880 ppm2      0.603 CV     1
 ASSI {  852}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 22   and name HB  ))
      4.400     2.400     1.600 peak   852 spectrum    1 weight  0.10000E+01 volume  0.37920E-03 ppm1     38.777 ppm2      0.816 CV     1
 ASSI {  853}
   (( segid "    " and resid 23   and name HG  ))
   (( segid "    " and resid 22   and name HB  ))
      3.900     1.900     1.900 peak   853 spectrum    1 weight  0.10000E+01 volume  0.95646E-03 ppm1     38.777 ppm2      1.607 CV     1
 ASSI {  856}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 22   and name HB  ))
      3.300     1.300     1.300 peak   856 spectrum    1 weight  0.10000E+01 volume  0.85529E-03 ppm1     38.777 ppm2      0.592 CV     1
 ASSI {  857}
   (  segid "    " and resid 95   and name HG1%)
   (  segid "    " and resid 22   and name HD1%)
      2.900     1.000     1.000 peak   857 spectrum    1 weight  0.10000E+01 volume  0.22289E-02 ppm1     14.020 ppm2      0.796 CV     1
 ASSI {  859}
   (  segid "    " and resid 95   and name HG2%)
   (  segid "    " and resid 22   and name HD1%)
      3.100     1.200     1.200 peak   859 spectrum    1 weight  0.10000E+01 volume  0.21488E-02 ppm1     14.020 ppm2      0.916 CV     1
 ASSI {  860}
   (( segid "    " and resid 21   and name HG2 ))
   (  segid "    " and resid 22   and name HD1%)
      3.400     1.400     1.400 peak   860 spectrum    1 weight  0.10000E+01 volume  0.11208E-02 ppm1     14.020 ppm2      1.748 CV     1
 ASSI {  862}
   (( segid "    " and resid 18   and name HB2 ))
   (  segid "    " and resid 22   and name HD1%)
      4.500     2.500     1.500 peak   862 spectrum    1 weight  0.10000E+01 volume  0.23595E-03 ppm1     14.020 ppm2      2.845 CV     1
 OR {  862}
   (( segid "    " and resid 18   and name HB1 ))
   (  segid "    " and resid 22   and name HD1%)
 ASSI {  863}
   (( segid "    " and resid 21   and name HD2 ))
   (  segid "    " and resid 22   and name HD1%)
      4.300     2.400     1.700 peak   863 spectrum    1 weight  0.10000E+01 volume  0.28651E-03 ppm1     14.020 ppm2      3.333 CV     1
 ASSI {  865}
   (( segid "    " and resid 22   and name HB  ))
   (  segid "    " and resid 22   and name HD1%)
      3.400     1.400     1.400 peak   865 spectrum    1 weight  0.10000E+01 volume  0.13230E-02 ppm1     14.020 ppm2      1.554 CV     1
 ASSI {  866}
   (  segid "    " and resid 22   and name HG2%)
   (  segid "    " and resid 22   and name HD1%)
      1.800     0.400     0.400 peak   866 spectrum    1 weight  0.10000E+01 volume  0.37099E-01 ppm1     14.020 ppm2      0.606 CV     1
 ASSI {  867}
   (  segid "    " and resid 23   and name HD1%)
   (  segid "    " and resid 22   and name HG2%)
      3.100     1.200     1.200 peak   867 spectrum    1 weight  0.10000E+01 volume  0.16432E-02 ppm1     17.420 ppm2      0.792 CV     1
 ASSI {  868}
   (  segid "    " and resid 95   and name HG2%)
   (  segid "    " and resid 22   and name HG2%)
      3.200     1.300     1.300 peak   868 spectrum    1 weight  0.10000E+01 volume  0.14241E-02 ppm1     17.420 ppm2      0.892 CV     1
 ASSI {  870}
   (( segid "    " and resid 21   and name HG2 ))
   (  segid "    " and resid 22   and name HG2%)
      4.500     2.500     1.500 peak   870 spectrum    1 weight  0.10000E+01 volume  0.45504E-03 ppm1     17.420 ppm2      1.748 CV     1
 ASSI {  874}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 23   and name HA  ))
      3.900     1.900     1.900 peak   874 spectrum    1 weight  0.10000E+01 volume  0.29494E-03 ppm1     56.822 ppm2      1.908 CV     1
 OR {  874}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HA  ))
 ASSI {  875}
   (  segid "    " and resid 23   and name HD1%)
   (( segid "    " and resid 23   and name HA  ))
      3.600     1.600     1.600 peak   875 spectrum    1 weight  0.10000E+01 volume  0.99014E-03 ppm1     56.822 ppm2      0.793 CV     1
 ASSI {  876}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 23   and name HA  ))
      3.700     1.700     1.700 peak   876 spectrum    1 weight  0.10000E+01 volume  0.12135E-02 ppm1     56.822 ppm2      0.845 CV     1
 ASSI {  877}
   (( segid "    " and resid 23   and name HG  ))
   (( segid "    " and resid 23   and name HA  ))
      4.100     2.100     1.900 peak   877 spectrum    1 weight  0.10000E+01 volume  0.64467E-03 ppm1     56.822 ppm2      1.595 CV     1
 ASSI {  881}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 23   and name HG  ))
      3.200     1.200     1.200 peak   881 spectrum    1 weight  0.10000E+01 volume  0.11503E-02 ppm1     26.890 ppm2      1.912 CV     1
 OR {  881}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HG  ))
 ASSI {  882}
   (  segid "    " and resid 23   and name HD1%)
   (( segid "    " and resid 23   and name HG  ))
      3.600     1.600     1.600 peak   882 spectrum    1 weight  0.10000E+01 volume  0.54774E-03 ppm1     26.890 ppm2      0.795 CV     1
 ASSI {  883}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 23   and name HG  ))
      4.300     2.300     1.700 peak   883 spectrum    1 weight  0.10000E+01 volume  0.18960E-03 ppm1     26.890 ppm2      0.844 CV     1
 ASSI {  884}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 27   and name HA1 ))
      3.800     1.800     1.800 peak   884 spectrum    1 weight  0.10000E+01 volume  0.21910E-03 ppm1     46.573 ppm2      7.940 CV     1
 ASSI {  888}
   (( segid "    " and resid 27   and name HA1 ))
   (( segid "    " and resid 27   and name HA2 ))
      2.800     1.000     1.000 peak   888 spectrum    1 weight  0.10000E+01 volume  0.99437E-03 ppm1     46.580 ppm2      3.668 CV     1
 ASSI {  893}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB  ))
      4.000     2.000     2.000 peak   893 spectrum    1 weight  0.10000E+01 volume  0.31179E-03 ppm1     67.715 ppm2      3.952 CV     1
 ASSI {  895}
   (  segid "    " and resid 33   and name HD1%)
   (  segid "    " and resid 29   and name HG2%)
      3.600     1.600     1.600 peak   895 spectrum    1 weight  0.10000E+01 volume  0.79633E-03 ppm1     22.714 ppm2      0.789 CV     1
 ASSI {  896}
   (  segid "    " and resid 92   and name HG2%)
   (  segid "    " and resid 29   and name HG2%)
      3.700     3.700     2.300 peak   896 spectrum    1 weight  0.10000E+01 volume  0.83848E-03 ppm1     22.714 ppm2      0.887 CV     1
 ASSI {  897}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 29   and name HG2%)
      5.700     4.100     0.300 peak   897 spectrum    1 weight  0.10000E+01 volume  0.63204E-04 ppm1     22.714 ppm2      1.871 CV     1
 ASSI {  931}
   (( segid "    " and resid 21   and name HH22))
   (( segid "    " and resid 21   and name HB1 ))
      3.100     3.100     2.900 peak   931 spectrum    1 weight  0.10000E+01 volume  0.66148E-03 ppm1     32.697 ppm2      7.574 CV     1
 OR {  931}
   (( segid "    " and resid 21   and name HH21))
   (( segid "    " and resid 21   and name HB1 ))
 ASSI { 1040}
   (( segid "    " and resid 87   and name HD1 ))
   (  segid "    " and resid 37   and name HG2%)
      4.400     2.400     1.600 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.27808E-03 ppm1     21.127 ppm2      1.668 CV     1
 OR { 1040}
   (( segid "    " and resid 87   and name HD2 ))
   (  segid "    " and resid 37   and name HG2%)
 ASSI { 1164}
   (  segid "    " and resid 19   and name HG1%)
   (( segid "    " and resid 43   and name HB  ))
      3.000     1.100     1.100 peak  1164 spectrum    1 weight  0.10000E+01 volume  0.19213E-02 ppm1     31.493 ppm2      0.868 CV     1
 ASSI { 1171}
   (  segid "    " and resid 71   and name HD1%)
   (  segid "    " and resid 43   and name HG1%)
      2.800     1.000     1.000 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.28946E-02 ppm1     22.146 ppm2      0.612 CV     1
 ASSI { 1173}
   (( segid "    " and resid 22   and name HB  ))
   (  segid "    " and resid 43   and name HG1%)
      3.300     1.400     1.400 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.10365E-02 ppm1     22.146 ppm2      1.535 CV     1
 ASSI { 1177}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 43   and name HG1%)
      4.200     2.200     1.800 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.50560E-03 ppm1     22.146 ppm2      8.638 CV     1
 ASSI { 1223}
   (( segid "    " and resid 130  and name HG1 ))
   (( segid "    " and resid 132  and name HD1 ))
      4.200     2.300     1.800 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.34128E-03 ppm1     61.013 ppm2      1.323 CV     1
 OR { 1223}
   (( segid "    " and resid 130  and name HG2 ))
   (( segid "    " and resid 132  and name HD1 ))
 OR { 1223}
   (( segid "    " and resid 130  and name HG1 ))
   (( segid "    " and resid 132  and name HD2 ))
 OR { 1223}
   (( segid "    " and resid 130  and name HG2 ))
   (( segid "    " and resid 132  and name HD2 ))
 ASSI { 2076}
   (  segid "    " and resid 117  and name HD2%)
   (( segid "    " and resid 112  and name HG2 ))
      3.900     1.900     1.900 peak  2076 spectrum    1 weight  0.10000E+01 volume  0.17696E-03 ppm1     32.833 ppm2      0.825 CV     1
 OR { 2076}
   (  segid "    " and resid 117  and name HD2%)
   (( segid "    " and resid 112  and name HG2 ))
 ASSI { 1429}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 38   and name HA1 ))
      5.200     3.400     0.800 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.19381E-03 ppm1     58.912 ppm2      4.125 CV     1
 ASSI { 1485}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 65   and name HB2 ))
      4.000     2.000     2.000 peak  1485 spectrum    1 weight  0.10000E+01 volume  0.47611E-03 ppm1     27.849 ppm2      1.570 CV     1
 OR { 1485}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 65   and name HB2 ))
 OR { 1485}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 65   and name HB1 ))
 OR { 1485}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 65   and name HB1 ))
 ASSI { 2143}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 119  and name HB  ))
      4.800     2.900     1.200 peak  2143 spectrum    1 weight  0.10000E+01 volume  0.29494E-03 ppm1     38.311 ppm2      7.882 CV     1
 ASSI { 2148}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 119  and name HG11))
      4.900     3.000     1.100 peak  2148 spectrum    1 weight  0.10000E+01 volume  0.17696E-03 ppm1     28.263 ppm2      7.873 CV     1
 OR { 2148}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 119  and name HG12))
 ASSI { 1546}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 71   and name HD1%)
      3.400     1.400     1.400 peak  1546 spectrum    1 weight  0.10000E+01 volume  0.14621E-02 ppm1     24.096 ppm2      1.460 CV     1
 OR { 1546}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 71   and name HD1%)
 ASSI { 1556}
   (( segid "    " and resid 9    and name HD2 ))
   (( segid "    " and resid 72   and name HA  ))
      4.500     2.500     1.500 peak  1556 spectrum    1 weight  0.10000E+01 volume  0.50560E-03 ppm1     55.193 ppm2      1.937 CV     1
 OR { 1556}
   (( segid "    " and resid 9    and name HD1 ))
   (( segid "    " and resid 72   and name HA  ))
 ASSI { 1582}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 97   and name HD1 ))
      3.900     1.900     1.900 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.18118E-03 ppm1     45.403 ppm2      6.911 CV     1
 OR { 1582}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 97   and name HD1 ))
 OR { 1582}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 97   and name HD2 ))
 ASSI { 9402}
   (  segid "    " and resid 109  and name HD1%)
   (( segid "    " and resid 106  and name HA  ))
      2.700     0.900     0.900 peak  9402 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     55.619 ppm2      0.798 CV     1
 ASSI { 9428}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      2.300     2.300     3.700 peak  9428 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     57.985 ppm2      7.941 CV     1
 ASSI { 1629}
   (  segid "    " and resid 92   and name HG2%)
   (  segid "    " and resid 75   and name HG2%)
      3.900     3.900     2.100 peak  1629 spectrum    1 weight  0.10000E+01 volume  0.37920E-03 ppm1     19.540 ppm2      0.890 CV     1
 OR { 1629}
   (  segid "    " and resid 92   and name HG2%)
   (  segid "    " and resid 75   and name HG2%)
 OR { 1629}
   (  segid "    " and resid 92   and name HG1%)
   (  segid "    " and resid 75   and name HG2%)
 ASSI { 1645}
   (  segid "    " and resid 74   and name HD1%)
   (  segid "    " and resid 76   and name HG2%)
      3.800     1.800     1.800 peak  1645 spectrum    1 weight  0.10000E+01 volume  0.73314E-03 ppm1     21.120 ppm2      0.677 CV     1
 ASSI { 1663}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 77   and name HB  ))
      2.400     0.700     0.700 peak  1663 spectrum    1 weight  0.10000E+01 volume  0.50181E-02 ppm1     34.564 ppm2      2.457 CV     1
 OR { 1663}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 77   and name HB  ))
 ASSI { 1668}
   (( segid "    " and resid 2    and name HB2 ))
   (  segid "    " and resid 77   and name HG1%)
      3.500     1.500     1.500 peak  1668 spectrum    1 weight  0.10000E+01 volume  0.10197E-02 ppm1     20.706 ppm2      1.463 CV     1
 OR { 1668}
   (( segid "    " and resid 2    and name HB1 ))
   (  segid "    " and resid 77   and name HG1%)
 ASSI { 1675}
   (( segid "    " and resid 2    and name HN  ))
   (  segid "    " and resid 77   and name HG1%)
      3.900     1.900     1.900 peak  1675 spectrum    1 weight  0.10000E+01 volume  0.42134E-03 ppm1     20.706 ppm2      8.726 CV     1
 ASSI { 1681}
   (( segid "    " and resid 1    and name HB2 ))
   (( segid "    " and resid 78   and name HA  ))
      3.400     1.500     1.500 peak  1681 spectrum    1 weight  0.10000E+01 volume  0.55617E-03 ppm1     55.105 ppm2      1.931 CV     1
 OR { 1681}
   (( segid "    " and resid 1    and name HB1 ))
   (( segid "    " and resid 78   and name HA  ))
 ASSI { 1693}
   (( segid "    " and resid 1    and name HB1 ))
   (( segid "    " and resid 78   and name HG2 ))
      2.800     1.000     1.000 peak  1693 spectrum    1 weight  0.10000E+01 volume  0.25954E-02 ppm1     36.171 ppm2      1.922 CV     1
 OR { 1693}
   (( segid "    " and resid 1    and name HB1 ))
   (( segid "    " and resid 78   and name HG2 ))
 OR { 1693}
   (( segid "    " and resid 1    and name HB2 ))
   (( segid "    " and resid 78   and name HG2 ))
 OR { 1693}
   (( segid "    " and resid 1    and name HB1 ))
   (( segid "    " and resid 78   and name HG1 ))
 OR { 1693}
   (( segid "    " and resid 1    and name HB1 ))
   (( segid "    " and resid 78   and name HG1 ))
 ASSI {  482}
   (( segid "    " and resid 96   and name HG2 ))
   (( segid "    " and resid 97   and name HA  ))
      4.400     2.500     1.600 peak   482 spectrum    1 weight  0.10000E+01 volume  0.28230E-03 ppm1     24.568 ppm2      1.453 CV     1
 OR {  482}
   (( segid "    " and resid 96   and name HG1 ))
   (( segid "    " and resid 97   and name HA  ))
 ASSI {  493}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 34   and name HG2 ))
      3.800     1.800     1.800 peak   493 spectrum    1 weight  0.10000E+01 volume  0.13778E-02 ppm1     31.731 ppm2      1.822 CV     1
 OR {  493}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 34   and name HG1 ))
 ASSI { 1719}
   (( segid "    " and resid 93   and name HG1 ))
   (( segid "    " and resid 96   and name HA  ))
      5.100     3.300     0.900 peak  1719 spectrum    1 weight  0.10000E+01 volume  0.27808E-03 ppm1     59.910 ppm2      2.364 CV     1
 OR { 1719}
   (( segid "    " and resid 93   and name HG2 ))
   (( segid "    " and resid 96   and name HA  ))
 ASSI { 1756}
   (( segid "    " and resid 90   and name HD1 ))
   (  segid "    " and resid 33   and name HD2%)
      4.400     2.400     1.600 peak  1756 spectrum    1 weight  0.10000E+01 volume  0.45083E-03 ppm1     24.579 ppm2      3.197 CV     1
 OR { 1756}
   (( segid "    " and resid 90   and name HD2 ))
   (  segid "    " and resid 33   and name HD2%)
 OR { 1756}
   (( segid "    " and resid 90   and name HD2 ))
   (  segid "    " and resid 33   and name HD2%)
 ASSI {  544}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 3    and name HA  ))
      5.100     3.200     0.900 peak   544 spectrum    1 weight  0.10000E+01 volume  0.19381E-03 ppm1     53.898 ppm2      0.667 CV     1
 OR {  544}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 3    and name HA  ))
 OR {  544}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 3    and name HA  ))
 ASSI {  580}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 4    and name HB2 ))
      4.200     2.300     1.800 peak   580 spectrum    1 weight  0.10000E+01 volume  0.58145E-03 ppm1     34.413 ppm2      0.655 CV     1
 OR {  580}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 4    and name HB2 ))
 OR {  580}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 4    and name HB2 ))
 ASSI { 6368}
   (  segid "    " and resid 10   and name HG2%)
   (  segid "    " and resid 71   and name HD2%)
      2.700     0.900     0.900 peak  6368 spectrum    1 weight  0.10000E+01 volume  0.42134E-02 ppm1     26.791 ppm2      1.063 CV     1
 OR { 6368}
   (  segid "    " and resid 10   and name HG1%)
   (  segid "    " and resid 71   and name HD2%)
 ASSI {  635}
   (( segid "    " and resid 75   and name HB  ))
   (  segid "    " and resid 6    and name HD1%)
      3.700     1.700     1.700 peak   635 spectrum    1 weight  0.10000E+01 volume  0.11460E-02 ppm1     24.842 ppm2      1.490 CV     1
 ASSI {  654}
   (  segid "    " and resid 71   and name HD1%)
   (( segid "    " and resid 7    and name HA  ))
      5.300     3.500     0.700 peak   654 spectrum    1 weight  0.10000E+01 volume  0.15589E-03 ppm1     59.932 ppm2      0.622 CV     1
 ASSI {  683}
   (( segid "    " and resid 112  and name HG1 ))
   (( segid "    " and resid 116  and name HB1 ))
      4.400     2.500     1.600 peak   683 spectrum    1 weight  0.10000E+01 volume  0.53089E-03 ppm1     27.529 ppm2      2.561 CV     1
 OR {  683}
   (( segid "    " and resid 112  and name HG1 ))
   (( segid "    " and resid 116  and name HB2 ))
 ASSI { 1978}
   (( segid "    " and resid 21   and name HB1 ))
   (  segid "    " and resid 22   and name HD1%)
      3.900     1.900     1.900 peak  1978 spectrum    1 weight  0.10000E+01 volume  0.79210E-03 ppm1     23.946 ppm2      1.878 CV     1
 OR { 1978}
   (( segid "    " and resid 21   and name HB1 ))
   (  segid "    " and resid 22   and name HG2%)
 ASSI { 5913}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 18   and name HB2 ))
      4.300     2.300     1.700 peak  5913 spectrum    1 weight  0.10000E+01 volume  0.22753E-03 ppm1     40.573 ppm2      0.612 CV     1
 OR { 5913}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 18   and name HB1 ))
 ASSI {  858}
   (  segid "    " and resid 98   and name HD2%)
   (  segid "    " and resid 22   and name HD1%)
      2.600     0.800     0.800 peak   858 spectrum    1 weight  0.10000E+01 volume  0.23426E-02 ppm1     14.020 ppm2      0.862 CV     1
 ASSI {  885}
   (  segid "    " and resid 23   and name HD1%)
   (( segid "    " and resid 27   and name HA1 ))
      5.600     3.900     0.400 peak   885 spectrum    1 weight  0.10000E+01 volume  0.12219E-03 ppm1     46.580 ppm2      0.799 CV     1
 ASSI { 4115}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 57   and name HE21))
      2.200     2.200     3.800 peak  4115 spectrum    1 weight  0.10000E+01 volume  0.13676E-01 ppm1    110.729 ppm2      7.611 CV     1
 ASSI { 4120}
   (( segid "    " and resid 9    and name HG1 ))
   (  segid "    " and resid 13   and name HE% )
      4.800     2.900     1.200 peak  4120 spectrum    1 weight  0.10000E+01 volume  0.46836E-03 ppm1    111.658 ppm2      2.003 CV     1
 ASSI { 4130}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 57   and name HE21))
      2.000     2.000     4.000 peak  4130 spectrum    1 weight  0.10000E+01 volume  0.75539E-02 ppm1    112.199 ppm2      7.413 CV     1
 ASSI { 4148}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      4.500     2.600     1.500 peak  4148 spectrum    1 weight  0.10000E+01 volume  0.31670E-03 ppm1    116.620 ppm2      8.629 CV     1
 ASSI { 4159}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 64   and name HN  ))
      3.000     1.100     1.100 peak  4159 spectrum    1 weight  0.10000E+01 volume  0.53259E-02 ppm1    119.359 ppm2      2.018 CV     1
 OR { 4159}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 64   and name HN  ))
 ASSI { 4162}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 64   and name HN  ))
      3.400     1.400     1.400 peak  4162 spectrum    1 weight  0.10000E+01 volume  0.18912E-02 ppm1    119.359 ppm2      2.882 CV     1
 ASSI { 4163}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 64   and name HN  ))
      3.000     1.200     1.200 peak  4163 spectrum    1 weight  0.10000E+01 volume  0.95456E-03 ppm1    119.359 ppm2      3.337 CV     1
 ASSI { 4167}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      2.900     1.000     1.000 peak  4167 spectrum    1 weight  0.10000E+01 volume  0.13515E-02 ppm1    119.409 ppm2      8.773 CV     1
 ASSI { 4168}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      2.700     0.900     0.900 peak  4168 spectrum    1 weight  0.10000E+01 volume  0.17307E-02 ppm1    119.438 ppm2      9.430 CV     1
 ASSI { 4170}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      2.500     0.800     0.800 peak  4170 spectrum    1 weight  0.10000E+01 volume  0.39699E-02 ppm1    119.457 ppm2      4.368 CV     1
 ASSI { 4174}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      2.900     1.100     1.100 peak  4174 spectrum    1 weight  0.10000E+01 volume  0.17330E-02 ppm1    121.221 ppm2      8.651 CV     1
 ASSI { 4176}
   (  segid "    " and resid 10   and name HG1%)
   (( segid "    " and resid 8    and name HN  ))
      5.700     4.100     0.300 peak  4176 spectrum    1 weight  0.10000E+01 volume  0.69137E-04 ppm1    123.537 ppm2      1.051 CV     1
 OR { 4176}
   (  segid "    " and resid 10   and name HG2%)
   (( segid "    " and resid 8    and name HN  ))
 ASSI { 4179}
   (( segid "    " and resid 21   and name HD1 ))
   (( segid "    " and resid 21   and name HE  ))
      3.600     1.600     1.600 peak  4179 spectrum    1 weight  0.10000E+01 volume  0.43268E-03 ppm1     84.624 ppm2      3.284 CV     1
 OR { 4179}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 21   and name HE  ))
 ASSI { 4186}
   (( segid "    " and resid 1    and name HB1 ))
   (( segid "    " and resid 1    and name HE21))
      3.600     1.600     1.600 peak  4186 spectrum    1 weight  0.10000E+01 volume  0.82964E-03 ppm1    111.121 ppm2      1.914 CV     1
 ASSI { 4187}
   (( segid "    " and resid 1    and name HB1 ))
   (( segid "    " and resid 1    and name HE22))
      3.700     1.700     1.700 peak  4187 spectrum    1 weight  0.10000E+01 volume  0.89213E-03 ppm1    111.121 ppm2      1.915 CV     1
 ASSI { 4188}
   (( segid "    " and resid 1    and name HB2 ))
   (( segid "    " and resid 1    and name HE21))
      3.200     1.300     1.300 peak  4188 spectrum    1 weight  0.10000E+01 volume  0.11597E-02 ppm1    111.123 ppm2      1.946 CV     1
 ASSI { 4189}
   (( segid "    " and resid 1    and name HB2 ))
   (( segid "    " and resid 1    and name HE22))
      3.700     1.700     1.700 peak  4189 spectrum    1 weight  0.10000E+01 volume  0.14251E-02 ppm1    111.123 ppm2      1.946 CV     1
 ASSI { 4193}
   (( segid "    " and resid 1    and name HG1 ))
   (( segid "    " and resid 1    and name HE22))
      3.600     1.600     1.600 peak  4193 spectrum    1 weight  0.10000E+01 volume  0.18511E-02 ppm1    111.121 ppm2      2.039 CV     1
 ASSI { 6884}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 61   and name HN  ))
      3.000     1.100     1.100 peak  6884 spectrum    1 weight  0.10000E+01 volume  0.22370E-02 ppm1    121.170 ppm2      3.344 CV     1
 ASSI { 6885}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      2.700     0.900     0.900 peak  6885 spectrum    1 weight  0.10000E+01 volume  0.22370E-02 ppm1    121.170 ppm2      4.571 CV     1
 ASSI { 6887}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 61   and name HN  ))
      2.900     1.000     1.000 peak  6887 spectrum    1 weight  0.10000E+01 volume  0.22370E-02 ppm1    121.170 ppm2      1.373 CV     1
 OR { 6887}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 61   and name HN  ))
 ASSI { 6888}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 61   and name HN  ))
      3.100     1.200     1.200 peak  6888 spectrum    1 weight  0.10000E+01 volume  0.22370E-02 ppm1    121.170 ppm2      1.581 CV     1
 OR { 6888}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 61   and name HN  ))
 ASSI { 4200}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 2    and name HN  ))
      2.500     0.800     0.800 peak  4200 spectrum    1 weight  0.10000E+01 volume  0.47571E-02 ppm1    125.139 ppm2      5.063 CV     1
 ASSI { 4201}
   (( segid "    " and resid 1    and name HB2 ))
   (( segid "    " and resid 2    and name HN  ))
      2.800     1.000     1.000 peak  4201 spectrum    1 weight  0.10000E+01 volume  0.14229E-02 ppm1    125.143 ppm2      1.909 CV     1
 OR { 4201}
   (( segid "    " and resid 1    and name HB1 ))
   (( segid "    " and resid 2    and name HN  ))
 ASSI { 4202}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HN  ))
      3.000     1.100     1.100 peak  4202 spectrum    1 weight  0.10000E+01 volume  0.13002E-02 ppm1    125.136 ppm2      4.663 CV     1
 ASSI { 4204}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 2    and name HN  ))
      3.600     1.600     1.600 peak  4204 spectrum    1 weight  0.10000E+01 volume  0.16102E-02 ppm1    125.143 ppm2      0.741 CV     1
 ASSI { 4205}
   (  segid "    " and resid 2    and name HD2%)
   (( segid "    " and resid 2    and name HN  ))
      3.400     1.500     1.500 peak  4205 spectrum    1 weight  0.10000E+01 volume  0.15813E-02 ppm1    125.142 ppm2      0.852 CV     1
 ASSI { 4209}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      2.300     0.700     0.700 peak  4209 spectrum    1 weight  0.10000E+01 volume  0.62826E-02 ppm1    115.888 ppm2      4.663 CV     1
 ASSI { 4210}
   (( segid "    " and resid 2    and name HB1 ))
   (( segid "    " and resid 3    and name HN  ))
      2.800     1.000     1.000 peak  4210 spectrum    1 weight  0.10000E+01 volume  0.47705E-02 ppm1    115.891 ppm2      1.457 CV     1
 OR { 4210}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 3    and name HN  ))
 ASSI { 4211}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 3    and name HN  ))
      2.900     2.900     3.100 peak  4211 spectrum    1 weight  0.10000E+01 volume  0.25448E-02 ppm1    115.885 ppm2      0.741 CV     1
 ASSI { 4212}
   (  segid "    " and resid 2    and name HD2%)
   (( segid "    " and resid 3    and name HN  ))
      3.300     1.400     1.400 peak  4212 spectrum    1 weight  0.10000E+01 volume  0.19180E-02 ppm1    115.895 ppm2      0.852 CV     1
 ASSI { 4213}
   (( segid "    " and resid 2    and name HG  ))
   (( segid "    " and resid 3    and name HN  ))
      2.800     2.800     3.200 peak  4213 spectrum    1 weight  0.10000E+01 volume  0.45565E-02 ppm1    115.892 ppm2      1.411 CV     1
 ASSI { 4215}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      3.100     1.200     1.200 peak  4215 spectrum    1 weight  0.10000E+01 volume  0.10148E-02 ppm1    115.909 ppm2      5.600 CV     1
 ASSI { 4216}
   (( segid "    " and resid 3    and name HB1 ))
   (( segid "    " and resid 3    and name HN  ))
      3.500     1.500     1.500 peak  4216 spectrum    1 weight  0.10000E+01 volume  0.12579E-02 ppm1    115.889 ppm2      1.757 CV     1
 ASSI { 4217}
   (( segid "    " and resid 3    and name HG1 ))
   (( segid "    " and resid 3    and name HN  ))
      2.500     0.800     0.800 peak  4217 spectrum    1 weight  0.10000E+01 volume  0.37402E-02 ppm1    115.899 ppm2      1.999 CV     1
 ASSI { 4218}
   (( segid "    " and resid 3    and name HG2 ))
   (( segid "    " and resid 3    and name HN  ))
      2.900     1.000     1.000 peak  4218 spectrum    1 weight  0.10000E+01 volume  0.29328E-02 ppm1    115.894 ppm2      2.135 CV     1
 ASSI { 4220}
   (( segid "    " and resid 4    and name HG1 ))
   (( segid "    " and resid 3    and name HN  ))
      2.900     2.900     3.100 peak  4220 spectrum    1 weight  0.10000E+01 volume  0.37446E-02 ppm1    115.906 ppm2      2.055 CV     1
 ASSI { 4221}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 3    and name HN  ))
      2.600     2.600     3.400 peak  4221 spectrum    1 weight  0.10000E+01 volume  0.35216E-02 ppm1    115.901 ppm2      2.102 CV     1
 ASSI { 4222}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HN  ))
      4.200     2.200     1.800 peak  4222 spectrum    1 weight  0.10000E+01 volume  0.44828E-03 ppm1    115.963 ppm2      8.890 CV     1
 ASSI { 4223}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 3    and name HE22))
      4.800     2.900     1.200 peak  4223 spectrum    1 weight  0.10000E+01 volume  0.57095E-03 ppm1    110.833 ppm2      1.885 CV     1
 ASSI { 4225}
   (( segid "    " and resid 3    and name HE22))
   (( segid "    " and resid 3    and name HE21))
      1.600     0.300     0.600 peak  4225 spectrum    1 weight  0.10000E+01 volume  0.18558E-01 ppm1    110.833 ppm2      7.377 CV     1
 ASSI { 4226}
   (( segid "    " and resid 3    and name HG1 ))
   (( segid "    " and resid 3    and name HE21))
      3.300     1.400     1.400 peak  4226 spectrum    1 weight  0.10000E+01 volume  0.92335E-03 ppm1    110.833 ppm2      1.999 CV     1
 ASSI { 4228}
   (( segid "    " and resid 3    and name HG2 ))
   (( segid "    " and resid 3    and name HE21))
      3.600     1.700     1.700 peak  4228 spectrum    1 weight  0.10000E+01 volume  0.70926E-03 ppm1    110.833 ppm2      2.133 CV     1
 ASSI { 4230}
   (( segid "    " and resid 5    and name HD1 ))
   (( segid "    " and resid 3    and name HE21))
      4.200     2.200     1.800 peak  4230 spectrum    1 weight  0.10000E+01 volume  0.43713E-03 ppm1    110.833 ppm2      0.934 CV     1
 ASSI { 4231}
   (( segid "    " and resid 5    and name HD1 ))
   (( segid "    " and resid 3    and name HE22))
      4.600     2.700     1.400 peak  4231 spectrum    1 weight  0.10000E+01 volume  0.55534E-03 ppm1    110.833 ppm2      0.936 CV     1
 ASSI { 4232}
   (( segid "    " and resid 5    and name HG1 ))
   (( segid "    " and resid 3    and name HE21))
      3.500     1.600     1.600 peak  4232 spectrum    1 weight  0.10000E+01 volume  0.58656E-03 ppm1    110.833 ppm2      0.669 CV     1
 ASSI { 4233}
   (( segid "    " and resid 5    and name HG1 ))
   (( segid "    " and resid 3    and name HE22))
      4.400     2.500     1.600 peak  4233 spectrum    1 weight  0.10000E+01 volume  0.62225E-03 ppm1    110.833 ppm2      0.669 CV     1
 ASSI { 4234}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 4    and name HN  ))
      5.000     3.100     1.000 peak  4234 spectrum    1 weight  0.10000E+01 volume  0.13159E-03 ppm1    121.571 ppm2      1.468 CV     1
 ASSI { 4235}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 4    and name HN  ))
      3.500     1.500     1.500 peak  4235 spectrum    1 weight  0.10000E+01 volume  0.22749E-02 ppm1    121.576 ppm2      0.636 CV     1
 ASSI { 4236}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      2.300     0.700     0.700 peak  4236 spectrum    1 weight  0.10000E+01 volume  0.38294E-02 ppm1    121.591 ppm2      5.599 CV     1
 ASSI { 4237}
   (( segid "    " and resid 3    and name HB1 ))
   (( segid "    " and resid 4    and name HN  ))
      2.800     1.000     1.000 peak  4237 spectrum    1 weight  0.10000E+01 volume  0.26094E-02 ppm1    121.575 ppm2      1.758 CV     1
 ASSI { 4238}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 4    and name HN  ))
      3.100     1.200     1.200 peak  4238 spectrum    1 weight  0.10000E+01 volume  0.16392E-02 ppm1    121.577 ppm2      1.886 CV     1
 ASSI { 4239}
   (( segid "    " and resid 3    and name HG1 ))
   (( segid "    " and resid 4    and name HN  ))
      4.200     2.200     1.800 peak  4239 spectrum    1 weight  0.10000E+01 volume  0.86313E-03 ppm1    121.575 ppm2      1.999 CV     1
 ASSI { 4240}
   (( segid "    " and resid 3    and name HG2 ))
   (( segid "    " and resid 4    and name HN  ))
      4.400     2.400     1.600 peak  4240 spectrum    1 weight  0.10000E+01 volume  0.60663E-03 ppm1    121.584 ppm2      2.135 CV     1
 ASSI { 4242}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      3.100     1.200     1.200 peak  4242 spectrum    1 weight  0.10000E+01 volume  0.95899E-03 ppm1    121.575 ppm2      4.534 CV     1
 ASSI { 4243}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HN  ))
      3.400     1.500     1.500 peak  4243 spectrum    1 weight  0.10000E+01 volume  0.18868E-02 ppm1    121.572 ppm2      1.578 CV     1
 ASSI { 4244}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HN  ))
      2.800     1.000     1.000 peak  4244 spectrum    1 weight  0.10000E+01 volume  0.21477E-02 ppm1    121.575 ppm2      1.752 CV     1
 ASSI { 4247}
   (( segid "    " and resid 5    and name HD1 ))
   (( segid "    " and resid 4    and name HN  ))
      5.300     3.500     0.700 peak  4247 spectrum    1 weight  0.10000E+01 volume  0.11374E-03 ppm1    121.575 ppm2      0.918 CV     1
 ASSI { 4248}
   (( segid "    " and resid 5    and name HG1 ))
   (( segid "    " and resid 4    and name HN  ))
      2.700     2.700     3.300 peak  4248 spectrum    1 weight  0.10000E+01 volume  0.25693E-02 ppm1    121.573 ppm2      0.704 CV     1
 ASSI { 4250}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      4.200     2.200     1.800 peak  4250 spectrum    1 weight  0.10000E+01 volume  0.47059E-03 ppm1    121.589 ppm2      5.355 CV     1
 ASSI { 4251}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      2.200     0.600     0.600 peak  4251 spectrum    1 weight  0.10000E+01 volume  0.81649E-02 ppm1    123.519 ppm2      4.534 CV     1
 ASSI { 4252}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 5    and name HN  ))
      3.000     1.100     1.100 peak  4252 spectrum    1 weight  0.10000E+01 volume  0.31893E-02 ppm1    123.516 ppm2      1.575 CV     1
 ASSI { 4253}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 5    and name HN  ))
      3.100     1.200     1.200 peak  4253 spectrum    1 weight  0.10000E+01 volume  0.28748E-02 ppm1    123.524 ppm2      1.751 CV     1
 ASSI { 4256}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      3.700     1.800     1.800 peak  4256 spectrum    1 weight  0.10000E+01 volume  0.77390E-03 ppm1    123.522 ppm2      8.890 CV     1
 ASSI { 4258}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HN  ))
      3.200     1.300     1.300 peak  4258 spectrum    1 weight  0.10000E+01 volume  0.25514E-02 ppm1    123.517 ppm2      1.050 CV     1
 ASSI { 4259}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HN  ))
      2.700     0.900     0.900 peak  4259 spectrum    1 weight  0.10000E+01 volume  0.23641E-02 ppm1    123.519 ppm2      1.335 CV     1
 ASSI { 4260}
   (( segid "    " and resid 5    and name HD1 ))
   (( segid "    " and resid 5    and name HN  ))
      4.400     2.400     1.600 peak  4260 spectrum    1 weight  0.10000E+01 volume  0.12490E-03 ppm1    123.522 ppm2      0.918 CV     1
 ASSI { 4261}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 5    and name HN  ))
      2.900     1.000     1.000 peak  4261 spectrum    1 weight  0.10000E+01 volume  0.16615E-02 ppm1    123.530 ppm2      1.126 CV     1
 ASSI { 4262}
   (( segid "    " and resid 5    and name HG1 ))
   (( segid "    " and resid 5    and name HN  ))
      2.700     0.900     0.900 peak  4262 spectrum    1 weight  0.10000E+01 volume  0.23284E-02 ppm1    123.517 ppm2      0.705 CV     1
 ASSI { 4263}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 5    and name HN  ))
      3.300     1.400     1.400 peak  4263 spectrum    1 weight  0.10000E+01 volume  0.25381E-02 ppm1    123.519 ppm2      1.006 CV     1
 ASSI { 4264}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 5    and name HN  ))
      3.300     3.300     2.700 peak  4264 spectrum    1 weight  0.10000E+01 volume  0.26540E-02 ppm1    123.517 ppm2      1.359 CV     1
 OR { 4264}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 5    and name HN  ))
 ASSI { 4265}
   (  segid "    " and resid 6    and name HD1%)
   (( segid "    " and resid 5    and name HN  ))
      3.400     3.400     2.600 peak  4265 spectrum    1 weight  0.10000E+01 volume  0.21388E-02 ppm1    123.520 ppm2      0.780 CV     1
 ASSI { 4266}
   (  segid "    " and resid 6    and name HD2%)
   (( segid "    " and resid 5    and name HN  ))
      3.100     1.200     1.200 peak  4266 spectrum    1 weight  0.10000E+01 volume  0.15144E-02 ppm1    123.522 ppm2      0.808 CV     1
 ASSI { 4267}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      4.100     2.100     1.900 peak  4267 spectrum    1 weight  0.10000E+01 volume  0.54196E-03 ppm1    123.521 ppm2      8.862 CV     1
 ASSI { 4270}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      2.300     0.600     0.600 peak  4270 spectrum    1 weight  0.10000E+01 volume  0.41015E-02 ppm1    124.638 ppm2      5.047 CV     1
 ASSI { 4271}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 6    and name HN  ))
      3.400     1.400     1.400 peak  4271 spectrum    1 weight  0.10000E+01 volume  0.10794E-02 ppm1    124.626 ppm2      1.049 CV     1
 ASSI { 4272}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
      3.200     1.300     1.300 peak  4272 spectrum    1 weight  0.10000E+01 volume  0.27343E-02 ppm1    124.628 ppm2      1.325 CV     1
 ASSI { 4274}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 6    and name HN  ))
      4.300     2.300     1.700 peak  4274 spectrum    1 weight  0.10000E+01 volume  0.11017E-02 ppm1    124.631 ppm2      1.006 CV     1
 ASSI { 4276}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      3.100     1.200     1.200 peak  4276 spectrum    1 weight  0.10000E+01 volume  0.92107E-03 ppm1    124.632 ppm2      4.657 CV     1
 ASSI { 4277}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 6    and name HN  ))
      2.700     0.900     0.900 peak  4277 spectrum    1 weight  0.10000E+01 volume  0.32138E-02 ppm1    124.629 ppm2      1.361 CV     1
 OR { 4277}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
 ASSI { 4278}
   (  segid "    " and resid 6    and name HD1%)
   (( segid "    " and resid 6    and name HN  ))
      3.700     1.700     1.700 peak  4278 spectrum    1 weight  0.10000E+01 volume  0.20006E-02 ppm1    124.634 ppm2      0.781 CV     1
 ASSI { 4279}
   (  segid "    " and resid 6    and name HD2%)
   (( segid "    " and resid 6    and name HN  ))
      3.500     1.500     1.500 peak  4279 spectrum    1 weight  0.10000E+01 volume  0.13604E-02 ppm1    124.629 ppm2      0.809 CV     1
 ASSI { 4280}
   (( segid "    " and resid 6    and name HG  ))
   (( segid "    " and resid 6    and name HN  ))
      2.500     0.800     0.800 peak  4280 spectrum    1 weight  0.10000E+01 volume  0.24689E-02 ppm1    124.631 ppm2      1.448 CV     1
 ASSI { 4282}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 7    and name HN  ))
      3.400     1.500     1.500 peak  4282 spectrum    1 weight  0.10000E+01 volume  0.88543E-03 ppm1    123.133 ppm2      2.622 CV     1
 ASSI { 4285}
   (  segid "    " and resid 7    and name HD% )
   (( segid "    " and resid 7    and name HN  ))
      3.200     1.300     1.300 peak  4285 spectrum    1 weight  0.10000E+01 volume  0.11084E-02 ppm1    123.139 ppm2      7.101 CV     1
 ASSI { 4286}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      2.300     0.700     0.700 peak  4286 spectrum    1 weight  0.10000E+01 volume  0.46033E-02 ppm1    123.136 ppm2      4.655 CV     1
 ASSI { 4287}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 7    and name HN  ))
      3.700     1.700     1.700 peak  4287 spectrum    1 weight  0.10000E+01 volume  0.14675E-02 ppm1    123.135 ppm2      1.359 CV     1
 OR { 4287}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 7    and name HN  ))
 ASSI { 4288}
   (  segid "    " and resid 6    and name HD1%)
   (( segid "    " and resid 7    and name HN  ))
      4.200     2.200     1.800 peak  4288 spectrum    1 weight  0.10000E+01 volume  0.11106E-02 ppm1    123.133 ppm2      0.780 CV     1
 ASSI { 4289}
   (  segid "    " and resid 6    and name HD2%)
   (( segid "    " and resid 7    and name HN  ))
      2.900     2.900     3.100 peak  4289 spectrum    1 weight  0.10000E+01 volume  0.10215E-02 ppm1    123.133 ppm2      0.808 CV     1
 ASSI { 4291}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      3.100     1.200     1.200 peak  4291 spectrum    1 weight  0.10000E+01 volume  0.85643E-03 ppm1    123.131 ppm2      4.355 CV     1
 ASSI { 4292}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 7    and name HN  ))
      3.700     1.800     1.800 peak  4292 spectrum    1 weight  0.10000E+01 volume  0.22548E-02 ppm1    123.129 ppm2      2.749 CV     1
 ASSI { 4293}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HN  ))
      2.700     0.900     0.900 peak  4293 spectrum    1 weight  0.10000E+01 volume  0.14898E-02 ppm1    123.131 ppm2      3.026 CV     1
 ASSI { 4295}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 8    and name HN  ))
      3.500     1.600     1.600 peak  4295 spectrum    1 weight  0.10000E+01 volume  0.62225E-03 ppm1    123.700 ppm2      0.210 CV     1
 ASSI { 4296}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 8    and name HN  ))
      3.200     1.300     1.300 peak  4296 spectrum    1 weight  0.10000E+01 volume  0.13448E-02 ppm1    123.702 ppm2      1.500 CV     1
 ASSI { 4297}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 8    and name HN  ))
      4.100     2.100     1.900 peak  4297 spectrum    1 weight  0.10000E+01 volume  0.40814E-03 ppm1    123.702 ppm2      2.055 CV     1
 ASSI { 4298}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      3.100     1.200     1.200 peak  4298 spectrum    1 weight  0.10000E+01 volume  0.97466E-03 ppm1    123.702 ppm2      5.113 CV     1
 ASSI { 4299}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      2.500     0.800     0.800 peak  4299 spectrum    1 weight  0.10000E+01 volume  0.22860E-02 ppm1    123.703 ppm2      4.346 CV     1
 ASSI { 4300}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 8    and name HN  ))
      3.300     1.400     1.400 peak  4300 spectrum    1 weight  0.10000E+01 volume  0.10170E-02 ppm1    123.696 ppm2      2.749 CV     1
 ASSI { 4301}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      4.600     2.600     1.400 peak  4301 spectrum    1 weight  0.10000E+01 volume  0.49512E-03 ppm1    123.701 ppm2      3.003 CV     1
 ASSI { 4302}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      4.700     2.800     1.300 peak  4302 spectrum    1 weight  0.10000E+01 volume  0.39253E-03 ppm1    123.701 ppm2      8.869 CV     1
 ASSI { 4304}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      3.700     1.700     1.700 peak  4304 spectrum    1 weight  0.10000E+01 volume  0.33008E-03 ppm1    123.704 ppm2      3.910 CV     1
 ASSI { 4305}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      5.200     3.400     0.800 peak  4305 spectrum    1 weight  0.10000E+01 volume  0.12490E-03 ppm1    123.698 ppm2      2.627 CV     1
 ASSI { 4307}
   (  segid "    " and resid 99   and name HD2%)
   (( segid "    " and resid 8    and name HN  ))
      2.900     2.900     3.100 peak  4307 spectrum    1 weight  0.10000E+01 volume  0.97687E-03 ppm1    123.696 ppm2      0.707 CV     1
 ASSI { 4308}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      4.100     2.100     1.900 peak  4308 spectrum    1 weight  0.10000E+01 volume  0.44828E-03 ppm1    121.825 ppm2      7.782 CV     1
 ASSI { 4309}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 10   and name HN  ))
      3.900     1.900     1.900 peak  4309 spectrum    1 weight  0.10000E+01 volume  0.51073E-03 ppm1    121.828 ppm2      0.224 CV     1
 ASSI { 4310}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      3.800     1.800     1.800 peak  4310 spectrum    1 weight  0.10000E+01 volume  0.88316E-03 ppm1    121.828 ppm2      1.895 CV     1
 ASSI { 4311}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 10   and name HN  ))
      5.700     4.000     0.300 peak  4311 spectrum    1 weight  0.10000E+01 volume  0.84752E-04 ppm1    121.859 ppm2      2.825 CV     1
 OR { 4311}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
 ASSI { 4313}
   (  segid "    " and resid 71   and name HD2%)
   (( segid "    " and resid 10   and name HN  ))
      4.500     2.500     1.500 peak  4313 spectrum    1 weight  0.10000E+01 volume  0.35685E-03 ppm1    121.828 ppm2      0.738 CV     1
 ASSI { 4314}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      2.500     0.800     0.800 peak  4314 spectrum    1 weight  0.10000E+01 volume  0.33699E-02 ppm1    121.828 ppm2      4.963 CV     1
 ASSI { 4315}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 10   and name HN  ))
      4.500     2.500     1.500 peak  4315 spectrum    1 weight  0.10000E+01 volume  0.75829E-03 ppm1    121.828 ppm2      1.950 CV     1
 ASSI { 4316}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      4.200     2.300     1.800 peak  4316 spectrum    1 weight  0.10000E+01 volume  0.45944E-03 ppm1    121.828 ppm2      2.628 CV     1
 ASSI { 4318}
   (( segid "    " and resid 10   and name HB  ))
   (( segid "    " and resid 10   and name HN  ))
      2.600     0.800     0.800 peak  4318 spectrum    1 weight  0.10000E+01 volume  0.21366E-02 ppm1    121.828 ppm2      2.161 CV     1
 ASSI { 4319}
   (  segid "    " and resid 10   and name HG1%)
   (( segid "    " and resid 10   and name HN  ))
      2.700     0.900     0.900 peak  4319 spectrum    1 weight  0.10000E+01 volume  0.45051E-02 ppm1    121.828 ppm2      1.060 CV     1
 OR { 4319}
   (  segid "    " and resid 10   and name HG2%)
   (( segid "    " and resid 10   and name HN  ))
 ASSI { 4320}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      4.200     2.200     1.800 peak  4320 spectrum    1 weight  0.10000E+01 volume  0.81851E-03 ppm1    121.828 ppm2      1.714 CV     1
 OR { 4320}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 10   and name HN  ))
 ASSI { 4322}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 10   and name HN  ))
      3.900     1.900     1.900 peak  4322 spectrum    1 weight  0.10000E+01 volume  0.34792E-03 ppm1    121.828 ppm2      0.601 CV     1
 ASSI { 4324}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
      3.000     3.000     3.000 peak  4324 spectrum    1 weight  0.10000E+01 volume  0.18979E-02 ppm1    117.600 ppm2      2.612 CV     1
 ASSI { 4325}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      3.800     1.800     1.800 peak  4325 spectrum    1 weight  0.10000E+01 volume  0.41037E-03 ppm1    117.601 ppm2      4.975 CV     1
 ASSI { 4326}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.500     2.500     3.500 peak  4326 spectrum    1 weight  0.10000E+01 volume  0.46635E-02 ppm1    117.599 ppm2      3.925 CV     1
 ASSI { 4327}
   (( segid "    " and resid 10   and name HB  ))
   (( segid "    " and resid 11   and name HN  ))
      2.800     1.000     1.000 peak  4327 spectrum    1 weight  0.10000E+01 volume  0.35105E-02 ppm1    117.594 ppm2      2.151 CV     1
 ASSI { 4328}
   (  segid "    " and resid 10   and name HG1%)
   (( segid "    " and resid 11   and name HN  ))
      2.500     0.800     0.800 peak  4328 spectrum    1 weight  0.10000E+01 volume  0.43647E-02 ppm1    117.594 ppm2      1.057 CV     1
 ASSI { 4330}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.400     0.700     0.700 peak  4330 spectrum    1 weight  0.10000E+01 volume  0.51742E-02 ppm1    117.601 ppm2      3.981 CV     1
 ASSI { 4331}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
      2.500     0.800     0.800 peak  4331 spectrum    1 weight  0.10000E+01 volume  0.56047E-02 ppm1    117.599 ppm2      1.712 CV     1
 OR { 4331}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HN  ))
 ASSI { 4334}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 11   and name HN  ))
      4.000     2.000     2.000 peak  4334 spectrum    1 weight  0.10000E+01 volume  0.23775E-02 ppm1    117.599 ppm2      1.411 CV     1
 ASSI { 4335}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
      3.000     3.000     3.000 peak  4335 spectrum    1 weight  0.10000E+01 volume  0.43713E-02 ppm1    117.596 ppm2      1.853 CV     1
 ASSI { 4336}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      2.500     0.800     0.800 peak  4336 spectrum    1 weight  0.10000E+01 volume  0.28525E-02 ppm1    117.601 ppm2      7.791 CV     1
 ASSI { 4339}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      4.100     2.100     1.900 peak  4339 spectrum    1 weight  0.10000E+01 volume  0.43936E-03 ppm1    117.581 ppm2      4.974 CV     1
 ASSI { 4341}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      4.000     2.000     2.000 peak  4341 spectrum    1 weight  0.10000E+01 volume  0.12490E-03 ppm1    117.587 ppm2      2.608 CV     1
 ASSI { 4342}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.800     1.000     1.000 peak  4342 spectrum    1 weight  0.10000E+01 volume  0.26495E-02 ppm1    117.587 ppm2      3.941 CV     1
 ASSI { 4343}
   (( segid "    " and resid 10   and name HB  ))
   (( segid "    " and resid 12   and name HN  ))
      2.900     2.900     3.100 peak  4343 spectrum    1 weight  0.10000E+01 volume  0.54218E-02 ppm1    117.585 ppm2      2.159 CV     1
 ASSI { 4346}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      2.800     1.000     1.000 peak  4346 spectrum    1 weight  0.10000E+01 volume  0.20363E-02 ppm1    117.583 ppm2      1.702 CV     1
 OR { 4346}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 12   and name HN  ))
 ASSI { 4348}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.500     0.800     0.800 peak  4348 spectrum    1 weight  0.10000E+01 volume  0.43156E-02 ppm1    117.586 ppm2      3.808 CV     1
 ASSI { 4349}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HN  ))
      3.500     1.600     1.600 peak  4349 spectrum    1 weight  0.10000E+01 volume  0.22816E-02 ppm1    117.588 ppm2      1.411 CV     1
 ASSI { 4350}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      2.100     0.600     0.600 peak  4350 spectrum    1 weight  0.10000E+01 volume  0.48018E-02 ppm1    117.586 ppm2      1.852 CV     1
 ASSI { 4352}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HN  ))
      2.500     0.800     0.800 peak  4352 spectrum    1 weight  0.10000E+01 volume  0.51519E-02 ppm1    117.584 ppm2      2.043 CV     1
 ASSI { 4353}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      2.600     0.800     0.800 peak  4353 spectrum    1 weight  0.10000E+01 volume  0.27187E-02 ppm1    117.585 ppm2      7.259 CV     1
 ASSI { 4354}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
      4.800     2.900     1.200 peak  4354 spectrum    1 weight  0.10000E+01 volume  0.26540E-03 ppm1    115.273 ppm2      2.636 CV     1
 ASSI { 4359}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 13   and name HN  ))
      4.400     2.400     1.600 peak  4359 spectrum    1 weight  0.10000E+01 volume  0.14854E-02 ppm1    115.291 ppm2      1.965 CV     1
 ASSI { 4362}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      3.500     1.500     1.500 peak  4362 spectrum    1 weight  0.10000E+01 volume  0.87873E-03 ppm1    115.288 ppm2      3.808 CV     1
 ASSI { 4363}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 13   and name HN  ))
      3.700     1.700     1.700 peak  4363 spectrum    1 weight  0.10000E+01 volume  0.84303E-03 ppm1    115.291 ppm2      1.411 CV     1
 ASSI { 4364}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
      2.700     0.900     0.900 peak  4364 spectrum    1 weight  0.10000E+01 volume  0.24868E-02 ppm1    115.288 ppm2      1.852 CV     1
 ASSI { 4369}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      4.400     2.400     1.600 peak  4369 spectrum    1 weight  0.10000E+01 volume  0.35907E-03 ppm1    115.286 ppm2      7.468 CV     1
 ASSI { 4371}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      3.700     1.700     1.700 peak  4371 spectrum    1 weight  0.10000E+01 volume  0.50627E-03 ppm1    115.984 ppm2      5.038 CV     1
 ASSI { 4372}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      4.000     2.000     2.000 peak  4372 spectrum    1 weight  0.10000E+01 volume  0.50404E-03 ppm1    115.984 ppm2      7.257 CV     1
 ASSI { 4373}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      2.600     0.900     0.900 peak  4373 spectrum    1 weight  0.10000E+01 volume  0.37669E-02 ppm1    115.984 ppm2      4.662 CV     1
 ASSI { 4374}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 15   and name HN  ))
      3.200     1.300     1.300 peak  4374 spectrum    1 weight  0.10000E+01 volume  0.26741E-02 ppm1    115.986 ppm2      1.932 CV     1
 ASSI { 4375}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      3.300     1.400     1.400 peak  4375 spectrum    1 weight  0.10000E+01 volume  0.83861E-03 ppm1    115.986 ppm2      2.292 CV     1
 ASSI { 4376}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      2.700     0.900     0.900 peak  4376 spectrum    1 weight  0.10000E+01 volume  0.37692E-02 ppm1    115.983 ppm2      4.726 CV     1
 ASSI { 4377}
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 15   and name HN  ))
      3.100     1.200     1.200 peak  4377 spectrum    1 weight  0.10000E+01 volume  0.18556E-02 ppm1    115.981 ppm2      2.585 CV     1
 ASSI { 4378}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      2.900     1.100     1.100 peak  4378 spectrum    1 weight  0.10000E+01 volume  0.19403E-02 ppm1    115.983 ppm2      2.751 CV     1
 ASSI { 4379}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      5.200     3.400     0.800 peak  4379 spectrum    1 weight  0.10000E+01 volume  0.21633E-03 ppm1    115.985 ppm2      4.183 CV     1
 ASSI { 4380}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      2.600     0.900     0.900 peak  4380 spectrum    1 weight  0.10000E+01 volume  0.28280E-02 ppm1    115.987 ppm2      7.463 CV     1
 ASSI { 4386}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      3.200     1.300     1.300 peak  4386 spectrum    1 weight  0.10000E+01 volume  0.14564E-02 ppm1    121.462 ppm2      4.725 CV     1
 ASSI { 4388}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      3.000     1.100     1.100 peak  4388 spectrum    1 weight  0.10000E+01 volume  0.26629E-02 ppm1    121.460 ppm2      2.751 CV     1
 ASSI { 4391}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HN  ))
      2.800     1.000     1.000 peak  4391 spectrum    1 weight  0.10000E+01 volume  0.20028E-02 ppm1    121.461 ppm2      2.399 CV     1
 ASSI { 4392}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      2.800     0.900     0.900 peak  4392 spectrum    1 weight  0.10000E+01 volume  0.25648E-02 ppm1    121.459 ppm2      2.763 CV     1
 ASSI { 4395}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      2.800     1.000     1.000 peak  4395 spectrum    1 weight  0.10000E+01 volume  0.21879E-02 ppm1    124.135 ppm2      4.700 CV     1
 ASSI { 4397}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      3.500     1.500     1.500 peak  4397 spectrum    1 weight  0.10000E+01 volume  0.10259E-02 ppm1    124.139 ppm2      2.626 CV     1
 ASSI { 4398}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HD21))
      3.700     1.700     1.700 peak  4398 spectrum    1 weight  0.10000E+01 volume  0.74490E-03 ppm1    110.671 ppm2      2.502 CV     1
 ASSI { 4399}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HD22))
      3.800     1.800     1.800 peak  4399 spectrum    1 weight  0.10000E+01 volume  0.11798E-02 ppm1    110.684 ppm2      2.502 CV     1
 ASSI { 5000}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HN  ))
      2.900     1.000     1.000 peak  5000 spectrum    1 weight  0.10000E+01 volume  0.10839E-02 ppm1    129.312 ppm2      1.086 CV     1
 ASSI { 5001}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      3.200     1.300     1.300 peak  5001 spectrum    1 weight  0.10000E+01 volume  0.89883E-03 ppm1    129.307 ppm2      8.626 CV     1
 ASSI { 5002}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      3.000     1.100     1.100 peak  5002 spectrum    1 weight  0.10000E+01 volume  0.13493E-02 ppm1    129.312 ppm2      4.402 CV     1
 ASSI { 5003}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      2.400     0.700     0.700 peak  5003 spectrum    1 weight  0.10000E+01 volume  0.34591E-02 ppm1    129.312 ppm2      4.532 CV     1
 ASSI { 5004}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 74   and name HN  ))
      3.600     1.600     1.600 peak  5004 spectrum    1 weight  0.10000E+01 volume  0.84752E-03 ppm1    129.312 ppm2      1.787 CV     1
 ASSI { 5005}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      3.400     1.500     1.500 peak  5005 spectrum    1 weight  0.10000E+01 volume  0.47951E-03 ppm1    129.312 ppm2      4.939 CV     1
 ASSI { 5006}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HN  ))
      3.000     1.200     1.200 peak  5006 spectrum    1 weight  0.10000E+01 volume  0.16905E-02 ppm1    129.312 ppm2      1.621 CV     1
 ASSI { 5007}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 74   and name HN  ))
      4.200     2.200     1.800 peak  5007 spectrum    1 weight  0.10000E+01 volume  0.49512E-03 ppm1    129.312 ppm2      1.229 CV     1
 ASSI { 5008}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      4.500     2.500     1.500 peak  5008 spectrum    1 weight  0.10000E+01 volume  0.21410E-03 ppm1    129.312 ppm2      8.861 CV     1
 ASSI { 5009}
   (( segid "    " and resid 5    and name HD1 ))
   (( segid "    " and resid 75   and name HN  ))
      4.800     2.900     1.200 peak  5009 spectrum    1 weight  0.10000E+01 volume  0.31893E-03 ppm1    127.901 ppm2      0.898 CV     1
 ASSI { 5011}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 75   and name HN  ))
      3.800     1.900     1.900 peak  5011 spectrum    1 weight  0.10000E+01 volume  0.65795E-03 ppm1    127.901 ppm2      1.758 CV     1
 ASSI { 5012}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      2.300     0.700     0.700 peak  5012 spectrum    1 weight  0.10000E+01 volume  0.31157E-02 ppm1    127.901 ppm2      4.939 CV     1
 ASSI { 5013}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 75   and name HN  ))
      4.100     2.100     1.900 peak  5013 spectrum    1 weight  0.10000E+01 volume  0.61333E-03 ppm1    127.901 ppm2      1.082 CV     1
 ASSI { 5014}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 75   and name HN  ))
      3.800     1.800     1.800 peak  5014 spectrum    1 weight  0.10000E+01 volume  0.11731E-02 ppm1    127.901 ppm2      1.619 CV     1
 ASSI { 5016}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      2.800     1.000     1.000 peak  5016 spectrum    1 weight  0.10000E+01 volume  0.12557E-02 ppm1    127.901 ppm2      5.076 CV     1
 ASSI { 5017}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 75   and name HN  ))
      2.900     1.100     1.100 peak  5017 spectrum    1 weight  0.10000E+01 volume  0.27968E-02 ppm1    127.901 ppm2      1.489 CV     1
 ASSI { 5018}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HN  ))
      3.400     1.500     1.500 peak  5018 spectrum    1 weight  0.10000E+01 volume  0.33298E-02 ppm1    127.901 ppm2      0.633 CV     1
 ASSI { 5019}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 75   and name HN  ))
      2.700     0.900     0.900 peak  5019 spectrum    1 weight  0.10000E+01 volume  0.41550E-02 ppm1    127.901 ppm2      0.690 CV     1
 ASSI { 5020}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 76   and name HN  ))
      3.400     1.500     1.500 peak  5020 spectrum    1 weight  0.10000E+01 volume  0.26607E-02 ppm1    116.125 ppm2      0.676 CV     1
 ASSI { 5022}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 76   and name HN  ))
      4.000     2.000     2.000 peak  5022 spectrum    1 weight  0.10000E+01 volume  0.87652E-03 ppm1    116.125 ppm2      1.609 CV     1
 ASSI { 5023}
   (( segid "    " and resid 3    and name HB1 ))
   (( segid "    " and resid 76   and name HN  ))
      3.700     1.700     1.700 peak  5023 spectrum    1 weight  0.10000E+01 volume  0.68916E-03 ppm1    116.125 ppm2      1.769 CV     1
 ASSI { 5024}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 76   and name HN  ))
      3.600     1.600     1.600 peak  5024 spectrum    1 weight  0.10000E+01 volume  0.67134E-03 ppm1    116.125 ppm2      2.486 CV     1
 OR { 5024}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 76   and name HN  ))
 ASSI { 5026}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      2.400     0.700     0.700 peak  5026 spectrum    1 weight  0.10000E+01 volume  0.36398E-02 ppm1    116.125 ppm2      5.058 CV     1
 ASSI { 5028}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      3.200     1.300     1.300 peak  5028 spectrum    1 weight  0.10000E+01 volume  0.72259E-03 ppm1    116.125 ppm2      5.343 CV     1
 ASSI { 5030}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 76   and name HN  ))
      3.400     1.500     1.500 peak  5030 spectrum    1 weight  0.10000E+01 volume  0.12044E-02 ppm1    116.125 ppm2      0.937 CV     1
 ASSI { 5031}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      3.500     1.500     1.500 peak  5031 spectrum    1 weight  0.10000E+01 volume  0.60217E-03 ppm1    116.125 ppm2      4.545 CV     1
 ASSI { 5033}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 77   and name HN  ))
      3.600     3.600     2.400 peak  5033 spectrum    1 weight  0.10000E+01 volume  0.10326E-02 ppm1    119.761 ppm2      0.648 CV     1
 ASSI { 5034}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 77   and name HN  ))
      3.700     1.700     1.700 peak  5034 spectrum    1 weight  0.10000E+01 volume  0.64904E-03 ppm1    119.761 ppm2      1.449 CV     1
 OR { 5034}
   (( segid "    " and resid 2    and name HB1 ))
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 5038}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      3.000     1.100     1.100 peak  5038 spectrum    1 weight  0.10000E+01 volume  0.13939E-02 ppm1    119.761 ppm2      8.722 CV     1
 ASSI { 5039}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      3.700     1.700     1.700 peak  5039 spectrum    1 weight  0.10000E+01 volume  0.69137E-03 ppm1    119.761 ppm2      5.600 CV     1
 ASSI { 5040}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      2.400     0.700     0.700 peak  5040 spectrum    1 weight  0.10000E+01 volume  0.37335E-02 ppm1    119.760 ppm2      5.336 CV     1
 ASSI { 5041}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 77   and name HN  ))
      3.300     1.300     1.300 peak  5041 spectrum    1 weight  0.10000E+01 volume  0.17419E-02 ppm1    119.761 ppm2      3.980 CV     1
 ASSI { 5042}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      3.400     1.500     1.500 peak  5042 spectrum    1 weight  0.10000E+01 volume  0.13939E-02 ppm1    119.761 ppm2      8.713 CV     1
 ASSI { 5043}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      3.200     1.200     1.200 peak  5043 spectrum    1 weight  0.10000E+01 volume  0.94117E-03 ppm1    119.761 ppm2      4.543 CV     1
 ASSI { 5044}
   (( segid "    " and resid 77   and name HB  ))
   (( segid "    " and resid 77   and name HN  ))
      3.300     1.400     1.400 peak  5044 spectrum    1 weight  0.10000E+01 volume  0.74717E-03 ppm1    119.761 ppm2      2.330 CV     1
 ASSI { 5045}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 77   and name HN  ))
      2.600     0.800     0.800 peak  5045 spectrum    1 weight  0.10000E+01 volume  0.32428E-02 ppm1    119.761 ppm2      0.817 CV     1
 ASSI { 5046}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 77   and name HN  ))
      3.400     1.400     1.400 peak  5046 spectrum    1 weight  0.10000E+01 volume  0.27923E-02 ppm1    119.761 ppm2      0.903 CV     1
 ASSI { 5050}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      2.400     0.700     0.700 peak  5050 spectrum    1 weight  0.10000E+01 volume  0.41862E-02 ppm1    126.266 ppm2      4.540 CV     1
 ASSI { 5052}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      3.100     1.200     1.200 peak  5052 spectrum    1 weight  0.10000E+01 volume  0.10973E-02 ppm1    126.271 ppm2      5.072 CV     1
 ASSI { 5053}
   (( segid "    " and resid 78   and name HB1 ))
   (( segid "    " and resid 78   and name HN  ))
      3.300     1.400     1.400 peak  5053 spectrum    1 weight  0.10000E+01 volume  0.22459E-02 ppm1    126.289 ppm2      1.817 CV     1
 ASSI { 5054}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 78   and name HN  ))
      2.700     0.900     0.900 peak  5054 spectrum    1 weight  0.10000E+01 volume  0.23195E-02 ppm1    126.289 ppm2      1.895 CV     1
 ASSI { 5057}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 79   and name HN  ))
      3.500     1.600     1.600 peak  5057 spectrum    1 weight  0.10000E+01 volume  0.66464E-03 ppm1    122.544 ppm2      0.863 CV     1
 OR { 5057}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 79   and name HN  ))
 ASSI { 5058}
   (  segid "    " and resid 84   and name HB% )
   (( segid "    " and resid 79   and name HN  ))
      5.700     4.100     0.300 peak  5058 spectrum    1 weight  0.10000E+01 volume  0.15612E-04 ppm1    122.544 ppm2      1.273 CV     1
 ASSI { 5059}
   (( segid "    " and resid 2    and name HG  ))
   (( segid "    " and resid 79   and name HN  ))
      3.300     3.300     2.700 peak  5059 spectrum    1 weight  0.10000E+01 volume  0.10973E-02 ppm1    122.544 ppm2      1.414 CV     1
 ASSI { 4400}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HD21))
      3.200     1.200     1.200 peak  4400 spectrum    1 weight  0.10000E+01 volume  0.71147E-03 ppm1    110.671 ppm2      2.626 CV     1
 ASSI { 4402}
   (( segid "    " and resid 20   and name HA1 ))
   (( segid "    " and resid 17   and name HD21))
      3.700     1.700     1.700 peak  4402 spectrum    1 weight  0.10000E+01 volume  0.35015E-03 ppm1    110.671 ppm2      3.534 CV     1
 ASSI { 4403}
   (( segid "    " and resid 20   and name HA1 ))
   (( segid "    " and resid 17   and name HD22))
      4.400     2.500     1.600 peak  4403 spectrum    1 weight  0.10000E+01 volume  0.23864E-03 ppm1    110.684 ppm2      3.534 CV     1
 ASSI { 5060}
   (( segid "    " and resid 1    and name HB2 ))
   (( segid "    " and resid 79   and name HN  ))
      3.400     1.500     1.500 peak  5060 spectrum    1 weight  0.10000E+01 volume  0.22013E-02 ppm1    122.544 ppm2      1.960 CV     1
 ASSI { 4404}
   (( segid "    " and resid 20   and name HA2 ))
   (( segid "    " and resid 17   and name HD21))
      5.000     3.100     1.000 peak  4404 spectrum    1 weight  0.10000E+01 volume  0.26317E-03 ppm1    110.671 ppm2      3.735 CV     1
 ASSI { 5061}
   (( segid "    " and resid 78   and name HG1 ))
   (( segid "    " and resid 79   and name HN  ))
      2.600     2.600     3.400 peak  5061 spectrum    1 weight  0.10000E+01 volume  0.18912E-02 ppm1    122.544 ppm2      2.053 CV     1
 OR { 5061}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 79   and name HN  ))
 ASSI { 4405}
   (( segid "    " and resid 21   and name HH12))
   (( segid "    " and resid 17   and name HD22))
      2.200     2.200     3.800 peak  4405 spectrum    1 weight  0.10000E+01 volume  0.46590E-02 ppm1    110.684 ppm2      6.891 CV     1
 OR { 4405}
   (( segid "    " and resid 21   and name HH11))
   (( segid "    " and resid 17   and name HD22))
 ASSI { 4406}
   (( segid "    " and resid 21   and name HH22))
   (( segid "    " and resid 21   and name HH11))
      2.600     0.800     0.800 peak  4406 spectrum    1 weight  0.10000E+01 volume  0.45408E-02 ppm1    110.671 ppm2      7.571 CV     1
 OR { 4406}
   (( segid "    " and resid 21   and name HH21))
   (( segid "    " and resid 21   and name HH12))
 OR { 4406}
   (( segid "    " and resid 21   and name HH22))
   (( segid "    " and resid 21   and name HH12))
 ASSI { 5063}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 96   and name HN  ))
      4.600     2.700     1.400 peak  5063 spectrum    1 weight  0.10000E+01 volume  0.24979E-03 ppm1    122.669 ppm2      8.763 CV     1
 ASSI { 5065}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      2.300     0.700     0.700 peak  5065 spectrum    1 weight  0.10000E+01 volume  0.52679E-02 ppm1    122.544 ppm2      5.071 CV     1
 ASSI { 5066}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 79   and name HN  ))
      3.400     1.400     1.400 peak  5066 spectrum    1 weight  0.10000E+01 volume  0.24890E-02 ppm1    122.544 ppm2      1.848 CV     1
 OR { 5066}
   (( segid "    " and resid 78   and name HB1 ))
   (( segid "    " and resid 79   and name HN  ))
 ASSI { 5067}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      3.500     1.500     1.500 peak  5067 spectrum    1 weight  0.10000E+01 volume  0.11173E-02 ppm1    122.666 ppm2      8.051 CV     1
 ASSI { 5069}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HN  ))
      3.100     1.200     1.200 peak  5069 spectrum    1 weight  0.10000E+01 volume  0.16861E-02 ppm1    122.544 ppm2      2.455 CV     1
 ASSI { 4410}
   (  segid "    " and resid 16   and name HD% )
   (( segid "    " and resid 18   and name HN  ))
      4.000     2.000     2.000 peak  4410 spectrum    1 weight  0.10000E+01 volume  0.27656E-03 ppm1    124.147 ppm2      5.853 CV     1
 ASSI { 4412}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      2.200     0.600     0.600 peak  4412 spectrum    1 weight  0.10000E+01 volume  0.77080E-02 ppm1    124.146 ppm2      4.700 CV     1
 ASSI { 4413}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 18   and name HN  ))
      4.600     2.600     1.400 peak  4413 spectrum    1 weight  0.10000E+01 volume  0.60663E-03 ppm1    124.148 ppm2      2.501 CV     1
 ASSI { 5070}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HN  ))
      3.000     1.100     1.100 peak  5070 spectrum    1 weight  0.10000E+01 volume  0.20229E-02 ppm1    122.544 ppm2      2.588 CV     1
 ASSI { 4414}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      4.200     2.200     1.800 peak  4414 spectrum    1 weight  0.10000E+01 volume  0.55534E-03 ppm1    124.148 ppm2      2.625 CV     1
 ASSI { 5071}
   (( segid "    " and resid 86   and name HB1 ))
   (( segid "    " and resid 83   and name HN  ))
      4.200     2.200     1.800 peak  5071 spectrum    1 weight  0.10000E+01 volume  0.53750E-03 ppm1    116.301 ppm2      1.555 CV     1
 ASSI { 4415}
   (  segid "    " and resid 18   and name HE% )
   (( segid "    " and resid 18   and name HN  ))
      3.400     1.500     1.500 peak  4415 spectrum    1 weight  0.10000E+01 volume  0.14809E-02 ppm1    124.152 ppm2      7.383 CV     1
 ASSI { 4416}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      3.000     1.100     1.100 peak  4416 spectrum    1 weight  0.10000E+01 volume  0.12178E-02 ppm1    124.110 ppm2      4.043 CV     1
 ASSI { 5073}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      2.800     2.800     3.200 peak  5073 spectrum    1 weight  0.10000E+01 volume  0.40167E-02 ppm1    116.308 ppm2      7.959 CV     1
 ASSI { 4417}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 18   and name HN  ))
      3.400     1.400     1.400 peak  4417 spectrum    1 weight  0.10000E+01 volume  0.26005E-02 ppm1    124.148 ppm2      2.816 CV     1
 ASSI { 5075}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 83   and name HN  ))
      2.900     1.100     1.100 peak  5075 spectrum    1 weight  0.10000E+01 volume  0.20385E-02 ppm1    116.301 ppm2      1.864 CV     1
 OR { 5075}
   (( segid "    " and resid 83   and name HB1 ))
   (( segid "    " and resid 83   and name HN  ))
 ASSI { 4419}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 19   and name HN  ))
      4.000     2.000     2.000 peak  4419 spectrum    1 weight  0.10000E+01 volume  0.69358E-03 ppm1    118.244 ppm2      0.596 CV     1
 ASSI { 5076}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      3.100     1.200     1.200 peak  5076 spectrum    1 weight  0.10000E+01 volume  0.13760E-02 ppm1    116.301 ppm2      3.792 CV     1
 ASSI { 4421}
   (( segid "    " and resid 20   and name HA1 ))
   (( segid "    " and resid 19   and name HN  ))
      3.700     1.700     1.700 peak  4421 spectrum    1 weight  0.10000E+01 volume  0.21009E-02 ppm1    118.244 ppm2      3.585 CV     1
 ASSI { 4422}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      2.600     2.600     3.400 peak  4422 spectrum    1 weight  0.10000E+01 volume  0.40970E-02 ppm1    118.244 ppm2      4.048 CV     1
 ASSI { 4424}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      1.900     1.900     4.100 peak  4424 spectrum    1 weight  0.10000E+01 volume  0.20140E-01 ppm1    118.244 ppm2      8.185 CV     1
 ASSI { 5081}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      3.600     1.600     1.600 peak  5081 spectrum    1 weight  0.10000E+01 volume  0.58433E-03 ppm1    121.381 ppm2      3.695 CV     1
 ASSI { 4425}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      3.100     1.200     1.200 peak  4425 spectrum    1 weight  0.10000E+01 volume  0.11307E-02 ppm1    118.244 ppm2      3.309 CV     1
 ASSI { 5082}
   (  segid "    " and resid 84   and name HB% )
   (( segid "    " and resid 84   and name HN  ))
      3.000     1.100     1.100 peak  5082 spectrum    1 weight  0.10000E+01 volume  0.16950E-02 ppm1    121.381 ppm2      1.266 CV     1
 ASSI { 4426}
   (( segid "    " and resid 19   and name HB  ))
   (( segid "    " and resid 19   and name HN  ))
      2.600     0.800     0.800 peak  4426 spectrum    1 weight  0.10000E+01 volume  0.38740E-02 ppm1    118.244 ppm2      1.964 CV     1
 ASSI { 5083}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 85   and name HN  ))
      4.200     2.200     1.800 peak  5083 spectrum    1 weight  0.10000E+01 volume  0.43490E-03 ppm1    115.527 ppm2      0.742 CV     1
 ASSI { 4427}
   (  segid "    " and resid 19   and name HG1%)
   (( segid "    " and resid 19   and name HN  ))
      2.900     1.000     1.000 peak  4427 spectrum    1 weight  0.10000E+01 volume  0.34056E-02 ppm1    118.244 ppm2      0.881 CV     1
 ASSI { 5084}
   (( segid "    " and resid 85   and name HB1 ))
   (( segid "    " and resid 85   and name HN  ))
      2.800     0.900     0.900 peak  5084 spectrum    1 weight  0.10000E+01 volume  0.18288E-02 ppm1    115.527 ppm2      1.886 CV     1
 ASSI { 4428}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 19   and name HN  ))
      4.300     4.300     1.700 peak  4428 spectrum    1 weight  0.10000E+01 volume  0.16281E-03 ppm1    118.244 ppm2      1.004 CV     1
 ASSI { 5085}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 85   and name HN  ))
      3.300     3.300     2.700 peak  5085 spectrum    1 weight  0.10000E+01 volume  0.18065E-02 ppm1    115.527 ppm2      2.003 CV     1
 ASSI { 4429}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      2.900     1.000     1.000 peak  4429 spectrum    1 weight  0.10000E+01 volume  0.15121E-02 ppm1    118.370 ppm2      7.577 CV     1
 ASSI { 5087}
   (( segid "    " and resid 77   and name HB  ))
   (( segid "    " and resid 85   and name HN  ))
      3.600     3.600     2.400 peak  5087 spectrum    1 weight  0.10000E+01 volume  0.12133E-02 ppm1    115.527 ppm2      2.332 CV     1
 ASSI { 5088}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 85   and name HN  ))
      3.500     1.500     1.500 peak  5088 spectrum    1 weight  0.10000E+01 volume  0.74047E-03 ppm1    115.527 ppm2      4.384 CV     1
 ASSI { 5089}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 85   and name HN  ))
      3.600     1.600     1.600 peak  5089 spectrum    1 weight  0.10000E+01 volume  0.78951E-03 ppm1    115.526 ppm2      3.698 CV     1
 ASSI { 4432}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      3.700     1.700     1.700 peak  4432 spectrum    1 weight  0.10000E+01 volume  0.49735E-03 ppm1    103.122 ppm2      3.292 CV     1
 ASSI { 5090}
   (  segid "    " and resid 84   and name HB% )
   (( segid "    " and resid 85   and name HN  ))
      3.200     1.300     1.300 peak  5090 spectrum    1 weight  0.10000E+01 volume  0.95899E-03 ppm1    115.527 ppm2      1.266 CV     1
 ASSI { 4434}
   (  segid "    " and resid 19   and name HG1%)
   (( segid "    " and resid 20   and name HN  ))
      3.300     1.400     1.400 peak  4434 spectrum    1 weight  0.10000E+01 volume  0.11843E-02 ppm1    103.120 ppm2      0.881 CV     1
 ASSI { 5091}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HN  ))
      3.100     1.200     1.200 peak  5091 spectrum    1 weight  0.10000E+01 volume  0.98799E-03 ppm1    115.527 ppm2      3.661 CV     1
 ASSI { 4435}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 20   and name HN  ))
      3.500     3.500     2.500 peak  4435 spectrum    1 weight  0.10000E+01 volume  0.80960E-03 ppm1    103.120 ppm2      1.004 CV     1
 ASSI { 4437}
   (( segid "    " and resid 20   and name HA1 ))
   (( segid "    " and resid 20   and name HN  ))
      2.600     0.800     0.800 peak  4437 spectrum    1 weight  0.10000E+01 volume  0.26785E-02 ppm1    103.120 ppm2      3.538 CV     1
 ASSI { 4438}
   (( segid "    " and resid 20   and name HA2 ))
   (( segid "    " and resid 20   and name HN  ))
      3.000     1.200     1.200 peak  4438 spectrum    1 weight  0.10000E+01 volume  0.23306E-02 ppm1    103.120 ppm2      3.735 CV     1
 ASSI { 5095}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 86   and name HN  ))
      3.500     1.600     1.600 peak  5095 spectrum    1 weight  0.10000E+01 volume  0.54864E-03 ppm1    119.290 ppm2      3.661 CV     1
 ASSI { 5096}
   (( segid "    " and resid 85   and name HB1 ))
   (( segid "    " and resid 86   and name HN  ))
      3.000     1.100     1.100 peak  5096 spectrum    1 weight  0.10000E+01 volume  0.26295E-02 ppm1    119.290 ppm2      1.889 CV     1
 ASSI { 5097}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 86   and name HN  ))
      3.300     1.300     1.300 peak  5097 spectrum    1 weight  0.10000E+01 volume  0.14809E-02 ppm1    119.290 ppm2      1.975 CV     1
 ASSI { 5098}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 86   and name HN  ))
      2.900     1.100     1.100 peak  5098 spectrum    1 weight  0.10000E+01 volume  0.13582E-02 ppm1    119.290 ppm2      8.602 CV     1
 ASSI { 5099}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HN  ))
      2.900     1.100     1.100 peak  5099 spectrum    1 weight  0.10000E+01 volume  0.16192E-02 ppm1    119.290 ppm2      4.009 CV     1
 ASSI { 4440}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      2.900     1.100     1.100 peak  4440 spectrum    1 weight  0.10000E+01 volume  0.12713E-02 ppm1    103.122 ppm2      7.024 CV     1
 ASSI { 4442}
   (( segid "    " and resid 20   and name HA1 ))
   (( segid "    " and resid 21   and name HN  ))
      3.400     1.400     1.400 peak  4442 spectrum    1 weight  0.10000E+01 volume  0.75829E-03 ppm1    120.959 ppm2      3.537 CV     1
 ASSI { 4443}
   (( segid "    " and resid 20   and name HA2 ))
   (( segid "    " and resid 21   and name HN  ))
      3.700     1.700     1.700 peak  4443 spectrum    1 weight  0.10000E+01 volume  0.54419E-03 ppm1    120.962 ppm2      3.734 CV     1
 ASSI { 4446}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 21   and name HN  ))
      2.400     0.700     0.700 peak  4446 spectrum    1 weight  0.10000E+01 volume  0.28726E-02 ppm1    120.962 ppm2      1.868 CV     1
 ASSI { 4447}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      3.300     1.400     1.400 peak  4447 spectrum    1 weight  0.10000E+01 volume  0.21210E-02 ppm1    120.959 ppm2      2.031 CV     1
 ASSI { 4448}
   (( segid "    " and resid 21   and name HD1 ))
   (( segid "    " and resid 21   and name HN  ))
      4.500     2.500     1.500 peak  4448 spectrum    1 weight  0.10000E+01 volume  0.49289E-03 ppm1    120.959 ppm2      3.263 CV     1
 ASSI { 4449}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 21   and name HN  ))
      4.700     2.700     1.300 peak  4449 spectrum    1 weight  0.10000E+01 volume  0.40591E-03 ppm1    120.959 ppm2      3.341 CV     1
 ASSI { 4450}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 21   and name HN  ))
      3.200     1.300     1.300 peak  4450 spectrum    1 weight  0.10000E+01 volume  0.26964E-02 ppm1    120.962 ppm2      1.755 CV     1
 ASSI { 4451}
   (( segid "    " and resid 22   and name HB  ))
   (( segid "    " and resid 21   and name HN  ))
      5.100     3.300     0.900 peak  4451 spectrum    1 weight  0.10000E+01 volume  0.27879E-03 ppm1    120.959 ppm2      1.554 CV     1
 ASSI { 4452}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 21   and name HN  ))
      5.300     3.500     0.700 peak  4452 spectrum    1 weight  0.10000E+01 volume  0.28993E-03 ppm1    120.959 ppm2      0.596 CV     1
 ASSI { 4453}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      2.800     1.000     1.000 peak  4453 spectrum    1 weight  0.10000E+01 volume  0.13694E-02 ppm1    120.962 ppm2      7.997 CV     1
 ASSI { 4454}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 21   and name HN  ))
      4.100     2.100     1.900 peak  4454 spectrum    1 weight  0.10000E+01 volume  0.45721E-03 ppm1    120.959 ppm2      0.843 CV     1
 ASSI { 4455}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      5.000     3.100     1.000 peak  4455 spectrum    1 weight  0.10000E+01 volume  0.15389E-03 ppm1    120.959 ppm2      7.763 CV     1
 ASSI { 4457}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.700     0.900     0.900 peak  4457 spectrum    1 weight  0.10000E+01 volume  0.31558E-02 ppm1    104.594 ppm2      4.076 CV     1
 ASSI { 4458}
   (( segid "    " and resid 24   and name HA2 ))
   (( segid "    " and resid 24   and name HN  ))
      3.000     1.100     1.100 peak  4458 spectrum    1 weight  0.10000E+01 volume  0.16883E-02 ppm1    104.594 ppm2      4.408 CV     1
 ASSI { 4459}
   (( segid "    " and resid 20   and name HA1 ))
   (( segid "    " and resid 24   and name HN  ))
      4.000     2.000     2.000 peak  4459 spectrum    1 weight  0.10000E+01 volume  0.11173E-02 ppm1    104.594 ppm2      3.533 CV     1
 ASSI { 4461}
   (( segid "    " and resid 24   and name HA1 ))
   (( segid "    " and resid 24   and name HN  ))
      2.300     0.700     0.700 peak  4461 spectrum    1 weight  0.10000E+01 volume  0.41015E-02 ppm1    104.594 ppm2      3.968 CV     1
 ASSI { 4462}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 24   and name HN  ))
      5.100     3.300     0.900 peak  4462 spectrum    1 weight  0.10000E+01 volume  0.15612E-03 ppm1    104.594 ppm2      1.869 CV     1
 ASSI { 4463}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 24   and name HN  ))
      3.500     3.500     2.500 peak  4463 spectrum    1 weight  0.10000E+01 volume  0.12735E-02 ppm1    104.594 ppm2      1.755 CV     1
 ASSI { 4464}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      3.300     1.300     1.300 peak  4464 spectrum    1 weight  0.10000E+01 volume  0.12111E-02 ppm1    104.594 ppm2      7.979 CV     1
 ASSI { 4465}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 24   and name HN  ))
      3.200     1.300     1.300 peak  4465 spectrum    1 weight  0.10000E+01 volume  0.11620E-02 ppm1    104.594 ppm2      0.842 CV     1
 ASSI { 4466}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      2.700     0.900     0.900 peak  4466 spectrum    1 weight  0.10000E+01 volume  0.14318E-02 ppm1    104.594 ppm2      7.764 CV     1
 ASSI { 4469}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      3.200     1.300     1.300 peak  4469 spectrum    1 weight  0.10000E+01 volume  0.14742E-02 ppm1    117.546 ppm2      4.063 CV     1
 ASSI { 4470}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 22   and name HN  ))
      2.600     0.900     0.900 peak  4470 spectrum    1 weight  0.10000E+01 volume  0.29841E-02 ppm1    117.546 ppm2      1.867 CV     1
 ASSI { 4472}
   (( segid "    " and resid 21   and name HD1 ))
   (( segid "    " and resid 22   and name HN  ))
      4.100     2.100     1.900 peak  4472 spectrum    1 weight  0.10000E+01 volume  0.43490E-03 ppm1    117.543 ppm2      3.262 CV     1
 ASSI { 4473}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 22   and name HN  ))
      4.300     2.300     1.700 peak  4473 spectrum    1 weight  0.10000E+01 volume  0.41483E-03 ppm1    117.546 ppm2      3.340 CV     1
 ASSI { 4474}
   (( segid "    " and resid 21   and name HE  ))
   (( segid "    " and resid 22   and name HN  ))
      3.600     1.600     1.600 peak  4474 spectrum    1 weight  0.10000E+01 volume  0.47504E-03 ppm1    117.543 ppm2      7.428 CV     1
 ASSI { 4475}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 22   and name HN  ))
      4.300     2.300     1.700 peak  4475 spectrum    1 weight  0.10000E+01 volume  0.17619E-03 ppm1    117.543 ppm2      1.754 CV     1
 ASSI { 4477}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.900     1.100     1.100 peak  4477 spectrum    1 weight  0.10000E+01 volume  0.16392E-02 ppm1    117.543 ppm2      3.686 CV     1
 ASSI { 4478}
   (( segid "    " and resid 22   and name HB  ))
   (( segid "    " and resid 22   and name HN  ))
      2.500     0.800     0.800 peak  4478 spectrum    1 weight  0.10000E+01 volume  0.26629E-02 ppm1    117.540 ppm2      1.553 CV     1
 ASSI { 4479}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 22   and name HN  ))
      3.500     1.500     1.500 peak  4479 spectrum    1 weight  0.10000E+01 volume  0.19671E-02 ppm1    117.543 ppm2      0.599 CV     1
 ASSI { 4480}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 22   and name HN  ))
      3.400     1.500     1.500 peak  4480 spectrum    1 weight  0.10000E+01 volume  0.18088E-02 ppm1    117.543 ppm2      0.844 CV     1
 ASSI { 4481}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      2.900     1.000     1.000 peak  4481 spectrum    1 weight  0.10000E+01 volume  0.12780E-02 ppm1    117.546 ppm2      7.762 CV     1
 ASSI { 4484}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 23   and name HN  ))
      4.500     4.500     1.500 peak  4484 spectrum    1 weight  0.10000E+01 volume  0.11151E-03 ppm1    111.385 ppm2      0.798 CV     1
 OR { 4484}
   (  segid "    " and resid 23   and name HD1%)
   (( segid "    " and resid 23   and name HN  ))
 ASSI { 4487}
   (( segid "    " and resid 20   and name HA1 ))
   (( segid "    " and resid 23   and name HN  ))
      4.900     3.000     1.100 peak  4487 spectrum    1 weight  0.10000E+01 volume  0.37468E-03 ppm1    111.385 ppm2      3.549 CV     1
 ASSI { 4488}
   (( segid "    " and resid 20   and name HA2 ))
   (( segid "    " and resid 23   and name HN  ))
      4.000     2.000     2.000 peak  4488 spectrum    1 weight  0.10000E+01 volume  0.51965E-03 ppm1    111.387 ppm2      3.750 CV     1
 ASSI { 4490}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      3.500     1.600     1.600 peak  4490 spectrum    1 weight  0.10000E+01 volume  0.65125E-03 ppm1    111.385 ppm2      3.687 CV     1
 ASSI { 4491}
   (( segid "    " and resid 22   and name HB  ))
   (( segid "    " and resid 23   and name HN  ))
      3.000     1.100     1.100 peak  4491 spectrum    1 weight  0.10000E+01 volume  0.10861E-02 ppm1    111.387 ppm2      1.554 CV     1
 ASSI { 4492}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 23   and name HN  ))
      3.100     1.200     1.200 peak  4492 spectrum    1 weight  0.10000E+01 volume  0.10817E-02 ppm1    111.387 ppm2      0.597 CV     1
 ASSI { 4494}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      3.000     1.200     1.200 peak  4494 spectrum    1 weight  0.10000E+01 volume  0.10505E-02 ppm1    111.385 ppm2      4.112 CV     1
 ASSI { 4496}
   (( segid "    " and resid 27   and name HA2 ))
   (( segid "    " and resid 23   and name HN  ))
      3.900     1.900     1.900 peak  4496 spectrum    1 weight  0.10000E+01 volume  0.90546E-03 ppm1    111.389 ppm2      4.023 CV     1
 ASSI { 5100}
   (( segid "    " and resid 86   and name HB1 ))
   (( segid "    " and resid 86   and name HN  ))
      2.900     1.100     1.100 peak  5100 spectrum    1 weight  0.10000E+01 volume  0.27276E-02 ppm1    119.290 ppm2      1.566 CV     1
 ASSI { 5101}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 86   and name HN  ))
      2.300     0.600     0.600 peak  5101 spectrum    1 weight  0.10000E+01 volume  0.47839E-02 ppm1    119.290 ppm2      1.763 CV     1
 ASSI { 5102}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HN  ))
      2.700     0.900     0.900 peak  5102 spectrum    1 weight  0.10000E+01 volume  0.21009E-02 ppm1    119.290 ppm2      7.869 CV     1
 ASSI { 5103}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 86   and name HN  ))
      4.300     2.300     1.700 peak  5103 spectrum    1 weight  0.10000E+01 volume  0.29216E-03 ppm1    119.289 ppm2      8.148 CV     1
 ASSI { 5104}
   (( segid "    " and resid 89   and name HG1 ))
   (( segid "    " and resid 87   and name HN  ))
      2.300     2.300     3.700 peak  5104 spectrum    1 weight  0.10000E+01 volume  0.38294E-02 ppm1    120.707 ppm2      1.384 CV     1
 OR { 5104}
   (( segid "    " and resid 89   and name HG2 ))
   (( segid "    " and resid 87   and name HN  ))
 ASSI { 5106}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 87   and name HN  ))
      3.100     1.200     1.200 peak  5106 spectrum    1 weight  0.10000E+01 volume  0.15277E-02 ppm1    120.707 ppm2      3.681 CV     1
 ASSI { 5110}
   (( segid "    " and resid 86   and name HB1 ))
   (( segid "    " and resid 87   and name HN  ))
      2.200     0.600     0.600 peak  5110 spectrum    1 weight  0.10000E+01 volume  0.68221E-02 ppm1    120.707 ppm2      1.537 CV     1
 ASSI { 5111}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 87   and name HN  ))
      4.900     3.000     1.100 peak  5111 spectrum    1 weight  0.10000E+01 volume  0.20964E-03 ppm1    120.707 ppm2      1.768 CV     1
 ASSI { 5113}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 87   and name HN  ))
      2.300     0.700     0.700 peak  5113 spectrum    1 weight  0.10000E+01 volume  0.44873E-02 ppm1    120.707 ppm2      1.959 CV     1
 ASSI { 5114}
   (  segid "    " and resid 88   and name HD1%)
   (( segid "    " and resid 87   and name HN  ))
      3.500     1.500     1.500 peak  5114 spectrum    1 weight  0.10000E+01 volume  0.14921E-02 ppm1    120.707 ppm2      0.818 CV     1
 ASSI { 5115}
   (  segid "    " and resid 88   and name HD2%)
   (( segid "    " and resid 87   and name HN  ))
      3.500     1.500     1.500 peak  5115 spectrum    1 weight  0.10000E+01 volume  0.14876E-02 ppm1    120.709 ppm2      0.874 CV     1
 ASSI { 5120}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 88   and name HN  ))
      3.300     1.400     1.400 peak  5120 spectrum    1 weight  0.10000E+01 volume  0.74938E-03 ppm1    118.984 ppm2      3.661 CV     1
 ASSI { 5122}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 88   and name HN  ))
      2.400     0.700     0.700 peak  5122 spectrum    1 weight  0.10000E+01 volume  0.35774E-02 ppm1    118.984 ppm2      1.721 CV     1
 ASSI { 5126}
   (( segid "    " and resid 88   and name HB1 ))
   (( segid "    " and resid 88   and name HN  ))
      2.600     2.600     3.400 peak  5126 spectrum    1 weight  0.10000E+01 volume  0.23284E-02 ppm1    118.984 ppm2      1.321 CV     1
 ASSI { 5128}
   (  segid "    " and resid 88   and name HD2%)
   (( segid "    " and resid 88   and name HN  ))
      3.200     1.300     1.300 peak  5128 spectrum    1 weight  0.10000E+01 volume  0.12846E-02 ppm1    118.878 ppm2      0.874 CV     1
 ASSI { 5129}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HN  ))
      2.900     1.100     1.100 peak  5129 spectrum    1 weight  0.10000E+01 volume  0.12936E-02 ppm1    118.980 ppm2      7.646 CV     1
 ASSI { 5130}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 89   and name HN  ))
      3.600     1.600     1.600 peak  5130 spectrum    1 weight  0.10000E+01 volume  0.88543E-03 ppm1    116.491 ppm2      0.674 CV     1
 ASSI { 5138}
   (  segid "    " and resid 88   and name HD2%)
   (( segid "    " and resid 89   and name HN  ))
      3.500     1.500     1.500 peak  5138 spectrum    1 weight  0.10000E+01 volume  0.73599E-03 ppm1    116.491 ppm2      0.841 CV     1
 OR { 5138}
   (  segid "    " and resid 88   and name HD1%)
   (( segid "    " and resid 89   and name HN  ))
 ASSI { 5141}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 89   and name HN  ))
      2.400     0.700     0.700 peak  5141 spectrum    1 weight  0.10000E+01 volume  0.55177E-02 ppm1    116.491 ppm2      1.832 CV     1
 OR { 5141}
   (( segid "    " and resid 89   and name HB1 ))
   (( segid "    " and resid 89   and name HN  ))
 ASSI { 5142}
   (( segid "    " and resid 89   and name HD1 ))
   (( segid "    " and resid 89   and name HN  ))
      3.400     1.400     1.400 peak  5142 spectrum    1 weight  0.10000E+01 volume  0.16861E-02 ppm1    116.491 ppm2      1.547 CV     1
 OR { 5142}
   (( segid "    " and resid 89   and name HD2 ))
   (( segid "    " and resid 89   and name HN  ))
 ASSI { 5143}
   (  segid "    " and resid 92   and name HG1%)
   (( segid "    " and resid 90   and name HN  ))
      3.900     1.900     1.900 peak  5143 spectrum    1 weight  0.10000E+01 volume  0.45051E-03 ppm1    118.105 ppm2      0.857 CV     1
 ASSI { 5145}
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 90   and name HN  ))
      3.800     1.800     1.800 peak  5145 spectrum    1 weight  0.10000E+01 volume  0.18065E-03 ppm1    118.105 ppm2      2.135 CV     1
 ASSI { 5148}
   (( segid "    " and resid 89   and name HB1 ))
   (( segid "    " and resid 90   and name HN  ))
      2.600     0.900     0.900 peak  5148 spectrum    1 weight  0.10000E+01 volume  0.52902E-02 ppm1    118.105 ppm2      1.832 CV     1
 OR { 5148}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 90   and name HN  ))
 ASSI { 5151}
   (( segid "    " and resid 90   and name HB2 ))
   (( segid "    " and resid 90   and name HN  ))
      2.400     0.700     0.700 peak  5151 spectrum    1 weight  0.10000E+01 volume  0.63652E-02 ppm1    118.105 ppm2      1.887 CV     1
 OR { 5151}
   (( segid "    " and resid 90   and name HB1 ))
   (( segid "    " and resid 90   and name HN  ))
 ASSI { 5153}
   (( segid "    " and resid 90   and name HG2 ))
   (( segid "    " and resid 90   and name HN  ))
      2.700     0.900     0.900 peak  5153 spectrum    1 weight  0.10000E+01 volume  0.23195E-02 ppm1    118.105 ppm2      1.636 CV     1
 OR { 5153}
   (( segid "    " and resid 90   and name HG1 ))
   (( segid "    " and resid 90   and name HN  ))
 ASSI { 5154}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HN  ))
      2.800     1.000     1.000 peak  5154 spectrum    1 weight  0.10000E+01 volume  0.17909E-02 ppm1    118.105 ppm2      8.145 CV     1
 ASSI { 5156}
   (  segid "    " and resid 92   and name HG1%)
   (( segid "    " and resid 91   and name HN  ))
      3.800     1.800     1.800 peak  5156 spectrum    1 weight  0.10000E+01 volume  0.90104E-03 ppm1    120.989 ppm2      0.872 CV     1
 OR { 5156}
   (  segid "    " and resid 92   and name HG2%)
   (( segid "    " and resid 91   and name HN  ))
 ASSI { 5157}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 91   and name HN  ))
      4.000     2.000     2.000 peak  5157 spectrum    1 weight  0.10000E+01 volume  0.38138E-03 ppm1    120.989 ppm2      1.117 CV     1
 ASSI { 5158}
   (( segid "    " and resid 90   and name HG2 ))
   (( segid "    " and resid 91   and name HN  ))
      2.700     0.900     0.900 peak  5158 spectrum    1 weight  0.10000E+01 volume  0.22057E-02 ppm1    120.989 ppm2      1.623 CV     1
 OR { 5158}
   (( segid "    " and resid 90   and name HG1 ))
   (( segid "    " and resid 91   and name HN  ))
 ASSI { 5159}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      3.300     3.300     2.700 peak  5159 spectrum    1 weight  0.10000E+01 volume  0.24890E-02 ppm1    120.989 ppm2      2.127 CV     1
 ASSI { 4501}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
      4.200     2.200     1.800 peak  4501 spectrum    1 weight  0.10000E+01 volume  0.56872E-03 ppm1    105.620 ppm2      1.901 CV     1
 OR { 4501}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 27   and name HN  ))
 ASSI { 4502}
   (( segid "    " and resid 27   and name HA1 ))
   (( segid "    " and resid 27   and name HN  ))
      2.900     1.000     1.000 peak  4502 spectrum    1 weight  0.10000E+01 volume  0.16415E-02 ppm1    105.623 ppm2      3.669 CV     1
 ASSI { 4503}
   (( segid "    " and resid 27   and name HA2 ))
   (( segid "    " and resid 27   and name HN  ))
      3.000     1.200     1.200 peak  4503 spectrum    1 weight  0.10000E+01 volume  0.22615E-02 ppm1    105.620 ppm2      4.024 CV     1
 ASSI { 5160}
   (( segid "    " and resid 90   and name HD2 ))
   (( segid "    " and resid 91   and name HN  ))
      5.300     3.500     0.700 peak  5160 spectrum    1 weight  0.10000E+01 volume  0.16727E-03 ppm1    120.989 ppm2      3.191 CV     1
 ASSI { 4504}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      2.200     0.600     0.600 peak  4504 spectrum    1 weight  0.10000E+01 volume  0.10202E-01 ppm1    105.625 ppm2      7.962 CV     1
 ASSI { 5161}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 91   and name HN  ))
      2.800     0.900     0.900 peak  5161 spectrum    1 weight  0.10000E+01 volume  0.32339E-02 ppm1    120.989 ppm2      4.080 CV     1
 ASSI { 4505}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 50   and name HN  ))
      2.400     2.400     3.600 peak  4505 spectrum    1 weight  0.10000E+01 volume  0.29328E-02 ppm1    118.649 ppm2      1.504 CV     1
 ASSI { 5162}
   (( segid "    " and resid 90   and name HB1 ))
   (( segid "    " and resid 91   and name HN  ))
      2.900     1.100     1.100 peak  5162 spectrum    1 weight  0.10000E+01 volume  0.41171E-02 ppm1    120.989 ppm2      1.859 CV     1
 ASSI { 4508}
   (( segid "    " and resid 27   and name HA1 ))
   (( segid "    " and resid 28   and name HN  ))
      3.100     1.200     1.200 peak  4508 spectrum    1 weight  0.10000E+01 volume  0.11977E-02 ppm1    118.649 ppm2      3.669 CV     1
 ASSI { 5165}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 91   and name HN  ))
      2.900     1.000     1.000 peak  5165 spectrum    1 weight  0.10000E+01 volume  0.20652E-02 ppm1    120.989 ppm2      3.862 CV     1
 ASSI { 5166}
   (  segid "    " and resid 91   and name HB% )
   (( segid "    " and resid 91   and name HN  ))
      2.500     0.800     0.800 peak  5166 spectrum    1 weight  0.10000E+01 volume  0.45297E-02 ppm1    120.989 ppm2      1.461 CV     1
 ASSI { 5167}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HN  ))
      3.000     1.100     1.100 peak  5167 spectrum    1 weight  0.10000E+01 volume  0.13025E-02 ppm1    120.989 ppm2      8.737 CV     1
 ASSI { 5168}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 92   and name HN  ))
      3.600     1.600     1.600 peak  5168 spectrum    1 weight  0.10000E+01 volume  0.12267E-02 ppm1    117.582 ppm2      0.647 CV     1
 ASSI { 5169}
   (( segid "    " and resid 95   and name HB  ))
   (( segid "    " and resid 92   and name HN  ))
      3.100     3.100     2.900 peak  5169 spectrum    1 weight  0.10000E+01 volume  0.58879E-03 ppm1    117.582 ppm2      1.887 CV     1
 ASSI { 4512}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      2.400     0.700     0.700 peak  4512 spectrum    1 weight  0.10000E+01 volume  0.61756E-02 ppm1    118.649 ppm2      1.817 CV     1
 OR { 4512}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 28   and name HN  ))
 ASSI { 4513}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 28   and name HN  ))
      3.100     1.200     1.200 peak  4513 spectrum    1 weight  0.10000E+01 volume  0.19872E-02 ppm1    118.649 ppm2      0.832 CV     1
 OR { 4513}
   (  segid "    " and resid 28   and name HD2%)
   (( segid "    " and resid 28   and name HN  ))
 ASSI { 4517}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      2.700     0.900     0.900 peak  4517 spectrum    1 weight  0.10000E+01 volume  0.26741E-02 ppm1    118.366 ppm2      7.430 CV     1
 ASSI { 4518}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      2.600     0.900     0.900 peak  4518 spectrum    1 weight  0.10000E+01 volume  0.37669E-02 ppm1    118.366 ppm2      1.816 CV     1
 OR { 4518}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 29   and name HN  ))
 ASSI { 5175}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 92   and name HN  ))
      3.100     1.200     1.200 peak  5175 spectrum    1 weight  0.10000E+01 volume  0.10282E-02 ppm1    117.582 ppm2      3.225 CV     1
 ASSI { 4519}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      2.900     1.000     1.000 peak  4519 spectrum    1 weight  0.10000E+01 volume  0.17619E-02 ppm1    118.360 ppm2      7.970 CV     1
 ASSI { 5176}
   (( segid "    " and resid 92   and name HB  ))
   (( segid "    " and resid 92   and name HN  ))
      2.500     0.800     0.800 peak  5176 spectrum    1 weight  0.10000E+01 volume  0.28079E-02 ppm1    117.582 ppm2      2.101 CV     1
 ASSI { 5177}
   (  segid "    " and resid 92   and name HG1%)
   (( segid "    " and resid 92   and name HN  ))
      2.600     0.800     0.800 peak  5177 spectrum    1 weight  0.10000E+01 volume  0.39676E-02 ppm1    117.582 ppm2      0.854 CV     1
 ASSI { 5178}
   (  segid "    " and resid 92   and name HG2%)
   (( segid "    " and resid 92   and name HN  ))
      3.100     1.200     1.200 peak  5178 spectrum    1 weight  0.10000E+01 volume  0.39052E-02 ppm1    117.582 ppm2      0.896 CV     1
 ASSI { 5179}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 92   and name HN  ))
      3.800     1.800     1.800 peak  5179 spectrum    1 weight  0.10000E+01 volume  0.11508E-02 ppm1    117.582 ppm2      3.824 CV     1
 ASSI { 4520}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 29   and name HN  ))
      3.300     1.400     1.400 peak  4520 spectrum    1 weight  0.10000E+01 volume  0.85864E-03 ppm1    118.363 ppm2      1.170 CV     1
 ASSI { 4522}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      2.800     2.800     3.200 peak  4522 spectrum    1 weight  0.10000E+01 volume  0.11977E-02 ppm1    124.480 ppm2      1.842 CV     1
 ASSI { 5180}
   (( segid "    " and resid 93   and name HB1 ))
   (( segid "    " and resid 92   and name HN  ))
      3.800     3.800     2.200 peak  5180 spectrum    1 weight  0.10000E+01 volume  0.22794E-02 ppm1    117.582 ppm2      2.025 CV     1
 ASSI { 4524}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      2.600     0.900     0.900 peak  4524 spectrum    1 weight  0.10000E+01 volume  0.39297E-02 ppm1    124.418 ppm2      3.948 CV     1
 ASSI { 5181}
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 92   and name HN  ))
      3.300     1.400     1.400 peak  5181 spectrum    1 weight  0.10000E+01 volume  0.27499E-02 ppm1    117.582 ppm2      2.162 CV     1
 ASSI { 4525}
   (( segid "    " and resid 29   and name HB  ))
   (( segid "    " and resid 30   and name HN  ))
      3.500     1.500     1.500 peak  4525 spectrum    1 weight  0.10000E+01 volume  0.18021E-02 ppm1    124.477 ppm2      3.753 CV     1
 ASSI { 5183}
   (  segid "    " and resid 92   and name HG1%)
   (( segid "    " and resid 93   and name HN  ))
      2.800     1.000     1.000 peak  5183 spectrum    1 weight  0.10000E+01 volume  0.19984E-02 ppm1    117.236 ppm2      0.854 CV     1
 ASSI { 5184}
   (  segid "    " and resid 91   and name HB% )
   (( segid "    " and resid 93   and name HN  ))
      3.400     1.400     1.400 peak  5184 spectrum    1 weight  0.10000E+01 volume  0.21366E-02 ppm1    117.236 ppm2      1.448 CV     1
 ASSI { 4528}
   (  segid "    " and resid 30   and name HB% )
   (( segid "    " and resid 30   and name HN  ))
      2.600     0.900     0.900 peak  4528 spectrum    1 weight  0.10000E+01 volume  0.32071E-02 ppm1    124.480 ppm2      1.422 CV     1
 ASSI { 4529}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      2.900     1.000     1.000 peak  4529 spectrum    1 weight  0.10000E+01 volume  0.15545E-02 ppm1    124.483 ppm2      7.961 CV     1
 ASSI { 5186}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 93   and name HN  ))
      3.600     1.700     1.700 peak  5186 spectrum    1 weight  0.10000E+01 volume  0.17352E-02 ppm1    117.236 ppm2      4.054 CV     1
 ASSI { 5187}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 93   and name HN  ))
      3.200     1.300     1.300 peak  5187 spectrum    1 weight  0.10000E+01 volume  0.14006E-02 ppm1    117.236 ppm2      7.557 CV     1
 ASSI { 5188}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 93   and name HN  ))
      4.000     2.000     2.000 peak  5188 spectrum    1 weight  0.10000E+01 volume  0.37468E-03 ppm1    117.236 ppm2      8.591 CV     1
 ASSI { 5189}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 93   and name HN  ))
      3.700     1.700     1.700 peak  5189 spectrum    1 weight  0.10000E+01 volume  0.50181E-03 ppm1    117.236 ppm2      3.223 CV     1
 ASSI { 4531}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      3.900     1.900     1.900 peak  4531 spectrum    1 weight  0.10000E+01 volume  0.43044E-03 ppm1    124.480 ppm2      8.063 CV     1
 ASSI { 4532}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 30   and name HN  ))
      5.000     3.200     1.000 peak  4532 spectrum    1 weight  0.10000E+01 volume  0.33454E-04 ppm1    124.483 ppm2      0.777 CV     1
 ASSI { 4533}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      4.400     2.400     1.600 peak  4533 spectrum    1 weight  0.10000E+01 volume  0.23195E-03 ppm1    116.369 ppm2      8.284 CV     1
 ASSI { 5190}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 93   and name HN  ))
      2.900     1.000     1.000 peak  5190 spectrum    1 weight  0.10000E+01 volume  0.14497E-02 ppm1    117.236 ppm2      8.737 CV     1
 ASSI { 5191}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 93   and name HN  ))
      2.300     0.700     0.700 peak  5191 spectrum    1 weight  0.10000E+01 volume  0.63785E-02 ppm1    117.236 ppm2      3.822 CV     1
 ASSI { 5192}
   (( segid "    " and resid 93   and name HB1 ))
   (( segid "    " and resid 93   and name HN  ))
      2.600     0.800     0.800 peak  5192 spectrum    1 weight  0.10000E+01 volume  0.11249E-01 ppm1    117.236 ppm2      2.026 CV     1
 ASSI { 5193}
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 93   and name HN  ))
      2.100     0.500     0.500 peak  5193 spectrum    1 weight  0.10000E+01 volume  0.84575E-02 ppm1    117.236 ppm2      2.161 CV     1
 ASSI { 4537}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      2.600     0.800     0.800 peak  4537 spectrum    1 weight  0.10000E+01 volume  0.36532E-02 ppm1    116.371 ppm2      4.078 CV     1
 ASSI { 5194}
   (( segid "    " and resid 93   and name HG2 ))
   (( segid "    " and resid 93   and name HN  ))
      3.100     1.200     1.200 peak  5194 spectrum    1 weight  0.10000E+01 volume  0.20764E-02 ppm1    117.236 ppm2      2.355 CV     1
 OR { 5194}
   (( segid "    " and resid 93   and name HG1 ))
   (( segid "    " and resid 93   and name HN  ))
 ASSI { 4538}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HN  ))
      2.500     0.800     0.800 peak  4538 spectrum    1 weight  0.10000E+01 volume  0.61734E-02 ppm1    116.371 ppm2      1.854 CV     1
 ASSI { 5195}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HN  ))
      2.300     0.700     0.700 peak  5195 spectrum    1 weight  0.10000E+01 volume  0.54642E-02 ppm1    117.204 ppm2      7.920 CV     1
 ASSI { 4539}
   (( segid "    " and resid 31   and name HD1 ))
   (( segid "    " and resid 31   and name HN  ))
      3.500     1.500     1.500 peak  4539 spectrum    1 weight  0.10000E+01 volume  0.18288E-02 ppm1    116.371 ppm2      1.566 CV     1
 OR { 4539}
   (( segid "    " and resid 31   and name HD2 ))
   (( segid "    " and resid 31   and name HN  ))
 ASSI { 5197}
   (  segid "    " and resid 92   and name HG1%)
   (( segid "    " and resid 94   and name HN  ))
      3.800     1.800     1.800 peak  5197 spectrum    1 weight  0.10000E+01 volume  0.11977E-02 ppm1    116.607 ppm2      0.866 CV     1
 OR { 5197}
   (  segid "    " and resid 92   and name HG2%)
   (( segid "    " and resid 94   and name HN  ))
 ASSI { 5199}
   (  segid "    " and resid 91   and name HB% )
   (( segid "    " and resid 94   and name HN  ))
      3.300     1.400     1.400 peak  5199 spectrum    1 weight  0.10000E+01 volume  0.20095E-02 ppm1    116.607 ppm2      1.457 CV     1
 ASSI { 4540}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      2.100     0.500     0.500 peak  4540 spectrum    1 weight  0.10000E+01 volume  0.10670E-01 ppm1    116.372 ppm2      8.055 CV     1
 ASSI { 4541}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 31   and name HN  ))
      3.600     1.600     1.600 peak  4541 spectrum    1 weight  0.10000E+01 volume  0.38272E-02 ppm1    116.371 ppm2      2.130 CV     1
 ASSI { 4545}
   (  segid "    " and resid 28   and name HD2%)
   (( segid "    " and resid 32   and name HE22))
      3.000     1.100     1.100 peak  4545 spectrum    1 weight  0.10000E+01 volume  0.77839E-03 ppm1    111.326 ppm2      0.821 CV     1
 OR { 4545}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 32   and name HE22))
 ASSI { 4547}
   (( segid "    " and resid 32   and name HG2 ))
   (( segid "    " and resid 32   and name HE22))
      3.900     1.900     1.900 peak  4547 spectrum    1 weight  0.10000E+01 volume  0.10170E-02 ppm1    111.326 ppm2      2.458 CV     1
 ASSI { 4549}
   (( segid "    " and resid 31   and name HD2 ))
   (( segid "    " and resid 32   and name HE21))
      3.900     1.900     1.900 peak  4549 spectrum    1 weight  0.10000E+01 volume  0.52188E-03 ppm1    111.326 ppm2      1.604 CV     1
 OR { 4549}
   (( segid "    " and resid 31   and name HD1 ))
   (( segid "    " and resid 32   and name HE21))
 ASSI { 4550}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 32   and name HE21))
      4.000     2.000     2.000 peak  4550 spectrum    1 weight  0.10000E+01 volume  0.65567E-03 ppm1    111.326 ppm2      2.112 CV     1
 ASSI { 4551}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 32   and name HE22))
      4.500     2.500     1.500 peak  4551 spectrum    1 weight  0.10000E+01 volume  0.57541E-03 ppm1    111.326 ppm2      2.113 CV     1
 ASSI { 4552}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 32   and name HE22))
      1.600     0.300     0.600 peak  4552 spectrum    1 weight  0.10000E+01 volume  0.29136E-01 ppm1    111.326 ppm2      6.733 CV     1
 ASSI { 4554}
   (( segid "    " and resid 32   and name HG1 ))
   (( segid "    " and resid 32   and name HE21))
      3.100     1.200     1.200 peak  4554 spectrum    1 weight  0.10000E+01 volume  0.21366E-02 ppm1    111.326 ppm2      2.305 CV     1
 ASSI { 4555}
   (( segid "    " and resid 32   and name HG1 ))
   (( segid "    " and resid 32   and name HE22))
      3.400     1.400     1.400 peak  4555 spectrum    1 weight  0.10000E+01 volume  0.25559E-02 ppm1    111.326 ppm2      2.310 CV     1
 ASSI { 4557}
   (  segid "    " and resid 35   and name HB% )
   (( segid "    " and resid 32   and name HE21))
      4.200     2.200     1.800 peak  4557 spectrum    1 weight  0.10000E+01 volume  0.36799E-03 ppm1    111.326 ppm2      1.485 CV     1
 ASSI { 4559}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 33   and name HN  ))
      3.700     3.700     2.300 peak  4559 spectrum    1 weight  0.10000E+01 volume  0.21633E-03 ppm1    120.280 ppm2      0.560 CV     1
 ASSI { 4560}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HN  ))
      3.300     1.300     1.300 peak  4560 spectrum    1 weight  0.10000E+01 volume  0.12646E-02 ppm1    120.280 ppm2      0.761 CV     1
 ASSI { 4561}
   (( segid "    " and resid 32   and name HG2 ))
   (( segid "    " and resid 33   and name HN  ))
      3.900     1.900     1.900 peak  4561 spectrum    1 weight  0.10000E+01 volume  0.10772E-02 ppm1    120.280 ppm2      2.468 CV     1
 ASSI { 4562}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      3.200     1.300     1.300 peak  4562 spectrum    1 weight  0.10000E+01 volume  0.18400E-02 ppm1    120.280 ppm2      3.947 CV     1
 ASSI { 4563}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      2.500     2.500     3.500 peak  4563 spectrum    1 weight  0.10000E+01 volume  0.49869E-02 ppm1    120.280 ppm2      4.083 CV     1
 ASSI { 4564}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 33   and name HN  ))
      3.100     1.200     1.200 peak  4564 spectrum    1 weight  0.10000E+01 volume  0.32361E-02 ppm1    120.280 ppm2      2.107 CV     1
 ASSI { 4565}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
      2.600     2.600     3.400 peak  4565 spectrum    1 weight  0.10000E+01 volume  0.25537E-02 ppm1    120.280 ppm2      2.260 CV     1
 ASSI { 4566}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      1.800     1.800     4.200 peak  4566 spectrum    1 weight  0.10000E+01 volume  0.25019E-01 ppm1    120.263 ppm2      8.078 CV     1
 ASSI { 4567}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      2.400     0.700     0.700 peak  4567 spectrum    1 weight  0.10000E+01 volume  0.46301E-02 ppm1    120.280 ppm2      4.107 CV     1
 ASSI { 4568}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 33   and name HN  ))
      3.400     1.500     1.500 peak  4568 spectrum    1 weight  0.10000E+01 volume  0.17820E-02 ppm1    120.280 ppm2      1.276 CV     1
 ASSI { 4569}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
      2.400     0.700     0.700 peak  4569 spectrum    1 weight  0.10000E+01 volume  0.34168E-02 ppm1    120.280 ppm2      1.841 CV     1
 ASSI { 4572}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 34   and name HN  ))
      2.900     2.900     3.100 peak  4572 spectrum    1 weight  0.10000E+01 volume  0.93005E-03 ppm1    123.131 ppm2      0.570 CV     1
 ASSI { 4573}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 34   and name HN  ))
      3.500     1.500     1.500 peak  4573 spectrum    1 weight  0.10000E+01 volume  0.14943E-02 ppm1    123.131 ppm2      0.760 CV     1
 ASSI { 4578}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      3.600     1.600     1.600 peak  4578 spectrum    1 weight  0.10000E+01 volume  0.75159E-03 ppm1    123.135 ppm2      3.960 CV     1
 ASSI { 4579}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      2.600     0.900     0.900 peak  4579 spectrum    1 weight  0.10000E+01 volume  0.30599E-02 ppm1    123.133 ppm2      4.106 CV     1
 ASSI { 4580}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 34   and name HN  ))
      3.000     1.100     1.100 peak  4580 spectrum    1 weight  0.10000E+01 volume  0.28592E-02 ppm1    123.131 ppm2      1.280 CV     1
 ASSI { 4581}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      2.400     0.700     0.700 peak  4581 spectrum    1 weight  0.10000E+01 volume  0.26674E-02 ppm1    123.131 ppm2      1.840 CV     1
 ASSI { 4582}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      2.700     0.900     0.900 peak  4582 spectrum    1 weight  0.10000E+01 volume  0.22883E-02 ppm1    123.132 ppm2      7.994 CV     1
 ASSI { 4583}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      2.600     0.900     0.900 peak  4583 spectrum    1 weight  0.10000E+01 volume  0.30377E-02 ppm1    123.138 ppm2      4.117 CV     1
 ASSI { 4584}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HN  ))
      2.400     0.700     0.700 peak  4584 spectrum    1 weight  0.10000E+01 volume  0.41394E-02 ppm1    123.131 ppm2      1.951 CV     1
 ASSI { 4585}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HN  ))
      2.400     0.700     0.700 peak  4585 spectrum    1 weight  0.10000E+01 volume  0.32562E-02 ppm1    123.131 ppm2      2.273 CV     1
 OR { 4585}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 34   and name HN  ))
 ASSI { 4586}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      2.800     1.000     1.000 peak  4586 spectrum    1 weight  0.10000E+01 volume  0.20608E-02 ppm1    123.135 ppm2      7.871 CV     1
 ASSI { 4588}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      4.600     2.600     1.400 peak  4588 spectrum    1 weight  0.10000E+01 volume  0.15612E-03 ppm1    123.133 ppm2      9.251 CV     1
 ASSI { 4590}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      3.400     1.400     1.400 peak  4590 spectrum    1 weight  0.10000E+01 volume  0.10638E-02 ppm1    122.015 ppm2      8.056 CV     1
 ASSI { 4591}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.500     2.500     3.500 peak  4591 spectrum    1 weight  0.10000E+01 volume  0.59548E-02 ppm1    122.014 ppm2      4.117 CV     1
 ASSI { 4593}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
      3.300     1.300     1.300 peak  4593 spectrum    1 weight  0.10000E+01 volume  0.19560E-02 ppm1    122.014 ppm2      2.273 CV     1
 ASSI { 4595}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.500     0.800     0.800 peak  4595 spectrum    1 weight  0.10000E+01 volume  0.53973E-02 ppm1    122.014 ppm2      4.057 CV     1
 ASSI { 4596}
   (  segid "    " and resid 35   and name HB% )
   (( segid "    " and resid 35   and name HN  ))
      2.300     0.600     0.600 peak  4596 spectrum    1 weight  0.10000E+01 volume  0.77637E-02 ppm1    122.014 ppm2      1.488 CV     1
 ASSI { 4599}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 36   and name HN  ))
      3.400     1.400     1.400 peak  4599 spectrum    1 weight  0.10000E+01 volume  0.18110E-02 ppm1    115.353 ppm2      2.241 CV     1
 ASSI { 5200}
   (( segid "    " and resid 90   and name HG1 ))
   (( segid "    " and resid 94   and name HN  ))
      3.500     3.500     2.500 peak  5200 spectrum    1 weight  0.10000E+01 volume  0.10817E-02 ppm1    116.607 ppm2      1.638 CV     1
 OR { 5200}
   (( segid "    " and resid 90   and name HG2 ))
   (( segid "    " and resid 94   and name HN  ))
 ASSI { 5203}
   (( segid "    " and resid 93   and name HB1 ))
   (( segid "    " and resid 94   and name HN  ))
      2.600     0.800     0.800 peak  5203 spectrum    1 weight  0.10000E+01 volume  0.47215E-02 ppm1    116.522 ppm2      2.026 CV     1
 ASSI { 5204}
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 94   and name HN  ))
      2.600     0.900     0.900 peak  5204 spectrum    1 weight  0.10000E+01 volume  0.35350E-02 ppm1    116.522 ppm2      2.162 CV     1
 ASSI { 5208}
   (( segid "    " and resid 94   and name HB1 ))
   (( segid "    " and resid 94   and name HN  ))
      2.500     0.800     0.800 peak  5208 spectrum    1 weight  0.10000E+01 volume  0.50248E-02 ppm1    116.522 ppm2      1.990 CV     1
 OR { 5208}
   (( segid "    " and resid 94   and name HB2 ))
   (( segid "    " and resid 94   and name HN  ))
 ASSI { 5209}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
      2.900     1.000     1.000 peak  5209 spectrum    1 weight  0.10000E+01 volume  0.16950E-02 ppm1    116.601 ppm2      8.653 CV     1
 ASSI { 5211}
   (  segid "    " and resid 73   and name HG1%)
   (( segid "    " and resid 95   and name HN  ))
      3.200     3.200     2.800 peak  5211 spectrum    1 weight  0.10000E+01 volume  0.31224E-02 ppm1    120.516 ppm2      0.733 CV     1
 OR { 5211}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 95   and name HN  ))
 ASSI { 5212}
   (  segid "    " and resid 91   and name HB% )
   (( segid "    " and resid 95   and name HN  ))
      4.000     2.000     2.000 peak  5212 spectrum    1 weight  0.10000E+01 volume  0.50850E-03 ppm1    120.516 ppm2      1.470 CV     1
 ASSI { 5214}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 95   and name HN  ))
      2.900     2.900     3.100 peak  5214 spectrum    1 weight  0.10000E+01 volume  0.31959E-02 ppm1    120.516 ppm2      1.844 CV     1
 OR { 5214}
   (( segid "    " and resid 97   and name HB1 ))
   (( segid "    " and resid 95   and name HN  ))
 ASSI { 5215}
   (( segid "    " and resid 92   and name HB  ))
   (( segid "    " and resid 95   and name HN  ))
      3.700     1.700     1.700 peak  5215 spectrum    1 weight  0.10000E+01 volume  0.11910E-02 ppm1    120.516 ppm2      2.095 CV     1
 ASSI { 5217}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 95   and name HN  ))
      4.000     2.000     2.000 peak  5217 spectrum    1 weight  0.10000E+01 volume  0.41037E-03 ppm1    120.516 ppm2      3.857 CV     1
 ASSI { 5218}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 95   and name HN  ))
      4.500     2.500     1.500 peak  5218 spectrum    1 weight  0.10000E+01 volume  0.20296E-03 ppm1    120.516 ppm2      7.738 CV     1
 ASSI { 5219}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 95   and name HN  ))
      3.900     1.900     1.900 peak  5219 spectrum    1 weight  0.10000E+01 volume  0.31447E-03 ppm1    120.516 ppm2      3.232 CV     1
 ASSI { 5220}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 95   and name HN  ))
      3.900     1.900     1.900 peak  5220 spectrum    1 weight  0.10000E+01 volume  0.43490E-03 ppm1    120.516 ppm2      4.057 CV     1
 ASSI { 5221}
   (( segid "    " and resid 94   and name HB1 ))
   (( segid "    " and resid 95   and name HN  ))
      2.500     0.800     0.800 peak  5221 spectrum    1 weight  0.10000E+01 volume  0.37357E-02 ppm1    120.516 ppm2      1.996 CV     1
 OR { 5221}
   (( segid "    " and resid 94   and name HB2 ))
   (( segid "    " and resid 95   and name HN  ))
 ASSI { 5223}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 95   and name HN  ))
      3.200     1.300     1.300 peak  5223 spectrum    1 weight  0.10000E+01 volume  0.10393E-02 ppm1    120.516 ppm2      3.484 CV     1
 ASSI { 5224}
   (( segid "    " and resid 95   and name HB  ))
   (( segid "    " and resid 95   and name HN  ))
      2.500     0.800     0.800 peak  5224 spectrum    1 weight  0.10000E+01 volume  0.36086E-02 ppm1    120.516 ppm2      1.928 CV     1
 ASSI { 5225}
   (  segid "    " and resid 95   and name HG1%)
   (( segid "    " and resid 95   and name HN  ))
      3.300     1.300     1.300 peak  5225 spectrum    1 weight  0.10000E+01 volume  0.37290E-02 ppm1    120.516 ppm2      0.805 CV     1
 ASSI { 5226}
   (  segid "    " and resid 95   and name HG2%)
   (( segid "    " and resid 95   and name HN  ))
      2.600     0.800     0.800 peak  5226 spectrum    1 weight  0.10000E+01 volume  0.34636E-02 ppm1    120.516 ppm2      0.890 CV     1
 ASSI { 5228}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 96   and name HN  ))
      3.200     3.200     2.800 peak  5228 spectrum    1 weight  0.10000E+01 volume  0.20496E-02 ppm1    118.694 ppm2      0.758 CV     1
 ASSI { 5229}
   (  segid "    " and resid 92   and name HG1%)
   (( segid "    " and resid 96   and name HN  ))
      3.000     1.200     1.200 peak  5229 spectrum    1 weight  0.10000E+01 volume  0.20541E-02 ppm1    118.694 ppm2      0.859 CV     1
 ASSI { 5231}
   (( segid "    " and resid 99   and name HG  ))
   (( segid "    " and resid 96   and name HN  ))
      5.000     3.100     1.000 peak  5231 spectrum    1 weight  0.10000E+01 volume  0.11821E-03 ppm1    118.694 ppm2      1.540 CV     1
 ASSI { 5232}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 96   and name HN  ))
      3.500     1.500     1.500 peak  5232 spectrum    1 weight  0.10000E+01 volume  0.70926E-03 ppm1    118.694 ppm2      3.814 CV     1
 ASSI { 5234}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 96   and name HN  ))
      6.000     4.500     0.000 peak  5234 spectrum    1 weight  0.10000E+01 volume  0.31224E-04 ppm1    118.607 ppm2      7.912 CV     1
 ASSI { 5236}
   (( segid "    " and resid 95   and name HB  ))
   (( segid "    " and resid 96   and name HN  ))
      2.700     0.900     0.900 peak  5236 spectrum    1 weight  0.10000E+01 volume  0.23061E-02 ppm1    118.694 ppm2      1.919 CV     1
 ASSI { 5237}
   (( segid "    " and resid 78   and name HB1 ))
   (( segid "    " and resid 79   and name HN  ))
      3.100     1.200     1.200 peak  5237 spectrum    1 weight  0.10000E+01 volume  0.45810E-02 ppm1    118.694 ppm2      1.812 CV     1
 ASSI { 5238}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HN  ))
      3.000     1.100     1.100 peak  5238 spectrum    1 weight  0.10000E+01 volume  0.14051E-02 ppm1    118.694 ppm2      3.648 CV     1
 ASSI { 5239}
   (( segid "    " and resid 96   and name HB2 ))
   (( segid "    " and resid 96   and name HN  ))
      2.400     0.700     0.700 peak  5239 spectrum    1 weight  0.10000E+01 volume  0.49490E-02 ppm1    118.694 ppm2      1.761 CV     1
 OR { 5239}
   (( segid "    " and resid 96   and name HB1 ))
   (( segid "    " and resid 96   and name HN  ))
 ASSI { 5240}
   (( segid "    " and resid 96   and name HD1 ))
   (( segid "    " and resid 96   and name HN  ))
      3.000     1.100     1.100 peak  5240 spectrum    1 weight  0.10000E+01 volume  0.41215E-02 ppm1    118.694 ppm2      1.675 CV     1
 OR { 5240}
   (( segid "    " and resid 96   and name HD2 ))
   (( segid "    " and resid 96   and name HN  ))
 ASSI { 5241}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HN  ))
      3.000     1.100     1.100 peak  5241 spectrum    1 weight  0.10000E+01 volume  0.11754E-02 ppm1    118.694 ppm2      7.049 CV     1
 ASSI { 5242}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 96   and name HN  ))
      6.000     6.000     0.000 peak  5242 spectrum    1 weight  0.10000E+01 volume  0.89213E-05 ppm1    118.607 ppm2      7.468 CV     1
 ASSI { 5243}
   (  segid "    " and resid 95   and name HG1%)
   (( segid "    " and resid 97   and name HN  ))
      3.600     1.600     1.600 peak  5243 spectrum    1 weight  0.10000E+01 volume  0.99690E-03 ppm1    116.032 ppm2      0.793 CV     1
 ASSI { 5245}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      4.500     2.500     1.500 peak  5245 spectrum    1 weight  0.10000E+01 volume  0.29663E-03 ppm1    116.032 ppm2      2.811 CV     1
 OR { 5245}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 21   and name HN  ))
 ASSI { 5246}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 97   and name HN  ))
      3.300     1.400     1.400 peak  5246 spectrum    1 weight  0.10000E+01 volume  0.88543E-03 ppm1    116.032 ppm2      4.081 CV     1
 ASSI { 5248}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 97   and name HN  ))
      4.700     2.800     1.300 peak  5248 spectrum    1 weight  0.10000E+01 volume  0.13159E-03 ppm1    116.032 ppm2      3.488 CV     1
 ASSI { 5250}
   (( segid "    " and resid 96   and name HB1 ))
   (( segid "    " and resid 97   and name HN  ))
      2.400     0.700     0.700 peak  5250 spectrum    1 weight  0.10000E+01 volume  0.65099E-02 ppm1    116.032 ppm2      1.763 CV     1
 OR { 5250}
   (( segid "    " and resid 96   and name HB2 ))
   (( segid "    " and resid 97   and name HN  ))
 ASSI { 5253}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 97   and name HN  ))
      2.400     0.700     0.700 peak  5253 spectrum    1 weight  0.10000E+01 volume  0.55712E-02 ppm1    116.032 ppm2      1.849 CV     1
 OR { 5253}
   (( segid "    " and resid 97   and name HB1 ))
   (( segid "    " and resid 97   and name HN  ))
 ASSI { 5255}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HN  ))
      2.900     1.000     1.000 peak  5255 spectrum    1 weight  0.10000E+01 volume  0.14988E-02 ppm1    116.055 ppm2      7.474 CV     1
 ASSI { 5257}
   (  segid "    " and resid 95   and name HG1%)
   (( segid "    " and resid 98   and name HN  ))
      3.200     1.300     1.300 peak  5257 spectrum    1 weight  0.10000E+01 volume  0.24064E-02 ppm1    117.088 ppm2      0.860 CV     1
 OR { 5257}
   (  segid "    " and resid 95   and name HG2%)
   (( segid "    " and resid 98   and name HN  ))
 ASSI { 5259}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 98   and name HN  ))
      3.500     1.600     1.600 peak  5259 spectrum    1 weight  0.10000E+01 volume  0.56203E-03 ppm1    117.086 ppm2      3.483 CV     1
 ASSI { 4601}
   (  segid "    " and resid 35   and name HB% )
   (( segid "    " and resid 36   and name HN  ))
      2.600     0.800     0.800 peak  4601 spectrum    1 weight  0.10000E+01 volume  0.40212E-02 ppm1    115.351 ppm2      1.487 CV     1
 ASSI { 4602}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      2.600     0.800     0.800 peak  4602 spectrum    1 weight  0.10000E+01 volume  0.27856E-02 ppm1    115.351 ppm2      7.864 CV     1
 ASSI { 5260}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 98   and name HN  ))
      3.000     1.100     1.100 peak  5260 spectrum    1 weight  0.10000E+01 volume  0.19783E-02 ppm1    117.086 ppm2      3.916 CV     1
 ASSI { 5261}
   (( segid "    " and resid 97   and name HB1 ))
   (( segid "    " and resid 98   and name HN  ))
      2.400     0.700     0.700 peak  5261 spectrum    1 weight  0.10000E+01 volume  0.63005E-02 ppm1    117.088 ppm2      1.854 CV     1
 OR { 5261}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 98   and name HN  ))
 ASSI { 5264}
   (( segid "    " and resid 98   and name HB1 ))
   (( segid "    " and resid 98   and name HN  ))
      3.400     1.500     1.500 peak  5264 spectrum    1 weight  0.10000E+01 volume  0.22325E-02 ppm1    117.088 ppm2      1.404 CV     1
 ASSI { 4608}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      2.500     0.800     0.800 peak  4608 spectrum    1 weight  0.10000E+01 volume  0.27343E-02 ppm1    115.353 ppm2      7.946 CV     1
 ASSI { 5265}
   (( segid "    " and resid 98   and name HB2 ))
   (( segid "    " and resid 98   and name HN  ))
      2.300     0.700     0.700 peak  5265 spectrum    1 weight  0.10000E+01 volume  0.40747E-02 ppm1    117.086 ppm2      1.971 CV     1
 ASSI { 4609}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      3.000     1.100     1.100 peak  4609 spectrum    1 weight  0.10000E+01 volume  0.21254E-02 ppm1    125.551 ppm2      4.081 CV     1
 ASSI { 5268}
   (( segid "    " and resid 97   and name HB1 ))
   (( segid "    " and resid 99   and name HN  ))
      3.200     3.200     2.800 peak  5268 spectrum    1 weight  0.10000E+01 volume  0.36264E-02 ppm1    115.528 ppm2      1.840 CV     1
 OR { 5268}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 99   and name HN  ))
 ASSI { 5269}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 99   and name HN  ))
      3.500     1.500     1.500 peak  5269 spectrum    1 weight  0.10000E+01 volume  0.72486E-03 ppm1    115.528 ppm2      3.645 CV     1
 ASSI { 4610}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 37   and name HN  ))
      3.500     1.500     1.500 peak  4610 spectrum    1 weight  0.10000E+01 volume  0.13805E-02 ppm1    125.555 ppm2      2.017 CV     1
 ASSI { 4613}
   (( segid "    " and resid 37   and name HB  ))
   (( segid "    " and resid 37   and name HN  ))
      4.100     2.100     1.900 peak  4613 spectrum    1 weight  0.10000E+01 volume  0.57764E-03 ppm1    125.552 ppm2      4.240 CV     1
 ASSI { 4614}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 37   and name HN  ))
      2.700     0.900     0.900 peak  4614 spectrum    1 weight  0.10000E+01 volume  0.15211E-02 ppm1    125.552 ppm2      1.128 CV     1
 ASSI { 4615}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      2.400     0.700     0.700 peak  4615 spectrum    1 weight  0.10000E+01 volume  0.35863E-02 ppm1    125.555 ppm2      8.131 CV     1
 ASSI { 5272}
   (( segid "    " and resid 98   and name HB1 ))
   (( segid "    " and resid 99   and name HN  ))
      3.200     1.300     1.300 peak  5272 spectrum    1 weight  0.10000E+01 volume  0.12735E-02 ppm1    115.528 ppm2      1.404 CV     1
 ASSI { 5273}
   (( segid "    " and resid 98   and name HB2 ))
   (( segid "    " and resid 99   and name HN  ))
      3.000     1.100     1.100 peak  5273 spectrum    1 weight  0.10000E+01 volume  0.19024E-02 ppm1    115.528 ppm2      1.971 CV     1
 ASSI { 5274}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 99   and name HN  ))
      2.800     0.900     0.900 peak  5274 spectrum    1 weight  0.10000E+01 volume  0.20251E-02 ppm1    115.528 ppm2      7.473 CV     1
 ASSI { 4618}
   (( segid "    " and resid 87   and name HG1 ))
   (( segid "    " and resid 37   and name HN  ))
      4.500     2.500     1.500 peak  4618 spectrum    1 weight  0.10000E+01 volume  0.48620E-03 ppm1    125.552 ppm2      1.458 CV     1
 OR { 4618}
   (( segid "    " and resid 87   and name HG2 ))
   (( segid "    " and resid 37   and name HN  ))
 ASSI { 5275}
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 99   and name HN  ))
      3.100     1.200     1.200 peak  5275 spectrum    1 weight  0.10000E+01 volume  0.11441E-02 ppm1    115.528 ppm2      4.283 CV     1
 ASSI { 5276}
   (( segid "    " and resid 99   and name HB2 ))
   (( segid "    " and resid 99   and name HN  ))
      3.100     1.200     1.200 peak  5276 spectrum    1 weight  0.10000E+01 volume  0.29997E-02 ppm1    115.528 ppm2      1.741 CV     1
 ASSI { 5277}
   (  segid "    " and resid 99   and name HD1%)
   (( segid "    " and resid 99   and name HN  ))
      3.100     1.200     1.200 peak  5277 spectrum    1 weight  0.10000E+01 volume  0.15255E-02 ppm1    115.528 ppm2      0.594 CV     1
 ASSI { 5278}
   (  segid "    " and resid 99   and name HD2%)
   (( segid "    " and resid 99   and name HN  ))
      3.200     1.300     1.300 peak  5278 spectrum    1 weight  0.10000E+01 volume  0.16526E-02 ppm1    115.528 ppm2      0.707 CV     1
 ASSI { 5279}
   (( segid "    " and resid 99   and name HG  ))
   (( segid "    " and resid 99   and name HN  ))
      2.900     1.100     1.100 peak  5279 spectrum    1 weight  0.10000E+01 volume  0.14296E-02 ppm1    115.528 ppm2      1.535 CV     1
 ASSI { 4622}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 38   and name HN  ))
      5.400     3.700     0.600 peak  4622 spectrum    1 weight  0.10000E+01 volume  0.16950E-03 ppm1    108.890 ppm2      2.013 CV     1
 ASSI { 4623}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 38   and name HN  ))
      4.600     2.700     1.400 peak  4623 spectrum    1 weight  0.10000E+01 volume  0.29663E-03 ppm1    108.890 ppm2      2.284 CV     1
 OR { 4623}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI { 5281}
   (  segid "    " and resid 99   and name HD1%)
   (( segid "    " and resid 100  and name HN  ))
      3.800     1.800     1.800 peak  5281 spectrum    1 weight  0.10000E+01 volume  0.51296E-03 ppm1    117.275 ppm2      0.611 CV     1
 ASSI { 4627}
   (( segid "    " and resid 38   and name HA1 ))
   (( segid "    " and resid 38   and name HN  ))
      3.000     1.100     1.100 peak  4627 spectrum    1 weight  0.10000E+01 volume  0.31157E-02 ppm1    108.962 ppm2      3.847 CV     1
 ASSI { 5284}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
      4.000     2.000     2.000 peak  5284 spectrum    1 weight  0.10000E+01 volume  0.46613E-03 ppm1    117.275 ppm2      7.461 CV     1
 ASSI { 5285}
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 100  and name HN  ))
      3.000     1.100     1.100 peak  5285 spectrum    1 weight  0.10000E+01 volume  0.14251E-02 ppm1    117.275 ppm2      4.282 CV     1
 ASSI { 4629}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      2.800     1.000     1.000 peak  4629 spectrum    1 weight  0.10000E+01 volume  0.19359E-02 ppm1    108.966 ppm2      7.460 CV     1
 ASSI { 5286}
   (( segid "    " and resid 99   and name HB2 ))
   (( segid "    " and resid 100  and name HN  ))
      3.700     1.700     1.700 peak  5286 spectrum    1 weight  0.10000E+01 volume  0.78730E-03 ppm1    117.275 ppm2      1.740 CV     1
 ASSI { 5287}
   (( segid "    " and resid 99   and name HB1 ))
   (( segid "    " and resid 100  and name HN  ))
      4.300     2.300     1.700 peak  5287 spectrum    1 weight  0.10000E+01 volume  0.41706E-03 ppm1    117.275 ppm2      1.509 CV     1
 ASSI { 5288}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
      2.900     1.000     1.000 peak  5288 spectrum    1 weight  0.10000E+01 volume  0.20340E-02 ppm1    117.275 ppm2      7.201 CV     1
 ASSI { 5289}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HN  ))
      2.800     1.000     1.000 peak  5289 spectrum    1 weight  0.10000E+01 volume  0.22749E-02 ppm1    117.275 ppm2      4.144 CV     1
 ASSI { 5290}
   (( segid "    " and resid 100  and name HB  ))
   (( segid "    " and resid 100  and name HN  ))
      2.600     0.900     0.900 peak  5290 spectrum    1 weight  0.10000E+01 volume  0.36108E-02 ppm1    117.275 ppm2      1.931 CV     1
 ASSI { 5291}
   (  segid "    " and resid 100  and name HG1%)
   (( segid "    " and resid 100  and name HN  ))
      4.900     3.000     1.100 peak  5291 spectrum    1 weight  0.10000E+01 volume  0.11151E-03 ppm1    117.275 ppm2      0.829 CV     1
 OR { 5291}
   (  segid "    " and resid 100  and name HG2%)
   (( segid "    " and resid 100  and name HN  ))
 ASSI { 5292}
   (( segid "    " and resid 101  and name HD1 ))
   (( segid "    " and resid 100  and name HN  ))
      5.000     3.200     1.000 peak  5292 spectrum    1 weight  0.10000E+01 volume  0.22303E-03 ppm1    117.275 ppm2      2.887 CV     1
 ASSI { 5293}
   (( segid "    " and resid 101  and name HD2 ))
   (( segid "    " and resid 100  and name HN  ))
      4.500     2.600     1.500 peak  5293 spectrum    1 weight  0.10000E+01 volume  0.48843E-03 ppm1    117.275 ppm2      3.050 CV     1
 ASSI { 5295}
   (  segid "    " and resid 13   and name HE% )
   (( segid "    " and resid 102  and name HN  ))
      4.900     3.000     1.100 peak  5295 spectrum    1 weight  0.10000E+01 volume  0.22303E-03 ppm1    122.858 ppm2      6.788 CV     1
 ASSI { 4639}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      4.000     2.000     2.000 peak  4639 spectrum    1 weight  0.10000E+01 volume  0.67355E-03 ppm1    116.980 ppm2      8.678 CV     1
 ASSI { 5296}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 102  and name HN  ))
      4.100     2.100     1.900 peak  5296 spectrum    1 weight  0.10000E+01 volume  0.41260E-03 ppm1    122.858 ppm2      6.885 CV     1
 ASSI { 5297}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 102  and name HN  ))
      2.600     0.900     0.900 peak  5297 spectrum    1 weight  0.10000E+01 volume  0.37736E-02 ppm1    122.858 ppm2      3.059 CV     1
 ASSI { 5298}
   (( segid "    " and resid 101  and name HB1 ))
   (( segid "    " and resid 102  and name HN  ))
      3.600     1.600     1.600 peak  5298 spectrum    1 weight  0.10000E+01 volume  0.13939E-02 ppm1    122.858 ppm2      0.831 CV     1
 ASSI { 5299}
   (( segid "    " and resid 101  and name HB2 ))
   (( segid "    " and resid 102  and name HN  ))
      3.500     1.600     1.600 peak  5299 spectrum    1 weight  0.10000E+01 volume  0.59325E-03 ppm1    122.858 ppm2      1.048 CV     1
 ASSI { 4640}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 40   and name HN  ))
      5.000     3.200     1.000 peak  4640 spectrum    1 weight  0.10000E+01 volume  0.12044E-03 ppm1    119.491 ppm2      0.670 CV     1
 ASSI { 4641}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      2.600     0.900     0.900 peak  4641 spectrum    1 weight  0.10000E+01 volume  0.27343E-02 ppm1    119.491 ppm2      4.815 CV     1
 ASSI { 4642}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 40   and name HN  ))
      5.500     3.800     0.500 peak  4642 spectrum    1 weight  0.10000E+01 volume  0.10036E-03 ppm1    119.491 ppm2      2.466 CV     1
 OR { 4642}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
 ASSI { 4644}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      2.400     0.700     0.700 peak  4644 spectrum    1 weight  0.10000E+01 volume  0.49869E-02 ppm1    119.491 ppm2      4.497 CV     1
 ASSI { 4645}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HN  ))
      2.700     0.900     0.900 peak  4645 spectrum    1 weight  0.10000E+01 volume  0.22370E-02 ppm1    119.491 ppm2      1.557 CV     1
 ASSI { 4646}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
      3.100     1.200     1.200 peak  4646 spectrum    1 weight  0.10000E+01 volume  0.20608E-02 ppm1    119.491 ppm2      1.666 CV     1
 ASSI { 4647}
   (( segid "    " and resid 40   and name HD1 ))
   (( segid "    " and resid 40   and name HN  ))
      3.400     1.400     1.400 peak  4647 spectrum    1 weight  0.10000E+01 volume  0.20140E-02 ppm1    119.491 ppm2      1.524 CV     1
 ASSI { 4648}
   (( segid "    " and resid 40   and name HD2 ))
   (( segid "    " and resid 40   and name HN  ))
      5.800     4.200     0.200 peak  4648 spectrum    1 weight  0.10000E+01 volume  0.12044E-03 ppm1    119.491 ppm2      1.680 CV     1
 ASSI { 4649}
   (( segid "    " and resid 40   and name HG1 ))
   (( segid "    " and resid 40   and name HN  ))
      3.800     1.800     1.800 peak  4649 spectrum    1 weight  0.10000E+01 volume  0.76499E-03 ppm1    119.491 ppm2      1.211 CV     1
 ASSI { 4650}
   (( segid "    " and resid 40   and name HG2 ))
   (( segid "    " and resid 40   and name HN  ))
      3.600     1.600     1.600 peak  4650 spectrum    1 weight  0.10000E+01 volume  0.73820E-03 ppm1    119.491 ppm2      1.300 CV     1
 ASSI { 4653}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 40   and name HN  ))
      2.600     2.600     3.400 peak  4653 spectrum    1 weight  0.10000E+01 volume  0.18912E-02 ppm1    119.491 ppm2      0.900 CV     1
 ASSI { 4656}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      2.300     0.700     0.700 peak  4656 spectrum    1 weight  0.10000E+01 volume  0.42665E-02 ppm1    123.320 ppm2      4.488 CV     1
 ASSI { 4658}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      4.000     2.000     2.000 peak  4658 spectrum    1 weight  0.10000E+01 volume  0.42821E-03 ppm1    123.315 ppm2      8.668 CV     1
 ASSI { 4659}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      2.400     0.700     0.700 peak  4659 spectrum    1 weight  0.10000E+01 volume  0.34368E-02 ppm1    123.322 ppm2      4.558 CV     1
 ASSI { 4660}
   (( segid "    " and resid 41   and name HB  ))
   (( segid "    " and resid 41   and name HN  ))
      2.600     0.800     0.800 peak  4660 spectrum    1 weight  0.10000E+01 volume  0.29506E-02 ppm1    123.320 ppm2      1.568 CV     1
 ASSI { 4661}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 41   and name HN  ))
      5.100     3.300     0.900 peak  4661 spectrum    1 weight  0.10000E+01 volume  0.80291E-03 ppm1    123.319 ppm2      0.579 CV     1
 ASSI { 4662}
   (( segid "    " and resid 41   and name HG11))
   (( segid "    " and resid 41   and name HN  ))
      4.700     2.700     1.300 peak  4662 spectrum    1 weight  0.10000E+01 volume  0.43713E-03 ppm1    123.320 ppm2      0.930 CV     1
 ASSI { 4663}
   (( segid "    " and resid 41   and name HG12))
   (( segid "    " and resid 41   and name HN  ))
      3.900     1.900     1.900 peak  4663 spectrum    1 weight  0.10000E+01 volume  0.10861E-02 ppm1    123.323 ppm2      1.310 CV     1
 ASSI { 4664}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 41   and name HN  ))
      3.000     3.000     3.000 peak  4664 spectrum    1 weight  0.10000E+01 volume  0.83412E-03 ppm1    123.323 ppm2      0.498 CV     1
 ASSI { 4668}
   (( segid "    " and resid 44   and name HG2 ))
   (( segid "    " and resid 42   and name HN  ))
      4.100     2.100     1.900 peak  4668 spectrum    1 weight  0.10000E+01 volume  0.74490E-03 ppm1    123.691 ppm2      0.911 CV     1
 ASSI { 4669}
   (( segid "    " and resid 41   and name HB  ))
   (( segid "    " and resid 42   and name HN  ))
      4.100     2.100     1.900 peak  4669 spectrum    1 weight  0.10000E+01 volume  0.10237E-02 ppm1    123.689 ppm2      1.560 CV     1
 ASSI { 4670}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      2.300     0.700     0.700 peak  4670 spectrum    1 weight  0.10000E+01 volume  0.57006E-02 ppm1    123.692 ppm2      4.573 CV     1
 ASSI { 4671}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 42   and name HN  ))
      3.000     1.100     1.100 peak  4671 spectrum    1 weight  0.10000E+01 volume  0.25336E-02 ppm1    123.688 ppm2      1.717 CV     1
 OR { 4671}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HN  ))
 ASSI { 4672}
   (( segid "    " and resid 42   and name HG1 ))
   (( segid "    " and resid 42   and name HN  ))
      3.400     1.400     1.400 peak  4672 spectrum    1 weight  0.10000E+01 volume  0.91886E-03 ppm1    123.692 ppm2      2.155 CV     1
 ASSI { 4676}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 42   and name HN  ))
      3.300     3.300     2.700 peak  4676 spectrum    1 weight  0.10000E+01 volume  0.20117E-02 ppm1    123.689 ppm2      0.691 CV     1
 ASSI { 4681}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      2.300     0.700     0.700 peak  4681 spectrum    1 weight  0.10000E+01 volume  0.54597E-02 ppm1    122.810 ppm2      4.569 CV     1
 ASSI { 4682}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 43   and name HN  ))
      3.200     1.300     1.300 peak  4682 spectrum    1 weight  0.10000E+01 volume  0.19314E-02 ppm1    122.808 ppm2      1.712 CV     1
 OR { 4682}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 43   and name HN  ))
 ASSI { 4683}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 43   and name HN  ))
      4.700     2.800     1.300 peak  4683 spectrum    1 weight  0.10000E+01 volume  0.46613E-03 ppm1    122.808 ppm2      2.411 CV     1
 ASSI { 4684}
   (( segid "    " and resid 42   and name HG1 ))
   (( segid "    " and resid 43   and name HN  ))
      4.100     2.100     1.900 peak  4684 spectrum    1 weight  0.10000E+01 volume  0.41260E-03 ppm1    122.809 ppm2      2.148 CV     1
 ASSI { 4685}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      3.200     1.300     1.300 peak  4685 spectrum    1 weight  0.10000E+01 volume  0.81403E-03 ppm1    122.809 ppm2      4.382 CV     1
 ASSI { 4686}
   (( segid "    " and resid 43   and name HB  ))
   (( segid "    " and resid 43   and name HN  ))
      2.800     1.000     1.000 peak  4686 spectrum    1 weight  0.10000E+01 volume  0.24109E-02 ppm1    122.809 ppm2      1.914 CV     1
 ASSI { 4687}
   (  segid "    " and resid 43   and name HG1%)
   (( segid "    " and resid 43   and name HN  ))
      3.100     1.200     1.200 peak  4687 spectrum    1 weight  0.10000E+01 volume  0.34011E-02 ppm1    122.808 ppm2      0.745 CV     1
 ASSI { 4688}
   (  segid "    " and resid 43   and name HG2%)
   (( segid "    " and resid 43   and name HN  ))
      4.100     2.100     1.900 peak  4688 spectrum    1 weight  0.10000E+01 volume  0.21410E-03 ppm1    122.809 ppm2      0.799 CV     1
 ASSI { 4689}
   (( segid "    " and resid 44   and name HG1 ))
   (( segid "    " and resid 43   and name HN  ))
      3.800     1.800     1.800 peak  4689 spectrum    1 weight  0.10000E+01 volume  0.57541E-03 ppm1    122.808 ppm2      0.504 CV     1
 ASSI { 4692}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      3.600     1.600     1.600 peak  4692 spectrum    1 weight  0.10000E+01 volume  0.10460E-02 ppm1    128.333 ppm2      4.542 CV     1
 ASSI { 4693}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      2.300     0.700     0.700 peak  4693 spectrum    1 weight  0.10000E+01 volume  0.43758E-02 ppm1    128.331 ppm2      4.378 CV     1
 ASSI { 4694}
   (( segid "    " and resid 43   and name HB  ))
   (( segid "    " and resid 44   and name HN  ))
      4.500     2.600     1.500 peak  4694 spectrum    1 weight  0.10000E+01 volume  0.26540E-03 ppm1    128.330 ppm2      1.914 CV     1
 ASSI { 4695}
   (  segid "    " and resid 43   and name HG1%)
   (( segid "    " and resid 44   and name HN  ))
      3.000     1.100     1.100 peak  4695 spectrum    1 weight  0.10000E+01 volume  0.30310E-02 ppm1    128.331 ppm2      0.744 CV     1
 ASSI { 4696}
   (( segid "    " and resid 44   and name HB1 ))
   (( segid "    " and resid 44   and name HN  ))
      3.700     1.700     1.700 peak  4696 spectrum    1 weight  0.10000E+01 volume  0.98799E-03 ppm1    128.331 ppm2      0.347 CV     1
 ASSI { 4697}
   (( segid "    " and resid 44   and name HG1 ))
   (( segid "    " and resid 44   and name HN  ))
      3.000     1.100     1.100 peak  4697 spectrum    1 weight  0.10000E+01 volume  0.87204E-03 ppm1    128.331 ppm2      0.502 CV     1
 ASSI { 4698}
   (( segid "    " and resid 44   and name HG2 ))
   (( segid "    " and resid 44   and name HN  ))
      3.700     1.700     1.700 peak  4698 spectrum    1 weight  0.10000E+01 volume  0.71817E-03 ppm1    128.331 ppm2      0.907 CV     1
 ASSI { 4699}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      3.300     1.300     1.300 peak  4699 spectrum    1 weight  0.10000E+01 volume  0.80512E-03 ppm1    128.331 ppm2      9.113 CV     1
 ASSI { 5301}
   (  segid "    " and resid 102  and name HB% )
   (( segid "    " and resid 102  and name HN  ))
      3.000     1.100     1.100 peak  5301 spectrum    1 weight  0.10000E+01 volume  0.26941E-02 ppm1    122.858 ppm2      1.227 CV     1
 ASSI { 5306}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 103  and name HN  ))
      2.500     0.800     0.800 peak  5306 spectrum    1 weight  0.10000E+01 volume  0.52723E-02 ppm1    123.861 ppm2      4.157 CV     1
 ASSI { 5307}
   (  segid "    " and resid 102  and name HB% )
   (( segid "    " and resid 103  and name HN  ))
      2.700     0.900     0.900 peak  5307 spectrum    1 weight  0.10000E+01 volume  0.38718E-02 ppm1    123.861 ppm2      1.230 CV     1
 ASSI { 5310}
   (  segid "    " and resid 103  and name HB% )
   (( segid "    " and resid 103  and name HN  ))
      2.700     0.900     0.900 peak  5310 spectrum    1 weight  0.10000E+01 volume  0.38940E-02 ppm1    123.861 ppm2      1.291 CV     1
 ASSI { 5315}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 104  and name HN  ))
      2.500     0.800     0.800 peak  5315 spectrum    1 weight  0.10000E+01 volume  0.52924E-02 ppm1    120.037 ppm2      4.211 CV     1
 ASSI { 5316}
   (  segid "    " and resid 103  and name HB% )
   (( segid "    " and resid 104  and name HN  ))
      3.300     1.300     1.300 peak  5316 spectrum    1 weight  0.10000E+01 volume  0.15434E-02 ppm1    120.037 ppm2      1.294 CV     1
 ASSI { 5317}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 104  and name HN  ))
      2.500     0.800     0.800 peak  5317 spectrum    1 weight  0.10000E+01 volume  0.53460E-02 ppm1    120.037 ppm2      4.201 CV     1
 ASSI { 5318}
   (( segid "    " and resid 104  and name HB2 ))
   (( segid "    " and resid 104  and name HN  ))
      2.900     1.100     1.100 peak  5318 spectrum    1 weight  0.10000E+01 volume  0.23485E-02 ppm1    120.037 ppm2      1.917 CV     1
 OR { 5318}
   (( segid "    " and resid 104  and name HB1 ))
   (( segid "    " and resid 104  and name HN  ))
 ASSI { 5320}
   (  segid "    " and resid 103  and name HB% )
   (( segid "    " and resid 105  and name HN  ))
      4.900     3.000     1.100 peak  5320 spectrum    1 weight  0.10000E+01 volume  0.14943E-03 ppm1    109.616 ppm2      1.294 CV     1
 ASSI { 5321}
   (( segid "    " and resid 106  and name HG1 ))
   (( segid "    " and resid 105  and name HN  ))
      4.500     2.600     1.500 peak  5321 spectrum    1 weight  0.10000E+01 volume  0.21857E-03 ppm1    109.616 ppm2      2.183 CV     1
 OR { 5321}
   (( segid "    " and resid 106  and name HG2 ))
   (( segid "    " and resid 105  and name HN  ))
 ASSI { 5324}
   (( segid "    " and resid 104  and name HB2 ))
   (( segid "    " and resid 105  and name HN  ))
      3.900     1.900     1.900 peak  5324 spectrum    1 weight  0.10000E+01 volume  0.61110E-03 ppm1    109.616 ppm2      1.917 CV     1
 OR { 5324}
   (( segid "    " and resid 104  and name HB1 ))
   (( segid "    " and resid 105  and name HN  ))
 ASSI { 5325}
   (( segid "    " and resid 105  and name HA1 ))
   (( segid "    " and resid 105  and name HN  ))
      2.700     0.900     0.900 peak  5325 spectrum    1 weight  0.10000E+01 volume  0.33766E-02 ppm1    109.616 ppm2      3.910 CV     1
 OR { 5325}
   (( segid "    " and resid 105  and name HA2 ))
   (( segid "    " and resid 105  and name HN  ))
 ASSI { 5330}
   (( segid "    " and resid 106  and name HB2 ))
   (( segid "    " and resid 106  and name HN  ))
      3.000     1.100     1.100 peak  5330 spectrum    1 weight  0.10000E+01 volume  0.23485E-02 ppm1    120.528 ppm2      1.937 CV     1
 OR { 5330}
   (( segid "    " and resid 106  and name HB1 ))
   (( segid "    " and resid 106  and name HN  ))
 ASSI { 5333}
   (( segid "    " and resid 104  and name HG1 ))
   (( segid "    " and resid 107  and name HN  ))
      4.800     2.800     1.200 peak  5333 spectrum    1 weight  0.10000E+01 volume  0.15612E-03 ppm1    120.620 ppm2      2.172 CV     1
 OR { 5333}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 107  and name HN  ))
 ASSI { 5338}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 107  and name HN  ))
      2.800     1.000     1.000 peak  5338 spectrum    1 weight  0.10000E+01 volume  0.24109E-02 ppm1    120.620 ppm2      4.167 CV     1
 ASSI { 5339}
   (( segid "    " and resid 106  and name HB2 ))
   (( segid "    " and resid 107  and name HN  ))
      3.600     1.600     1.600 peak  5339 spectrum    1 weight  0.10000E+01 volume  0.70926E-03 ppm1    120.620 ppm2      1.945 CV     1
 OR { 5339}
   (( segid "    " and resid 106  and name HB1 ))
   (( segid "    " and resid 107  and name HN  ))
 ASSI { 5340}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 107  and name HN  ))
      3.500     1.600     1.600 peak  5340 spectrum    1 weight  0.10000E+01 volume  0.66907E-03 ppm1    120.620 ppm2      4.492 CV     1
 ASSI { 5341}
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 107  and name HN  ))
      3.100     1.200     1.200 peak  5341 spectrum    1 weight  0.10000E+01 volume  0.18377E-02 ppm1    120.620 ppm2      2.613 CV     1
 OR { 5341}
   (( segid "    " and resid 107  and name HB1 ))
   (( segid "    " and resid 107  and name HN  ))
 ASSI { 5349}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 109  and name HN  ))
      2.600     0.800     0.800 peak  5349 spectrum    1 weight  0.10000E+01 volume  0.41483E-02 ppm1    122.739 ppm2      4.186 CV     1
 ASSI { 5352}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 109  and name HN  ))
      2.500     0.800     0.800 peak  5352 spectrum    1 weight  0.10000E+01 volume  0.37870E-02 ppm1    122.739 ppm2      4.120 CV     1
 ASSI { 5353}
   (( segid "    " and resid 109  and name HB2 ))
   (( segid "    " and resid 109  and name HN  ))
      2.800     1.000     1.000 peak  5353 spectrum    1 weight  0.10000E+01 volume  0.25425E-02 ppm1    122.739 ppm2      1.708 CV     1
 ASSI { 5358}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 110  and name HN  ))
      2.500     2.500     3.500 peak  5358 spectrum    1 weight  0.10000E+01 volume  0.63810E-02 ppm1    119.728 ppm2      4.120 CV     1
 ASSI { 5359}
   (( segid "    " and resid 109  and name HB2 ))
   (( segid "    " and resid 110  and name HN  ))
      2.300     0.600     0.600 peak  5359 spectrum    1 weight  0.10000E+01 volume  0.56783E-02 ppm1    119.728 ppm2      1.705 CV     1
 ASSI { 4703}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 45   and name HN  ))
      3.700     1.700     1.700 peak  4703 spectrum    1 weight  0.10000E+01 volume  0.39922E-03 ppm1    107.328 ppm2      3.112 CV     1
 OR { 4703}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 45   and name HN  ))
 ASSI { 5360}
   (( segid "    " and resid 109  and name HB1 ))
   (( segid "    " and resid 110  and name HN  ))
      3.300     1.300     1.300 peak  5360 spectrum    1 weight  0.10000E+01 volume  0.28258E-02 ppm1    119.728 ppm2      1.486 CV     1
 ASSI { 4704}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      2.800     1.000     1.000 peak  4704 spectrum    1 weight  0.10000E+01 volume  0.18310E-02 ppm1    107.328 ppm2      4.286 CV     1
 ASSI { 5361}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 110  and name HN  ))
      2.500     0.800     0.800 peak  5361 spectrum    1 weight  0.10000E+01 volume  0.48509E-02 ppm1    119.728 ppm2      4.257 CV     1
 ASSI { 4705}
   (( segid "    " and resid 45   and name HA1 ))
   (( segid "    " and resid 45   and name HN  ))
      3.100     1.200     1.200 peak  4705 spectrum    1 weight  0.10000E+01 volume  0.18288E-02 ppm1    107.328 ppm2      4.270 CV     1
 ASSI { 5362}
   (( segid "    " and resid 110  and name HB1 ))
   (( segid "    " and resid 110  and name HN  ))
      3.100     1.200     1.200 peak  5362 spectrum    1 weight  0.10000E+01 volume  0.20920E-02 ppm1    119.728 ppm2      2.451 CV     1
 ASSI { 4706}
   (( segid "    " and resid 45   and name HA2 ))
   (( segid "    " and resid 45   and name HN  ))
      3.400     1.400     1.400 peak  4706 spectrum    1 weight  0.10000E+01 volume  0.52411E-03 ppm1    107.328 ppm2      4.854 CV     1
 ASSI { 5363}
   (( segid "    " and resid 110  and name HD2 ))
   (( segid "    " and resid 110  and name HN  ))
      3.500     1.500     1.500 peak  5363 spectrum    1 weight  0.10000E+01 volume  0.13671E-02 ppm1    119.728 ppm2      2.046 CV     1
 OR { 5363}
   (( segid "    " and resid 110  and name HD1 ))
   (( segid "    " and resid 110  and name HN  ))
 ASSI { 4707}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      3.900     1.900     1.900 peak  4707 spectrum    1 weight  0.10000E+01 volume  0.34569E-03 ppm1    121.729 ppm2      3.879 CV     1
 ASSI { 5364}
   (( segid "    " and resid 108  and name HB1 ))
   (( segid "    " and resid 112  and name HN  ))
      6.000     4.900     0.000 peak  5364 spectrum    1 weight  0.10000E+01 volume  0.42375E-04 ppm1    119.141 ppm2      3.850 CV     1
 OR { 5364}
   (( segid "    " and resid 108  and name HB2 ))
   (( segid "    " and resid 112  and name HN  ))
 ASSI { 4708}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      3.200     1.300     1.300 peak  4708 spectrum    1 weight  0.10000E+01 volume  0.13248E-02 ppm1    121.729 ppm2      4.647 CV     1
 ASSI { 5365}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 112  and name HN  ))
      2.600     0.900     0.900 peak  5365 spectrum    1 weight  0.10000E+01 volume  0.40836E-02 ppm1    119.141 ppm2      3.980 CV     1
 ASSI { 5366}
   (( segid "    " and resid 111  and name HB2 ))
   (( segid "    " and resid 112  and name HN  ))
      3.100     1.200     1.200 peak  5366 spectrum    1 weight  0.10000E+01 volume  0.13181E-02 ppm1    119.141 ppm2      1.774 CV     1
 OR { 5366}
   (( segid "    " and resid 111  and name HB1 ))
   (( segid "    " and resid 112  and name HN  ))
 ASSI { 5367}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 112  and name HN  ))
      2.600     0.900     0.900 peak  5367 spectrum    1 weight  0.10000E+01 volume  0.25671E-02 ppm1    119.141 ppm2      4.247 CV     1
 ASSI { 5369}
   (( segid "    " and resid 112  and name HG1 ))
   (( segid "    " and resid 112  and name HN  ))
      3.300     1.400     1.400 peak  5369 spectrum    1 weight  0.10000E+01 volume  0.11129E-02 ppm1    119.141 ppm2      2.584 CV     1
 ASSI { 4711}
   (( segid "    " and resid 45   and name HA1 ))
   (( segid "    " and resid 46   and name HN  ))
      2.800     1.000     1.000 peak  4711 spectrum    1 weight  0.10000E+01 volume  0.19493E-02 ppm1    121.731 ppm2      4.274 CV     1
 ASSI { 4712}
   (( segid "    " and resid 45   and name HA2 ))
   (( segid "    " and resid 46   and name HN  ))
      3.000     1.100     1.100 peak  4712 spectrum    1 weight  0.10000E+01 volume  0.15500E-02 ppm1    121.727 ppm2      4.861 CV     1
 ASSI { 4713}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      4.700     2.700     1.300 peak  4713 spectrum    1 weight  0.10000E+01 volume  0.40368E-03 ppm1    121.729 ppm2      9.849 CV     1
 ASSI { 5370}
   (( segid "    " and resid 110  and name HB1 ))
   (( segid "    " and resid 112  and name HN  ))
      3.700     1.700     1.700 peak  5370 spectrum    1 weight  0.10000E+01 volume  0.12267E-02 ppm1    119.141 ppm2      2.480 CV     1
 ASSI { 4714}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      3.100     1.200     1.200 peak  4714 spectrum    1 weight  0.10000E+01 volume  0.11887E-02 ppm1    121.729 ppm2      4.080 CV     1
 ASSI { 4715}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HN  ))
      2.700     0.900     0.900 peak  4715 spectrum    1 weight  0.10000E+01 volume  0.34145E-02 ppm1    121.731 ppm2      1.862 CV     1
 OR { 4715}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 46   and name HN  ))
 ASSI { 5372}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 113  and name HN  ))
      2.600     2.600     3.400 peak  5372 spectrum    1 weight  0.10000E+01 volume  0.61110E-02 ppm1    120.015 ppm2      8.004 CV     1
 ASSI { 5373}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 113  and name HN  ))
      2.800     1.000     1.000 peak  5373 spectrum    1 weight  0.10000E+01 volume  0.23752E-02 ppm1    120.015 ppm2      4.249 CV     1
 ASSI { 4717}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      3.600     3.600     2.400 peak  4717 spectrum    1 weight  0.10000E+01 volume  0.26540E-03 ppm1    121.727 ppm2      8.442 CV     1
 ASSI { 5374}
   (( segid "    " and resid 112  and name HB2 ))
   (( segid "    " and resid 113  and name HN  ))
      2.600     0.800     0.800 peak  5374 spectrum    1 weight  0.10000E+01 volume  0.40056E-02 ppm1    120.015 ppm2      2.030 CV     1
 OR { 5374}
   (( segid "    " and resid 112  and name HB1 ))
   (( segid "    " and resid 113  and name HN  ))
 ASSI { 5376}
   (( segid "    " and resid 94   and name HG1 ))
   (( segid "    " and resid 91   and name HN  ))
      4.000     2.000     2.000 peak  5376 spectrum    1 weight  0.10000E+01 volume  0.12936E-03 ppm1    120.015 ppm2      2.294 CV     1
 OR { 5376}
   (( segid "    " and resid 94   and name HG2 ))
   (( segid "    " and resid 91   and name HN  ))
 ASSI { 4720}
   (  segid "    " and resid 23   and name HD1%)
   (( segid "    " and resid 48   and name HN  ))
      3.100     3.100     2.900 peak  4720 spectrum    1 weight  0.10000E+01 volume  0.62670E-03 ppm1    115.503 ppm2      0.787 CV     1
 OR { 4720}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 48   and name HN  ))
 ASSI { 4722}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 48   and name HN  ))
      4.500     2.500     1.500 peak  4722 spectrum    1 weight  0.10000E+01 volume  0.20296E-03 ppm1    115.505 ppm2      0.993 CV     1
 ASSI { 4724}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      4.300     2.300     1.700 peak  4724 spectrum    1 weight  0.10000E+01 volume  0.66685E-03 ppm1    115.505 ppm2      4.092 CV     1
 ASSI { 4725}
   (( segid "    " and resid 47   and name HA1 ))
   (( segid "    " and resid 48   and name HN  ))
      3.600     1.600     1.600 peak  4725 spectrum    1 weight  0.10000E+01 volume  0.88095E-03 ppm1    115.505 ppm2      3.782 CV     1
 ASSI { 5382}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 115  and name HN  ))
      2.600     2.600     3.400 peak  5382 spectrum    1 weight  0.10000E+01 volume  0.56404E-02 ppm1    119.942 ppm2      4.153 CV     1
 ASSI { 5383}
   (( segid "    " and resid 114  and name HB1 ))
   (( segid "    " and resid 115  and name HN  ))
      2.600     0.900     0.900 peak  5383 spectrum    1 weight  0.10000E+01 volume  0.32941E-02 ppm1    119.942 ppm2      1.552 CV     1
 OR { 5383}
   (( segid "    " and resid 114  and name HB2 ))
   (( segid "    " and resid 115  and name HN  ))
 ASSI { 4727}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      3.000     1.100     1.100 peak  4727 spectrum    1 weight  0.10000E+01 volume  0.19024E-02 ppm1    115.504 ppm2      3.642 CV     1
 ASSI { 5384}
   (( segid "    " and resid 115  and name HA  ))
   (( segid "    " and resid 115  and name HN  ))
      2.400     0.700     0.700 peak  5384 spectrum    1 weight  0.10000E+01 volume  0.65971E-02 ppm1    119.942 ppm2      4.131 CV     1
 ASSI { 4728}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HN  ))
      3.300     1.300     1.300 peak  4728 spectrum    1 weight  0.10000E+01 volume  0.96569E-03 ppm1    115.504 ppm2      3.430 CV     1
 OR { 4728}
   (( segid "    " and resid 48   and name HB1 ))
   (( segid "    " and resid 48   and name HN  ))
 ASSI { 5385}
   (( segid "    " and resid 115  and name HB2 ))
   (( segid "    " and resid 115  and name HN  ))
      2.500     0.800     0.800 peak  5385 spectrum    1 weight  0.10000E+01 volume  0.37402E-02 ppm1    119.942 ppm2      1.610 CV     1
 OR { 5385}
   (( segid "    " and resid 115  and name HB1 ))
   (( segid "    " and resid 115  and name HN  ))
 ASSI { 4729}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      2.900     1.000     1.000 peak  4729 spectrum    1 weight  0.10000E+01 volume  0.19604E-02 ppm1    115.505 ppm2      8.280 CV     1
 ASSI { 5386}
   (  segid "    " and resid 115  and name HE% )
   (( segid "    " and resid 115  and name HN  ))
      3.000     1.100     1.100 peak  5386 spectrum    1 weight  0.10000E+01 volume  0.78395E-02 ppm1    119.942 ppm2      1.753 CV     1
 ASSI { 5387}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 115  and name HN  ))
      2.400     0.700     0.700 peak  5387 spectrum    1 weight  0.10000E+01 volume  0.41349E-02 ppm1    119.942 ppm2      8.097 CV     1
 ASSI { 5389}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 116  and name HN  ))
      4.300     2.400     1.700 peak  5389 spectrum    1 weight  0.10000E+01 volume  0.12267E-03 ppm1    119.716 ppm2      4.223 CV     1
 ASSI { 4731}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 49   and name HN  ))
      3.200     3.200     2.800 peak  4731 spectrum    1 weight  0.10000E+01 volume  0.22838E-02 ppm1    117.957 ppm2      2.508 CV     1
 OR { 4731}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 49   and name HN  ))
 ASSI { 4734}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      2.900     1.100     1.100 peak  4734 spectrum    1 weight  0.10000E+01 volume  0.26139E-02 ppm1    117.958 ppm2      3.643 CV     1
 ASSI { 4735}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      2.800     1.000     1.000 peak  4735 spectrum    1 weight  0.10000E+01 volume  0.24332E-02 ppm1    117.957 ppm2      4.402 CV     1
 ASSI { 5391}
   (( segid "    " and resid 116  and name HB1 ))
   (( segid "    " and resid 116  and name HN  ))
      2.400     0.700     0.700 peak  5391 spectrum    1 weight  0.10000E+01 volume  0.54106E-02 ppm1    119.716 ppm2      1.988 CV     1
 OR { 5391}
   (( segid "    " and resid 116  and name HB2 ))
   (( segid "    " and resid 116  and name HN  ))
 ASSI { 4736}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HN  ))
      2.800     1.000     1.000 peak  4736 spectrum    1 weight  0.10000E+01 volume  0.24265E-02 ppm1    117.958 ppm2      1.410 CV     1
 OR { 4736}
   (( segid "    " and resid 49   and name HB1 ))
   (( segid "    " and resid 49   and name HN  ))
 ASSI { 4737}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      2.900     1.100     1.100 peak  4737 spectrum    1 weight  0.10000E+01 volume  0.17218E-02 ppm1    117.957 ppm2      7.955 CV     1
 ASSI { 4738}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      3.500     1.600     1.600 peak  4738 spectrum    1 weight  0.10000E+01 volume  0.11664E-02 ppm1    117.958 ppm2      8.026 CV     1
 ASSI { 5394}
   (  segid "    " and resid 115  and name HE% )
   (( segid "    " and resid 117  and name HN  ))
      2.800     2.800     3.200 peak  5394 spectrum    1 weight  0.10000E+01 volume  0.79665E-02 ppm1    120.367 ppm2      1.774 CV     1
 ASSI { 5396}
   (( segid "    " and resid 116  and name HB1 ))
   (( segid "    " and resid 117  and name HN  ))
      2.600     0.800     0.800 peak  5396 spectrum    1 weight  0.10000E+01 volume  0.34971E-02 ppm1    120.367 ppm2      1.987 CV     1
 OR { 5396}
   (( segid "    " and resid 116  and name HB2 ))
   (( segid "    " and resid 117  and name HN  ))
 ASSI { 4745}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      2.800     1.000     1.000 peak  4745 spectrum    1 weight  0.10000E+01 volume  0.22660E-02 ppm1    116.535 ppm2      3.778 CV     1
 ASSI { 4746}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 51   and name HN  ))
      3.100     1.200     1.200 peak  4746 spectrum    1 weight  0.10000E+01 volume  0.20251E-02 ppm1    116.537 ppm2      1.882 CV     1
 OR { 4746}
   (( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI { 4748}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HN  ))
      2.700     0.900     0.900 peak  4748 spectrum    1 weight  0.10000E+01 volume  0.28213E-02 ppm1    116.537 ppm2      2.539 CV     1
 OR { 4748}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI { 4749}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      3.400     3.400     2.600 peak  4749 spectrum    1 weight  0.10000E+01 volume  0.12623E-02 ppm1    116.540 ppm2      3.895 CV     1
 ASSI { 4751}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 51   and name HN  ))
      3.700     1.700     1.700 peak  4751 spectrum    1 weight  0.10000E+01 volume  0.99248E-03 ppm1    116.537 ppm2      1.483 CV     1
 ASSI { 4752}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 51   and name HN  ))
      2.900     1.100     1.100 peak  4752 spectrum    1 weight  0.10000E+01 volume  0.13025E-02 ppm1    116.537 ppm2      1.541 CV     1
 ASSI { 4753}
   (( segid "    " and resid 54   and name HD2 ))
   (( segid "    " and resid 51   and name HN  ))
      3.500     1.600     1.600 peak  4753 spectrum    1 weight  0.10000E+01 volume  0.95008E-03 ppm1    116.540 ppm2      1.600 CV     1
 OR { 4753}
   (( segid "    " and resid 54   and name HD1 ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI { 4754}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      2.700     0.900     0.900 peak  4754 spectrum    1 weight  0.10000E+01 volume  0.26228E-02 ppm1    126.041 ppm2      4.457 CV     1
 ASSI { 4755}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
      4.000     2.000     2.000 peak  4755 spectrum    1 weight  0.10000E+01 volume  0.50404E-03 ppm1    126.041 ppm2      2.540 CV     1
 OR { 4755}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
 ASSI { 4756}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      3.900     1.900     1.900 peak  4756 spectrum    1 weight  0.10000E+01 volume  0.10727E-02 ppm1    126.096 ppm2      8.025 CV     1
 ASSI { 4759}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 52   and name HN  ))
      5.600     3.900     0.400 peak  4759 spectrum    1 weight  0.10000E+01 volume  0.14274E-03 ppm1    126.041 ppm2      1.604 CV     1
 OR { 4759}
   (( segid "    " and resid 53   and name HD1 ))
   (( segid "    " and resid 52   and name HN  ))
 ASSI { 4761}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      3.000     1.100     1.100 peak  4761 spectrum    1 weight  0.10000E+01 volume  0.10727E-02 ppm1    126.041 ppm2      8.035 CV     1
 ASSI { 4762}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      3.500     1.500     1.500 peak  4762 spectrum    1 weight  0.10000E+01 volume  0.15367E-02 ppm1    118.873 ppm2      4.457 CV     1
 ASSI { 4763}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 53   and name HN  ))
      3.300     1.400     1.400 peak  4763 spectrum    1 weight  0.10000E+01 volume  0.12891E-02 ppm1    118.875 ppm2      2.553 CV     1
 OR { 4763}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
 ASSI { 4764}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      2.600     0.900     0.900 peak  4764 spectrum    1 weight  0.10000E+01 volume  0.31580E-02 ppm1    118.873 ppm2      3.899 CV     1
 ASSI { 4765}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
      2.200     0.600     0.600 peak  4765 spectrum    1 weight  0.10000E+01 volume  0.96752E-02 ppm1    118.874 ppm2      1.757 CV     1
 OR { 4765}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 53   and name HN  ))
 ASSI { 4768}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HN  ))
      2.300     0.700     0.700 peak  4768 spectrum    1 weight  0.10000E+01 volume  0.88878E-02 ppm1    118.873 ppm2      1.775 CV     1
 OR { 4768}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
 ASSI { 4769}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 53   and name HN  ))
      3.600     1.600     1.600 peak  4769 spectrum    1 weight  0.10000E+01 volume  0.25960E-02 ppm1    118.873 ppm2      1.605 CV     1
 OR { 4769}
   (( segid "    " and resid 53   and name HD1 ))
   (( segid "    " and resid 53   and name HN  ))
 ASSI { 4772}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      2.700     0.900     0.900 peak  4772 spectrum    1 weight  0.10000E+01 volume  0.23997E-02 ppm1    118.875 ppm2      7.600 CV     1
 ASSI { 4773}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HN  ))
      2.100     0.600     0.600 peak  4773 spectrum    1 weight  0.10000E+01 volume  0.40993E-02 ppm1    120.104 ppm2      1.545 CV     1
 ASSI { 4775}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 54   and name HN  ))
      3.200     1.300     1.300 peak  4775 spectrum    1 weight  0.10000E+01 volume  0.94338E-03 ppm1    120.103 ppm2      2.537 CV     1
 OR { 4775}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 54   and name HN  ))
 ASSI { 4777}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 54   and name HN  ))
      3.100     1.200     1.200 peak  4777 spectrum    1 weight  0.10000E+01 volume  0.27053E-02 ppm1    120.103 ppm2      1.771 CV     1
 OR { 4777}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 54   and name HN  ))
 ASSI { 4779}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      2.600     0.800     0.800 peak  4779 spectrum    1 weight  0.10000E+01 volume  0.18756E-02 ppm1    120.101 ppm2      3.770 CV     1
 ASSI { 4780}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HN  ))
      3.300     1.400     1.400 peak  4780 spectrum    1 weight  0.10000E+01 volume  0.25024E-02 ppm1    120.104 ppm2      1.483 CV     1
 ASSI { 4781}
   (( segid "    " and resid 54   and name HG1 ))
   (( segid "    " and resid 54   and name HN  ))
      3.900     1.900     1.900 peak  4781 spectrum    1 weight  0.10000E+01 volume  0.62670E-03 ppm1    120.104 ppm2      1.149 CV     1
 ASSI { 4782}
   (( segid "    " and resid 54   and name HG2 ))
   (( segid "    " and resid 54   and name HN  ))
      4.000     2.000     2.000 peak  4782 spectrum    1 weight  0.10000E+01 volume  0.11173E-02 ppm1    120.104 ppm2      1.283 CV     1
 ASSI { 4783}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      2.700     0.900     0.900 peak  4783 spectrum    1 weight  0.10000E+01 volume  0.19850E-02 ppm1    120.103 ppm2      7.893 CV     1
 ASSI { 4784}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 54   and name HN  ))
      4.500     2.500     1.500 peak  4784 spectrum    1 weight  0.10000E+01 volume  0.42152E-03 ppm1    120.103 ppm2      2.019 CV     1
 OR { 4784}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 54   and name HN  ))
 ASSI { 4786}
   (( segid "    " and resid 54   and name HG2 ))
   (( segid "    " and resid 55   and name HN  ))
      4.200     2.200     1.800 peak  4786 spectrum    1 weight  0.10000E+01 volume  0.86313E-03 ppm1    118.777 ppm2      1.294 CV     1
 ASSI { 4787}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 55   and name HN  ))
      3.500     1.500     1.500 peak  4787 spectrum    1 weight  0.10000E+01 volume  0.12044E-02 ppm1    118.777 ppm2      2.544 CV     1
 OR { 4787}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI { 4788}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      3.400     1.500     1.500 peak  4788 spectrum    1 weight  0.10000E+01 volume  0.16481E-02 ppm1    118.777 ppm2      3.907 CV     1
 ASSI { 4789}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      2.700     0.900     0.900 peak  4789 spectrum    1 weight  0.10000E+01 volume  0.25135E-02 ppm1    118.777 ppm2      3.764 CV     1
 ASSI { 4790}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 55   and name HN  ))
      2.500     0.800     0.800 peak  4790 spectrum    1 weight  0.10000E+01 volume  0.29663E-02 ppm1    118.777 ppm2      1.544 CV     1
 ASSI { 4793}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      2.800     1.000     1.000 peak  4793 spectrum    1 weight  0.10000E+01 volume  0.20162E-02 ppm1    118.777 ppm2      3.708 CV     1
 ASSI { 4794}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HN  ))
      2.500     0.800     0.800 peak  4794 spectrum    1 weight  0.10000E+01 volume  0.51073E-02 ppm1    118.777 ppm2      2.029 CV     1
 OR { 4794}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI { 4795}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 55   and name HN  ))
      2.700     0.900     0.900 peak  4795 spectrum    1 weight  0.10000E+01 volume  0.16615E-02 ppm1    118.777 ppm2      2.448 CV     1
 ASSI { 4797}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      4.400     2.400     1.600 peak  4797 spectrum    1 weight  0.10000E+01 volume  0.28770E-03 ppm1    118.777 ppm2      7.402 CV     1
 ASSI { 4798}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      3.200     1.300     1.300 peak  4798 spectrum    1 weight  0.10000E+01 volume  0.33945E-02 ppm1    118.777 ppm2      8.053 CV     1
 ASSI { 9357}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
      2.600     2.600     3.400 peak  9357 spectrum    1 weight  0.10000E+01 volume  0.22370E-02 ppm1    124.635 ppm2      2.635 CV     1
 ASSI { 9359}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 85   and name HN  ))
      3.300     1.300     1.300 peak  9359 spectrum    1 weight  0.10000E+01 volume  0.22370E-02 ppm1    115.523 ppm2      1.975 CV     1
 ASSI { 9360}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 93   and name HN  ))
      2.900     1.100     1.100 peak  9360 spectrum    1 weight  0.10000E+01 volume  0.22370E-02 ppm1    117.204 ppm2      4.080 CV     1
 ASSI { 9361}
   (  segid "    " and resid 92   and name HG2%)
   (( segid "    " and resid 93   and name HN  ))
      3.200     1.300     1.300 peak  9361 spectrum    1 weight  0.10000E+01 volume  0.22370E-02 ppm1    117.204 ppm2      0.895 CV     1
 ASSI { 9364}
   (  segid "    " and resid 7    and name HD% )
   (( segid "    " and resid 8    and name HN  ))
      3.100     1.200     1.200 peak  9364 spectrum    1 weight  0.10000E+01 volume  0.22370E-02 ppm1    123.696 ppm2      7.088 CV     1
 ASSI { 9366}
   (( segid "    " and resid 20   and name HA1 ))
   (( segid "    " and resid 22   and name HN  ))
      3.500     1.500     1.500 peak  9366 spectrum    1 weight  0.10000E+01 volume  0.22370E-02 ppm1    117.544 ppm2      3.542 CV     1
 ASSI { 9372}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      3.400     1.400     1.400 peak  9372 spectrum    1 weight  0.10000E+01 volume  0.22370E-02 ppm1    122.809 ppm2      4.514 CV     1
 ASSI { 9373}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 46   and name HN  ))
      3.200     3.200     2.800 peak  9373 spectrum    1 weight  0.10000E+01 volume  0.22370E-02 ppm1    121.732 ppm2      2.428 CV     1
 OR { 9373}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 46   and name HN  ))
 ASSI { 9374}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 51   and name HN  ))
      3.300     3.300     2.700 peak  9374 spectrum    1 weight  0.10000E+01 volume  0.22370E-02 ppm1    116.536 ppm2      2.062 CV     1
 ASSI { 9376}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 60   and name HN  ))
      3.000     1.200     1.200 peak  9376 spectrum    1 weight  0.10000E+01 volume  0.22370E-02 ppm1    111.664 ppm2      2.858 CV     1
 ASSI { 9379}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      4.800     2.900     1.200 peak  9379 spectrum    1 weight  0.10000E+01 volume  0.11821E-03 ppm1    121.221 ppm2      4.172 CV     1
 ASSI { 9380}
   (( segid "    " and resid 60   and name HA1 ))
   (( segid "    " and resid 61   and name HN  ))
      2.800     1.000     1.000 peak  9380 spectrum    1 weight  0.10000E+01 volume  0.22370E-02 ppm1    121.221 ppm2      4.034 CV     1
 ASSI { 9381}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      2.900     1.100     1.100 peak  9381 spectrum    1 weight  0.10000E+01 volume  0.22370E-02 ppm1    121.221 ppm2      3.857 CV     1
 ASSI { 9382}
   (( segid "    " and resid 60   and name HA2 ))
   (( segid "    " and resid 61   and name HN  ))
      3.000     1.100     1.100 peak  9382 spectrum    1 weight  0.10000E+01 volume  0.22370E-02 ppm1    121.221 ppm2      3.718 CV     1
 ASSI { 9384}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      3.400     3.400     2.600 peak  9384 spectrum    1 weight  0.10000E+01 volume  0.22370E-02 ppm1    115.285 ppm2      3.902 CV     1
 ASSI { 9387}
   (( segid "    " and resid 1    and name HB1 ))
   (( segid "    " and resid 79   and name HN  ))
      3.800     1.800     1.800 peak  9387 spectrum    1 weight  0.10000E+01 volume  0.22370E-02 ppm1    122.544 ppm2      1.914 CV     1
 ASSI { 5401}
   (( segid "    " and resid 117  and name HG  ))
   (( segid "    " and resid 117  and name HN  ))
      2.900     2.900     3.100 peak  5401 spectrum    1 weight  0.10000E+01 volume  0.91286E-02 ppm1    120.367 ppm2      1.676 CV     1
 ASSI { 5403}
   (  segid "    " and resid 117  and name HD1%)
   (( segid "    " and resid 118  and name HN  ))
      4.300     2.300     1.700 peak  5403 spectrum    1 weight  0.10000E+01 volume  0.36799E-03 ppm1    122.179 ppm2      0.784 CV     1
 ASSI { 5404}
   (( segid "    " and resid 117  and name HA  ))
   (( segid "    " and resid 118  and name HN  ))
      2.500     2.500     3.500 peak  5404 spectrum    1 weight  0.10000E+01 volume  0.56917E-02 ppm1    122.176 ppm2      4.120 CV     1
 ASSI { 5405}
   (( segid "    " and resid 117  and name HB2 ))
   (( segid "    " and resid 118  and name HN  ))
      2.500     0.800     0.800 peak  5405 spectrum    1 weight  0.10000E+01 volume  0.46345E-02 ppm1    122.179 ppm2      1.592 CV     1
 OR { 5405}
   (( segid "    " and resid 117  and name HB1 ))
   (( segid "    " and resid 118  and name HN  ))
 ASSI { 5415}
   (( segid "    " and resid 119  and name HG12))
   (( segid "    " and resid 119  and name HN  ))
      2.700     0.900     0.900 peak  5415 spectrum    1 weight  0.10000E+01 volume  0.27299E-02 ppm1    118.577 ppm2      1.486 CV     1
 OR { 5415}
   (( segid "    " and resid 119  and name HG11))
   (( segid "    " and resid 119  and name HN  ))
 ASSI { 5417}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      3.700     3.700     2.300 peak  5417 spectrum    1 weight  0.10000E+01 volume  0.10482E-02 ppm1    122.830 ppm2      8.186 CV     1
 ASSI { 5421}
   (( segid "    " and resid 120  and name HA  ))
   (( segid "    " and resid 120  and name HN  ))
      2.500     0.800     0.800 peak  5421 spectrum    1 weight  0.10000E+01 volume  0.37669E-02 ppm1    122.830 ppm2      4.157 CV     1
 ASSI { 5422}
   (( segid "    " and resid 120  and name HB2 ))
   (( segid "    " and resid 120  and name HN  ))
      2.400     0.700     0.700 peak  5422 spectrum    1 weight  0.10000E+01 volume  0.43825E-02 ppm1    122.830 ppm2      1.616 CV     1
 OR { 5422}
   (( segid "    " and resid 120  and name HB1 ))
   (( segid "    " and resid 120  and name HN  ))
 ASSI { 5423}
   (  segid "    " and resid 120  and name HD1%)
   (( segid "    " and resid 120  and name HN  ))
      4.100     2.100     1.900 peak  5423 spectrum    1 weight  0.10000E+01 volume  0.70698E-03 ppm1    122.830 ppm2      0.791 CV     1
 ASSI { 5427}
   (( segid "    " and resid 120  and name HB1 ))
   (( segid "    " and resid 121  and name HN  ))
      3.600     1.600     1.600 peak  5427 spectrum    1 weight  0.10000E+01 volume  0.10839E-02 ppm1    116.707 ppm2      1.618 CV     1
 OR { 5427}
   (( segid "    " and resid 120  and name HB2 ))
   (( segid "    " and resid 121  and name HN  ))
 ASSI { 5428}
   (  segid "    " and resid 120  and name HD1%)
   (( segid "    " and resid 121  and name HN  ))
      3.500     1.500     1.500 peak  5428 spectrum    1 weight  0.10000E+01 volume  0.14095E-02 ppm1    116.707 ppm2      0.790 CV     1
 ASSI { 5430}
   (( segid "    " and resid 121  and name HA  ))
   (( segid "    " and resid 121  and name HN  ))
      2.600     0.800     0.800 peak  5430 spectrum    1 weight  0.10000E+01 volume  0.37625E-02 ppm1    116.707 ppm2      4.628 CV     1
 ASSI { 5432}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 121  and name HN  ))
      4.300     2.400     1.700 peak  5432 spectrum    1 weight  0.10000E+01 volume  0.16727E-03 ppm1    116.707 ppm2      8.035 CV     1
 ASSI { 5437}
   (( segid "    " and resid 121  and name HD21))
   (( segid "    " and resid 121  and name HD22))
      1.800     0.400     0.400 peak  5437 spectrum    1 weight  0.10000E+01 volume  0.13203E-01 ppm1    111.655 ppm2      6.853 CV     1
 ASSI { 5441}
   (( segid "    " and resid 123  and name HA  ))
   (( segid "    " and resid 123  and name HN  ))
      4.300     2.300     1.700 peak  5441 spectrum    1 weight  0.10000E+01 volume  0.20964E-03 ppm1    112.859 ppm2      4.234 CV     1
 ASSI { 5444}
   (( segid "    " and resid 123  and name HA  ))
   (( segid "    " and resid 124  and name HN  ))
      3.200     1.300     1.300 peak  5444 spectrum    1 weight  0.10000E+01 volume  0.16169E-02 ppm1    122.063 ppm2      4.234 CV     1
 ASSI { 5445}
   (( segid "    " and resid 123  and name HB  ))
   (( segid "    " and resid 124  and name HN  ))
      2.600     0.800     0.800 peak  5445 spectrum    1 weight  0.10000E+01 volume  0.30510E-02 ppm1    122.063 ppm2      4.134 CV     1
 ASSI { 5451}
   (( segid "    " and resid 125  and name HB1 ))
   (( segid "    " and resid 125  and name HN  ))
      3.300     1.400     1.400 peak  5451 spectrum    1 weight  0.10000E+01 volume  0.93674E-03 ppm1    123.312 ppm2      1.620 CV     1
 OR { 5451}
   (( segid "    " and resid 125  and name HB2 ))
   (( segid "    " and resid 125  and name HN  ))
 ASSI { 5452}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 18   and name HN  ))
      4.900     3.000     1.100 peak  5452 spectrum    1 weight  0.10000E+01 volume  0.22972E-03 ppm1    124.145 ppm2      0.208 CV     1
 ASSI { 5454}
   (( segid "    " and resid 124  and name HB1 ))
   (( segid "    " and resid 127  and name HN  ))
      2.600     0.900     0.900 peak  5454 spectrum    1 weight  0.10000E+01 volume  0.25782E-02 ppm1    124.504 ppm2      2.814 CV     1
 ASSI { 5458}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 127  and name HN  ))
      3.400     1.500     1.500 peak  5458 spectrum    1 weight  0.10000E+01 volume  0.58656E-03 ppm1    124.581 ppm2      8.362 CV     1
 ASSI { 4802}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 56   and name HN  ))
      3.400     1.400     1.400 peak  4802 spectrum    1 weight  0.10000E+01 volume  0.19627E-02 ppm1    117.193 ppm2      1.761 CV     1
 OR { 4802}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 4803}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      3.000     1.100     1.100 peak  4803 spectrum    1 weight  0.10000E+01 volume  0.17218E-02 ppm1    117.193 ppm2      3.979 CV     1
 ASSI { 4804}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      2.900     1.100     1.100 peak  4804 spectrum    1 weight  0.10000E+01 volume  0.19158E-02 ppm1    117.191 ppm2      3.701 CV     1
 ASSI { 4805}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 56   and name HN  ))
      2.500     2.500     3.500 peak  4805 spectrum    1 weight  0.10000E+01 volume  0.10228E-01 ppm1    117.191 ppm2      2.027 CV     1
 OR { 4805}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 5461}
   (( segid "    " and resid 128  and name HB1 ))
   (( segid "    " and resid 128  and name HN  ))
      3.900     1.900     1.900 peak  5461 spectrum    1 weight  0.10000E+01 volume  0.33677E-03 ppm1    116.207 ppm2      2.707 CV     1
 OR { 5461}
   (( segid "    " and resid 128  and name HB2 ))
   (( segid "    " and resid 128  and name HN  ))
 ASSI { 4806}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      2.600     0.800     0.800 peak  4806 spectrum    1 weight  0.10000E+01 volume  0.28949E-02 ppm1    117.191 ppm2      7.897 CV     1
 ASSI { 4807}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      2.500     0.800     0.800 peak  4807 spectrum    1 weight  0.10000E+01 volume  0.49423E-02 ppm1    117.191 ppm2      3.818 CV     1
 ASSI { 5463}
   (( segid "    " and resid 128  and name HB1 ))
   (( segid "    " and resid 128  and name HD22))
      3.900     1.900     1.900 peak  5463 spectrum    1 weight  0.10000E+01 volume  0.14274E-02 ppm1    113.094 ppm2      2.671 CV     1
 ASSI { 4808}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HN  ))
      2.100     0.500     0.500 peak  4808 spectrum    1 weight  0.10000E+01 volume  0.90148E-02 ppm1    117.191 ppm2      2.048 CV     1
 ASSI { 5464}
   (( segid "    " and resid 128  and name HB2 ))
   (( segid "    " and resid 128  and name HD22))
      3.600     1.600     1.600 peak  5464 spectrum    1 weight  0.10000E+01 volume  0.22214E-02 ppm1    113.094 ppm2      2.749 CV     1
 ASSI { 4809}
   (( segid "    " and resid 56   and name HG1 ))
   (( segid "    " and resid 56   and name HN  ))
      2.400     0.700     0.700 peak  4809 spectrum    1 weight  0.10000E+01 volume  0.58232E-02 ppm1    117.191 ppm2      2.205 CV     1
 ASSI { 5465}
   (( segid "    " and resid 128  and name HD21))
   (( segid "    " and resid 128  and name HD22))
      1.800     0.400     0.400 peak  5465 spectrum    1 weight  0.10000E+01 volume  0.13473E-01 ppm1    113.094 ppm2      6.830 CV     1
 ASSI { 5467}
   (( segid "    " and resid 132  and name HA  ))
   (( segid "    " and resid 133  and name HN  ))
      3.500     1.600     1.600 peak  5467 spectrum    1 weight  0.10000E+01 volume  0.69137E-03 ppm1    123.102 ppm2      4.238 CV     1
 ASSI { 4810}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 56   and name HN  ))
      3.000     1.100     1.100 peak  4810 spectrum    1 weight  0.10000E+01 volume  0.26384E-02 ppm1    117.191 ppm2      2.317 CV     1
 ASSI { 4811}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      2.800     1.000     1.000 peak  4811 spectrum    1 weight  0.10000E+01 volume  0.18199E-02 ppm1    117.192 ppm2      7.473 CV     1
 ASSI { 4812}
   (( segid "    " and resid 58   and name HB1 ))
   (( segid "    " and resid 57   and name HN  ))
      4.300     2.300     1.700 peak  4812 spectrum    1 weight  0.10000E+01 volume  0.12044E-02 ppm1    116.082 ppm2      1.649 CV     1
 ASSI { 4813}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      2.900     1.000     1.000 peak  4813 spectrum    1 weight  0.10000E+01 volume  0.28904E-02 ppm1    116.082 ppm2      3.819 CV     1
 ASSI { 4814}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 57   and name HN  ))
      2.700     0.900     0.900 peak  4814 spectrum    1 weight  0.10000E+01 volume  0.63697E-02 ppm1    116.082 ppm2      1.952 CV     1
 ASSI { 5470}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 134  and name HN  ))
      2.500     0.800     0.800 peak  5470 spectrum    1 weight  0.10000E+01 volume  0.55668E-02 ppm1    120.383 ppm2      4.111 CV     1
 ASSI { 5471}
   (  segid "    " and resid 133  and name HB% )
   (( segid "    " and resid 134  and name HN  ))
      2.700     0.900     0.900 peak  5471 spectrum    1 weight  0.10000E+01 volume  0.56471E-02 ppm1    120.383 ppm2      1.739 CV     1
 ASSI { 5472}
   (( segid "    " and resid 133  and name HN  ))
   (( segid "    " and resid 134  and name HN  ))
      2.500     0.800     0.800 peak  5472 spectrum    1 weight  0.10000E+01 volume  0.42330E-02 ppm1    120.444 ppm2      8.136 CV     1
 ASSI { 5473}
   (( segid "    " and resid 134  and name HG  ))
   (( segid "    " and resid 134  and name HN  ))
      2.400     0.700     0.700 peak  5473 spectrum    1 weight  0.10000E+01 volume  0.56471E-02 ppm1    120.383 ppm2      1.732 CV     1
 ASSI { 4818}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 57   and name HN  ))
      2.300     0.700     0.700 peak  4818 spectrum    1 weight  0.10000E+01 volume  0.62938E-02 ppm1    116.082 ppm2      1.899 CV     1
 ASSI { 4819}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HN  ))
      2.800     1.000     1.000 peak  4819 spectrum    1 weight  0.10000E+01 volume  0.52545E-02 ppm1    116.082 ppm2      1.954 CV     1
 ASSI { 4821}
   (( segid "    " and resid 57   and name HG2 ))
   (( segid "    " and resid 57   and name HN  ))
      2.800     1.000     1.000 peak  4821 spectrum    1 weight  0.10000E+01 volume  0.23953E-02 ppm1    116.082 ppm2      2.384 CV     1
 ASSI { 4824}
   (( segid "    " and resid 53   and name HE1 ))
   (( segid "    " and resid 57   and name HE21))
      5.700     4.100     0.300 peak  4824 spectrum    1 weight  0.10000E+01 volume  0.86982E-04 ppm1    111.124 ppm2      2.870 CV     1
 OR { 4824}
   (( segid "    " and resid 53   and name HE2 ))
   (( segid "    " and resid 57   and name HE21))
 ASSI { 4825}
   (( segid "    " and resid 53   and name HE1 ))
   (( segid "    " and resid 57   and name HE22))
      6.000     6.000     0.000 peak  4825 spectrum    1 weight  0.10000E+01 volume  0.22303E-05 ppm1    111.124 ppm2      2.870 CV     1
 OR { 4825}
   (( segid "    " and resid 53   and name HE2 ))
   (( segid "    " and resid 57   and name HE22))
 ASSI { 4826}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 32   and name HE21))
      2.800     2.800     3.200 peak  4826 spectrum    1 weight  0.10000E+01 volume  0.11196E-02 ppm1    111.124 ppm2      2.379 CV     1
 OR { 4826}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 32   and name HE21))
 ASSI { 4827}
   (( segid "    " and resid 57   and name HG1 ))
   (( segid "    " and resid 57   and name HE21))
      3.100     1.200     1.200 peak  4827 spectrum    1 weight  0.10000E+01 volume  0.14675E-02 ppm1    111.124 ppm2      2.247 CV     1
 ASSI { 4830}
   (( segid "    " and resid 58   and name HB1 ))
   (( segid "    " and resid 57   and name HE21))
      4.700     2.800     1.300 peak  4830 spectrum    1 weight  0.10000E+01 volume  0.37915E-03 ppm1    111.124 ppm2      1.622 CV     1
 ASSI { 4831}
   (( segid "    " and resid 58   and name HB1 ))
   (( segid "    " and resid 57   and name HE22))
      5.700     4.000     0.300 peak  4831 spectrum    1 weight  0.10000E+01 volume  0.20519E-03 ppm1    111.124 ppm2      1.623 CV     1
 ASSI { 4835}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 58   and name HN  ))
      3.100     1.200     1.200 peak  4835 spectrum    1 weight  0.10000E+01 volume  0.23618E-02 ppm1    115.899 ppm2      1.899 CV     1
 ASSI { 4837}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      3.000     1.100     1.100 peak  4837 spectrum    1 weight  0.10000E+01 volume  0.13694E-02 ppm1    115.899 ppm2      4.187 CV     1
 ASSI { 4838}
   (( segid "    " and resid 58   and name HB1 ))
   (( segid "    " and resid 58   and name HN  ))
      3.100     1.200     1.200 peak  4838 spectrum    1 weight  0.10000E+01 volume  0.24957E-02 ppm1    115.899 ppm2      1.642 CV     1
 ASSI { 4839}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 58   and name HN  ))
      2.500     0.800     0.800 peak  4839 spectrum    1 weight  0.10000E+01 volume  0.26696E-02 ppm1    115.899 ppm2      1.734 CV     1
 ASSI { 4840}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 59   and name HN  ))
      4.200     2.300     1.800 peak  4840 spectrum    1 weight  0.10000E+01 volume  0.36576E-03 ppm1    119.632 ppm2      1.931 CV     1
 ASSI { 4842}
   (( segid "    " and resid 58   and name HB1 ))
   (( segid "    " and resid 59   and name HN  ))
      4.900     3.000     1.100 peak  4842 spectrum    1 weight  0.10000E+01 volume  0.12267E-03 ppm1    119.632 ppm2      1.641 CV     1
 ASSI { 4844}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      2.800     1.000     1.000 peak  4844 spectrum    1 weight  0.10000E+01 volume  0.20496E-02 ppm1    119.632 ppm2      3.832 CV     1
 ASSI { 4845}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 59   and name HN  ))
      2.400     0.700     0.700 peak  4845 spectrum    1 weight  0.10000E+01 volume  0.46613E-02 ppm1    119.632 ppm2      1.729 CV     1
 OR { 4845}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HN  ))
 ASSI { 4846}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 59   and name HN  ))
      5.000     3.100     1.000 peak  4846 spectrum    1 weight  0.10000E+01 volume  0.23418E-03 ppm1    119.634 ppm2      3.137 CV     1
 OR { 4846}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 59   and name HN  ))
 ASSI { 4849}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 24   and name HN  ))
      3.800     1.800     1.800 peak  4849 spectrum    1 weight  0.10000E+01 volume  0.82964E-03 ppm1    119.632 ppm2      0.954 CV     1
 OR { 4849}
   (  segid "    " and resid 19   and name HG1%)
   (( segid "    " and resid 24   and name HN  ))
 ASSI { 4850}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      2.400     0.700     0.700 peak  4850 spectrum    1 weight  0.10000E+01 volume  0.37268E-02 ppm1    111.670 ppm2      3.834 CV     1
 ASSI { 4851}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 60   and name HN  ))
      3.400     1.500     1.500 peak  4851 spectrum    1 weight  0.10000E+01 volume  0.93674E-03 ppm1    111.670 ppm2      1.726 CV     1
 OR { 4851}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 60   and name HN  ))
 ASSI { 4854}
   (( segid "    " and resid 60   and name HA1 ))
   (( segid "    " and resid 60   and name HN  ))
      3.300     1.300     1.300 peak  4854 spectrum    1 weight  0.10000E+01 volume  0.16905E-02 ppm1    111.670 ppm2      4.025 CV     1
 ASSI { 4855}
   (( segid "    " and resid 60   and name HA2 ))
   (( segid "    " and resid 60   and name HN  ))
      2.500     0.800     0.800 peak  4855 spectrum    1 weight  0.10000E+01 volume  0.34324E-02 ppm1    111.670 ppm2      3.734 CV     1
 ASSI { 4861}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
      3.100     1.200     1.200 peak  4861 spectrum    1 weight  0.10000E+01 volume  0.76050E-03 ppm1    115.285 ppm2      2.281 CV     1
 ASSI { 4862}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      2.300     0.700     0.700 peak  4862 spectrum    1 weight  0.10000E+01 volume  0.70521E-02 ppm1    115.285 ppm2      4.362 CV     1
 ASSI { 4864}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
      3.600     1.600     1.600 peak  4864 spectrum    1 weight  0.10000E+01 volume  0.64455E-03 ppm1    115.285 ppm2      3.009 CV     1
 ASSI { 4866}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      4.000     2.000     2.000 peak  4866 spectrum    1 weight  0.10000E+01 volume  0.34346E-03 ppm1    115.285 ppm2      9.435 CV     1
 ASSI { 4867}
   (( segid "    " and resid 54   and name HG1 ))
   (( segid "    " and resid 63   and name HD21))
      4.300     2.300     1.700 peak  4867 spectrum    1 weight  0.10000E+01 volume  0.31893E-03 ppm1    112.890 ppm2      1.139 CV     1
 ASSI { 4868}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 63   and name HD21))
      5.100     3.300     0.900 peak  4868 spectrum    1 weight  0.10000E+01 volume  0.12267E-03 ppm1    112.890 ppm2      2.285 CV     1
 ASSI { 4869}
   (( segid "    " and resid 63   and name HD22))
   (( segid "    " and resid 63   and name HD21))
      1.800     0.400     0.400 peak  4869 spectrum    1 weight  0.10000E+01 volume  0.12238E-01 ppm1    112.890 ppm2      7.249 CV     1
 ASSI { 4870}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 63   and name HD21))
      5.400     3.600     0.600 peak  4870 spectrum    1 weight  0.10000E+01 volume  0.75829E-04 ppm1    112.890 ppm2      8.317 CV     1
 ASSI { 4871}
   (( segid "    " and resid 54   and name HG1 ))
   (( segid "    " and resid 63   and name HD22))
      6.000     5.800     0.000 peak  4871 spectrum    1 weight  0.10000E+01 volume  0.13381E-04 ppm1    112.890 ppm2      1.177 CV     1
 ASSI { 4872}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 63   and name HD22))
      6.000     5.100     0.000 peak  4872 spectrum    1 weight  0.10000E+01 volume  0.91444E-04 ppm1    112.890 ppm2      1.808 CV     1
 ASSI { 4875}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HD22))
      5.600     4.000     0.400 peak  4875 spectrum    1 weight  0.10000E+01 volume  0.16281E-03 ppm1    112.890 ppm2      4.375 CV     1
 ASSI { 4876}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 63   and name HD21))
      3.600     1.600     1.600 peak  4876 spectrum    1 weight  0.10000E+01 volume  0.86755E-03 ppm1    112.890 ppm2      2.617 CV     1
 ASSI { 4879}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HD22))
      3.500     1.600     1.600 peak  4879 spectrum    1 weight  0.10000E+01 volume  0.16481E-02 ppm1    112.890 ppm2      3.009 CV     1
 ASSI { 4882}
   (( segid "    " and resid 64   and name HZ2 ))
   (( segid "    " and resid 64   and name HE1 ))
      2.800     1.000     1.000 peak  4882 spectrum    1 weight  0.10000E+01 volume  0.20652E-02 ppm1    128.575 ppm2      7.413 CV     1
 ASSI { 4884}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      3.600     1.600     1.600 peak  4884 spectrum    1 weight  0.10000E+01 volume  0.60217E-03 ppm1    124.956 ppm2      4.349 CV     1
 ASSI { 4886}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      3.600     1.600     1.600 peak  4886 spectrum    1 weight  0.10000E+01 volume  0.48620E-03 ppm1    124.950 ppm2      3.915 CV     1
 ASSI { 4887}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 65   and name HN  ))
      3.100     1.200     1.200 peak  4887 spectrum    1 weight  0.10000E+01 volume  0.91886E-03 ppm1    124.957 ppm2      2.022 CV     1
 OR { 4887}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HN  ))
 ASSI { 4888}
   (( segid "    " and resid 65   and name HG2 ))
   (( segid "    " and resid 65   and name HN  ))
      5.200     3.400     0.800 peak  4888 spectrum    1 weight  0.10000E+01 volume  0.21187E-03 ppm1    124.952 ppm2      2.502 CV     1
 ASSI { 4889}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      4.200     2.200     1.800 peak  4889 spectrum    1 weight  0.10000E+01 volume  0.34123E-03 ppm1    115.418 ppm2      4.353 CV     1
 ASSI { 4890}
   (( segid "    " and resid 44   and name HD1 ))
   (( segid "    " and resid 66   and name HN  ))
      3.900     1.900     1.900 peak  4890 spectrum    1 weight  0.10000E+01 volume  0.43936E-03 ppm1    115.416 ppm2      2.322 CV     1
 ASSI { 4893}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 66   and name HN  ))
      2.900     1.100     1.100 peak  4893 spectrum    1 weight  0.10000E+01 volume  0.16214E-02 ppm1    115.418 ppm2      2.023 CV     1
 OR { 4893}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 66   and name HN  ))
 ASSI { 4894}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      3.200     1.300     1.300 peak  4894 spectrum    1 weight  0.10000E+01 volume  0.76499E-03 ppm1    115.418 ppm2      9.436 CV     1
 ASSI { 4895}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      3.100     1.200     1.200 peak  4895 spectrum    1 weight  0.10000E+01 volume  0.12958E-02 ppm1    115.418 ppm2      4.532 CV     1
 ASSI { 4896}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HN  ))
      2.800     1.000     1.000 peak  4896 spectrum    1 weight  0.10000E+01 volume  0.23306E-02 ppm1    115.418 ppm2      3.117 CV     1
 OR { 4896}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 66   and name HN  ))
 ASSI { 4897}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      3.000     1.100     1.100 peak  4897 spectrum    1 weight  0.10000E+01 volume  0.12780E-02 ppm1    115.418 ppm2      7.253 CV     1
 ASSI { 4899}
   (( segid "    " and resid 101  and name HB1 ))
   (  segid "    " and resid 13   and name HD% )
      2.700     0.900     0.900 peak  4899 spectrum    1 weight  0.10000E+01 volume  0.18400E-02 ppm1    118.261 ppm2      0.828 CV     1
 ASSI { 9459}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 111  and name HN  ))
      2.800     1.000     1.000 peak  9459 spectrum    1 weight  0.10000E+01 volume  0.22392E-02 ppm1    119.117 ppm2      4.033 CV     1
 ASSI { 9463}
   (( segid "    " and resid 111  and name HB1 ))
   (( segid "    " and resid 111  and name HN  ))
      2.800     1.000     1.000 peak  9463 spectrum    1 weight  0.10000E+01 volume  0.22392E-02 ppm1    119.117 ppm2      1.784 CV     1
 OR { 9463}
   (( segid "    " and resid 111  and name HB2 ))
   (( segid "    " and resid 111  and name HN  ))
 ASSI { 9494}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      3.000     3.000     3.000 peak  9494 spectrum    1 weight  0.10000E+01 volume  0.22392E-02 ppm1    124.149 ppm2      7.467 CV     1
 ASSI { 9495}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      2.600     0.900     0.900 peak  9495 spectrum    1 weight  0.10000E+01 volume  0.22392E-02 ppm1    116.371 ppm2      2.040 CV     1
 ASSI { 9496}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      3.300     3.300     2.700 peak  9496 spectrum    1 weight  0.10000E+01 volume  0.22392E-02 ppm1    118.777 ppm2      3.832 CV     1
 ASSI { 9497}
   (  segid "    " and resid 71   and name HD2%)
   (( segid "    " and resid 72   and name HN  ))
      2.500     2.500     3.500 peak  9497 spectrum    1 weight  0.10000E+01 volume  0.22392E-02 ppm1    122.667 ppm2      0.761 CV     1
 ASSI { 9498}
   (( segid "    " and resid 45   and name HA1 ))
   (( segid "    " and resid 72   and name HN  ))
      2.900     2.900     3.100 peak  9498 spectrum    1 weight  0.10000E+01 volume  0.22392E-02 ppm1    122.680 ppm2      4.308 CV     1
 ASSI { 4900}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 44   and name HE  ))
      2.700     2.700     3.300 peak  4900 spectrum    1 weight  0.10000E+01 volume  0.14609E-02 ppm1    118.261 ppm2      0.953 CV     1
 ASSI { 4902}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 67   and name HN  ))
      4.100     2.100     1.900 peak  4902 spectrum    1 weight  0.10000E+01 volume  0.61779E-03 ppm1    118.261 ppm2      2.002 CV     1
 OR { 4902}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 67   and name HN  ))
 ASSI { 4903}
   (( segid "    " and resid 69   and name HG1 ))
   (( segid "    " and resid 67   and name HN  ))
      3.500     1.600     1.600 peak  4903 spectrum    1 weight  0.10000E+01 volume  0.28547E-03 ppm1    118.261 ppm2      2.341 CV     1
 OR { 4903}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 67   and name HN  ))
 ASSI { 4904}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 67   and name HN  ))
      4.800     2.900     1.200 peak  4904 spectrum    1 weight  0.10000E+01 volume  0.20964E-03 ppm1    118.261 ppm2      2.877 CV     1
 ASSI { 4905}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      4.800     2.900     1.200 peak  4905 spectrum    1 weight  0.10000E+01 volume  0.10036E-03 ppm1    118.261 ppm2      4.337 CV     1
 ASSI { 4906}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      3.900     1.900     1.900 peak  4906 spectrum    1 weight  0.10000E+01 volume  0.37022E-03 ppm1    118.261 ppm2      4.527 CV     1
 ASSI { 4908}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      2.900     1.100     1.100 peak  4908 spectrum    1 weight  0.10000E+01 volume  0.17865E-02 ppm1    118.261 ppm2      3.890 CV     1
 ASSI { 4909}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HN  ))
      2.800     1.000     1.000 peak  4909 spectrum    1 weight  0.10000E+01 volume  0.23663E-02 ppm1    118.261 ppm2      1.562 CV     1
 ASSI { 4911}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      2.700     0.900     0.900 peak  4911 spectrum    1 weight  0.10000E+01 volume  0.19136E-02 ppm1    118.274 ppm2      7.785 CV     1
 ASSI { 4914}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 68   and name HN  ))
      4.600     2.700     1.400 peak  4914 spectrum    1 weight  0.10000E+01 volume  0.22972E-03 ppm1    114.559 ppm2      3.138 CV     1
 OR { 4914}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 68   and name HN  ))
 ASSI { 4915}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      3.500     1.500     1.500 peak  4915 spectrum    1 weight  0.10000E+01 volume  0.64676E-03 ppm1    114.559 ppm2      4.529 CV     1
 ASSI { 4918}
   (( segid "    " and resid 69   and name HG1 ))
   (( segid "    " and resid 68   and name HN  ))
      3.700     1.700     1.700 peak  4918 spectrum    1 weight  0.10000E+01 volume  0.73377E-03 ppm1    114.559 ppm2      2.326 CV     1
 OR { 4918}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 68   and name HN  ))
 ASSI { 4919}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 68   and name HN  ))
      4.100     2.100     1.900 peak  4919 spectrum    1 weight  0.10000E+01 volume  0.68916E-03 ppm1    114.559 ppm2      2.443 CV     1
 OR { 4919}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 68   and name HN  ))
 ASSI { 4921}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 68   and name HN  ))
      4.000     2.000     2.000 peak  4921 spectrum    1 weight  0.10000E+01 volume  0.24533E-03 ppm1    114.559 ppm2      1.558 CV     1
 ASSI { 4922}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 68   and name HN  ))
      4.400     2.400     1.600 peak  4922 spectrum    1 weight  0.10000E+01 volume  0.37022E-03 ppm1    114.559 ppm2      1.839 CV     1
 ASSI { 4924}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      2.900     1.000     1.000 peak  4924 spectrum    1 weight  0.10000E+01 volume  0.19894E-02 ppm1    114.492 ppm2      4.706 CV     1
 ASSI { 4925}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 68   and name HN  ))
      3.100     1.200     1.200 peak  4925 spectrum    1 weight  0.10000E+01 volume  0.22682E-02 ppm1    114.559 ppm2      2.749 CV     1
 ASSI { 4926}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HN  ))
      3.000     1.100     1.100 peak  4926 spectrum    1 weight  0.10000E+01 volume  0.16682E-02 ppm1    114.559 ppm2      2.941 CV     1
 ASSI { 4927}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      2.700     0.900     0.900 peak  4927 spectrum    1 weight  0.10000E+01 volume  0.21901E-02 ppm1    114.561 ppm2      8.081 CV     1
 ASSI { 4928}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 68   and name HD21))
      4.200     2.200     1.800 peak  4928 spectrum    1 weight  0.10000E+01 volume  0.26763E-03 ppm1    113.286 ppm2      1.531 CV     1
 ASSI { 4929}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 68   and name HD21))
      5.100     3.300     0.900 peak  4929 spectrum    1 weight  0.10000E+01 volume  0.16504E-03 ppm1    113.286 ppm2      1.994 CV     1
 OR { 4929}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 68   and name HD21))
 ASSI { 4930}
   (( segid "    " and resid 69   and name HG1 ))
   (( segid "    " and resid 68   and name HD21))
      6.000     5.400     0.000 peak  4930 spectrum    1 weight  0.10000E+01 volume  0.17842E-04 ppm1    113.286 ppm2      2.326 CV     1
 OR { 4930}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 68   and name HD21))
 ASSI { 4931}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 68   and name HD21))
      4.000     2.000     2.000 peak  4931 spectrum    1 weight  0.10000E+01 volume  0.45498E-03 ppm1    113.286 ppm2      3.896 CV     1
 ASSI { 4932}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 68   and name HD22))
      4.500     2.500     1.500 peak  4932 spectrum    1 weight  0.10000E+01 volume  0.34569E-03 ppm1    113.286 ppm2      1.994 CV     1
 OR { 4932}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 68   and name HD22))
 ASSI { 4934}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 68   and name HD21))
      3.200     1.300     1.300 peak  4934 spectrum    1 weight  0.10000E+01 volume  0.12222E-02 ppm1    113.286 ppm2      2.751 CV     1
 ASSI { 4935}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 68   and name HD22))
      3.400     1.400     1.400 peak  4935 spectrum    1 weight  0.10000E+01 volume  0.23195E-02 ppm1    113.286 ppm2      2.753 CV     1
 ASSI { 4936}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HD21))
      3.100     1.200     1.200 peak  4936 spectrum    1 weight  0.10000E+01 volume  0.94787E-03 ppm1    113.286 ppm2      2.945 CV     1
 ASSI { 4937}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HD22))
      3.800     1.800     1.800 peak  4937 spectrum    1 weight  0.10000E+01 volume  0.11798E-02 ppm1    113.286 ppm2      2.947 CV     1
 ASSI { 4938}
   (( segid "    " and resid 68   and name HD21))
   (( segid "    " and resid 68   and name HD22))
      1.900     0.400     0.400 peak  4938 spectrum    1 weight  0.10000E+01 volume  0.95121E-02 ppm1    113.286 ppm2      7.008 CV     1
 ASSI { 4943}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      4.200     2.200     1.800 peak  4943 spectrum    1 weight  0.10000E+01 volume  0.26317E-03 ppm1    120.535 ppm2      9.001 CV     1
 ASSI { 4949}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HN  ))
      2.400     0.700     0.700 peak  4949 spectrum    1 weight  0.10000E+01 volume  0.66730E-02 ppm1    120.535 ppm2      2.425 CV     1
 OR { 4949}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 69   and name HN  ))
 ASSI { 4950}
   (( segid "    " and resid 69   and name HG1 ))
   (( segid "    " and resid 69   and name HN  ))
      2.400     0.700     0.700 peak  4950 spectrum    1 weight  0.10000E+01 volume  0.82117E-02 ppm1    120.535 ppm2      2.337 CV     1
 OR { 4950}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 69   and name HN  ))
 ASSI { 4952}
   (  segid "    " and resid 7    and name HE% )
   (( segid "    " and resid 70   and name HN  ))
      3.900     1.900     1.900 peak  4952 spectrum    1 weight  0.10000E+01 volume  0.39253E-03 ppm1    119.932 ppm2      6.637 CV     1
 ASSI { 4954}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      2.500     0.800     0.800 peak  4954 spectrum    1 weight  0.10000E+01 volume  0.59615E-02 ppm1    119.932 ppm2      4.529 CV     1
 ASSI { 4955}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 70   and name HN  ))
      2.300     0.600     0.600 peak  4955 spectrum    1 weight  0.10000E+01 volume  0.55801E-02 ppm1    119.930 ppm2      2.420 CV     1
 OR { 4955}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 70   and name HN  ))
 ASSI { 4956}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 70   and name HN  ))
      3.400     1.500     1.500 peak  4956 spectrum    1 weight  0.10000E+01 volume  0.46925E-02 ppm1    119.932 ppm2      2.337 CV     1
 OR { 4956}
   (( segid "    " and resid 69   and name HG1 ))
   (( segid "    " and resid 70   and name HN  ))
 ASSI { 4958}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      2.500     0.800     0.800 peak  4958 spectrum    1 weight  0.10000E+01 volume  0.40212E-02 ppm1    119.932 ppm2      4.661 CV     1
 ASSI { 4959}
   (( segid "    " and resid 70   and name HB1 ))
   (( segid "    " and resid 70   and name HN  ))
      2.700     0.900     0.900 peak  4959 spectrum    1 weight  0.10000E+01 volume  0.50850E-02 ppm1    119.932 ppm2      2.554 CV     1
 ASSI { 4960}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 70   and name HN  ))
      2.800     1.000     1.000 peak  4960 spectrum    1 weight  0.10000E+01 volume  0.17352E-02 ppm1    119.934 ppm2      3.042 CV     1
 ASSI { 4963}
   (  segid "    " and resid 84   and name HB% )
   (( segid "    " and resid 77   and name HN  ))
      2.600     2.600     3.400 peak  4963 spectrum    1 weight  0.10000E+01 volume  0.17753E-02 ppm1    123.115 ppm2      1.263 CV     1
 ASSI { 4964}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HN  ))
      2.400     0.700     0.700 peak  4964 spectrum    1 weight  0.10000E+01 volume  0.42732E-02 ppm1    123.115 ppm2      2.118 CV     1
 ASSI { 4965}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 71   and name HN  ))
      3.500     1.500     1.500 peak  4965 spectrum    1 weight  0.10000E+01 volume  0.12200E-02 ppm1    123.115 ppm2      1.866 CV     1
 OR { 4965}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 71   and name HN  ))
 ASSI { 4966}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      3.600     1.600     1.600 peak  4966 spectrum    1 weight  0.10000E+01 volume  0.53973E-03 ppm1    123.115 ppm2      9.018 CV     1
 ASSI { 4967}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 71   and name HN  ))
      2.300     0.700     0.700 peak  4967 spectrum    1 weight  0.10000E+01 volume  0.62826E-02 ppm1    123.115 ppm2      4.661 CV     1
 ASSI { 4968}
   (( segid "    " and resid 70   and name HB1 ))
   (( segid "    " and resid 71   and name HN  ))
      3.200     1.300     1.300 peak  4968 spectrum    1 weight  0.10000E+01 volume  0.14118E-02 ppm1    123.115 ppm2      2.534 CV     1
 ASSI { 4969}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 71   and name HN  ))
      3.800     1.800     1.800 peak  4969 spectrum    1 weight  0.10000E+01 volume  0.11173E-02 ppm1    123.115 ppm2      3.034 CV     1
 ASSI { 4972}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 71   and name HN  ))
      2.700     0.900     0.900 peak  4972 spectrum    1 weight  0.10000E+01 volume  0.30220E-02 ppm1    123.115 ppm2      1.697 CV     1
 ASSI { 4973}
   (  segid "    " and resid 71   and name HD1%)
   (( segid "    " and resid 71   and name HN  ))
      3.300     1.300     1.300 peak  4973 spectrum    1 weight  0.10000E+01 volume  0.19202E-02 ppm1    123.115 ppm2      0.608 CV     1
 ASSI { 4974}
   (  segid "    " and resid 71   and name HD2%)
   (( segid "    " and resid 71   and name HN  ))
      3.500     1.500     1.500 peak  4974 spectrum    1 weight  0.10000E+01 volume  0.17575E-02 ppm1    123.115 ppm2      0.762 CV     1
 ASSI { 4975}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      4.400     2.400     1.600 peak  4975 spectrum    1 weight  0.10000E+01 volume  0.45944E-03 ppm1    123.114 ppm2      9.087 CV     1
 ASSI { 4976}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 72   and name HN  ))
      2.600     2.600     3.400 peak  4976 spectrum    1 weight  0.10000E+01 volume  0.16035E-02 ppm1    122.667 ppm2      0.732 CV     1
 OR { 4976}
   (  segid "    " and resid 73   and name HG1%)
   (( segid "    " and resid 72   and name HN  ))
 ASSI { 4979}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HN  ))
      4.400     2.400     1.600 peak  4979 spectrum    1 weight  0.10000E+01 volume  0.28770E-03 ppm1    122.706 ppm2      2.605 CV     1
 ASSI { 4980}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      6.000     6.000     0.000 peak  4980 spectrum    1 weight  0.10000E+01 volume  0.15612E-04 ppm1    122.799 ppm2      8.897 CV     1
 ASSI { 4982}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      2.600     0.800     0.800 peak  4982 spectrum    1 weight  0.10000E+01 volume  0.30956E-02 ppm1    122.667 ppm2      4.600 CV     1
 ASSI { 4983}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 72   and name HN  ))
      4.400     2.400     1.600 peak  4983 spectrum    1 weight  0.10000E+01 volume  0.44605E-03 ppm1    122.667 ppm2      1.674 CV     1
 ASSI { 4984}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 72   and name HN  ))
      4.500     2.500     1.500 peak  4984 spectrum    1 weight  0.10000E+01 volume  0.53973E-03 ppm1    122.667 ppm2      2.121 CV     1
 ASSI { 4985}
   (  segid "    " and resid 71   and name HD1%)
   (( segid "    " and resid 72   and name HN  ))
      2.900     1.000     1.000 peak  4985 spectrum    1 weight  0.10000E+01 volume  0.26607E-02 ppm1    122.667 ppm2      0.607 CV     1
 ASSI { 4987}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      3.600     1.700     1.700 peak  4987 spectrum    1 weight  0.10000E+01 volume  0.39253E-03 ppm1    122.667 ppm2      5.119 CV     1
 ASSI { 4991}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 73   and name HN  ))
      4.000     2.000     2.000 peak  4991 spectrum    1 weight  0.10000E+01 volume  0.57095E-03 ppm1    118.098 ppm2      1.359 CV     1
 OR { 4991}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 73   and name HN  ))
 ASSI { 4992}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      4.700     2.700     1.300 peak  4992 spectrum    1 weight  0.10000E+01 volume  0.31447E-03 ppm1    118.098 ppm2      7.755 CV     1
 ASSI { 4993}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      2.700     0.900     0.900 peak  4993 spectrum    1 weight  0.10000E+01 volume  0.19381E-02 ppm1    118.200 ppm2      5.109 CV     1
 ASSI { 4994}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 73   and name HN  ))
      4.000     2.000     2.000 peak  4994 spectrum    1 weight  0.10000E+01 volume  0.11887E-02 ppm1    118.098 ppm2      2.043 CV     1
 ASSI { 4995}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 73   and name HN  ))
      2.900     1.100     1.100 peak  4995 spectrum    1 weight  0.10000E+01 volume  0.11553E-02 ppm1    118.098 ppm2      2.610 CV     1
 ASSI { 4998}
   (  segid "    " and resid 73   and name HG1%)
   (( segid "    " and resid 73   and name HN  ))
      2.600     0.800     0.800 peak  4998 spectrum    1 weight  0.10000E+01 volume  0.28703E-02 ppm1    118.162 ppm2      0.727 CV     1
 OR { 4998}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 73   and name HN  ))
 ASSI { 4999}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 74   and name HN  ))
      3.200     1.300     1.300 peak  4999 spectrum    1 weight  0.10000E+01 volume  0.36353E-02 ppm1    129.312 ppm2      0.718 CV     1
 OR { 4999}
   (  segid "    " and resid 73   and name HG1%)
   (( segid "    " and resid 74   and name HN  ))
 ASSI { 9500}
   (  segid "    " and resid 73   and name HG1%)
   (( segid "    " and resid 96   and name HN  ))
      3.000     3.000     3.000 peak  9500 spectrum    1 weight  0.10000E+01 volume  0.22392E-02 ppm1    118.694 ppm2      0.744 CV     1
 OR { 9500}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 96   and name HN  ))
 ASSI { 5800}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 41   and name HN  ))
      3.300     1.300     1.300 peak  5800 spectrum    1 weight  0.10000E+01 volume  0.29417E-02 ppm1    123.227 ppm2      1.552 CV     1
 ASSI { 5825}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      4.400     2.400     1.600 peak  5825 spectrum    1 weight  0.10000E+01 volume  0.77839E-03 ppm1    124.246 ppm2      4.333 CV     1
 ASSI { 5834}
   (( segid "    " and resid 44   and name HD2 ))
   (( segid "    " and resid 44   and name HE  ))
      3.700     1.700     1.700 peak  5834 spectrum    1 weight  0.10000E+01 volume  0.33454E-03 ppm1     83.413 ppm2      2.414 CV     1
 ASSI { 5835}
   (( segid "    " and resid 44   and name HG1 ))
   (( segid "    " and resid 44   and name HE  ))
      4.400     2.400     1.600 peak  5835 spectrum    1 weight  0.10000E+01 volume  0.26094E-03 ppm1     83.413 ppm2      0.524 CV     1
 ASSI { 5876}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 59   and name HE  ))
      4.100     2.100     1.900 peak  5876 spectrum    1 weight  0.10000E+01 volume  0.23641E-03 ppm1     84.078 ppm2      3.147 CV     1
 OR { 5876}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 59   and name HE  ))
 ASSI { 5892}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 41   and name HN  ))
      3.700     1.700     1.700 peak  5892 spectrum    1 weight  0.10000E+01 volume  0.16080E-02 ppm1    123.227 ppm2      1.660 CV     1
 ASSI { 5922}
   (( segid "    " and resid 99   and name HB1 ))
   (( segid "    " and resid 99   and name HN  ))
      2.900     1.100     1.100 peak  5922 spectrum    1 weight  0.10000E+01 volume  0.13604E-02 ppm1    115.468 ppm2      1.509 CV     1
 ASSI { 5977}
   (( segid "    " and resid 115  and name HA  ))
   (( segid "    " and resid 116  and name HN  ))
      2.700     0.900     0.900 peak  5977 spectrum    1 weight  0.10000E+01 volume  0.42687E-02 ppm1    119.716 ppm2      4.131 CV     1
 ASSI { 5995}
   (( segid "    " and resid 109  and name HB1 ))
   (( segid "    " and resid 109  and name HN  ))
      3.000     1.100     1.100 peak  5995 spectrum    1 weight  0.10000E+01 volume  0.32495E-02 ppm1    122.739 ppm2      1.486 CV     1
 ASSI { 7314}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 60   and name HN  ))
      3.500     1.500     1.500 peak  7314 spectrum    1 weight  0.10000E+01 volume  0.22370E-02 ppm1    115.640 ppm2      1.984 CV     1
 OR { 7314}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 60   and name HN  ))
 ASSI { 4124}
   (( segid "    " and resid 65   and name HG1 ))
   (( segid "    " and resid 68   and name HD22))
      2.900     2.900     3.100 peak  4124 spectrum    1 weight  0.10000E+01 volume  0.27611E-02 ppm1    111.658 ppm2      2.302 CV     1
 ASSI { 4136}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 114  and name HN  ))
      2.800     2.800     3.200 peak  4136 spectrum    1 weight  0.10000E+01 volume  0.38851E-02 ppm1    115.544 ppm2      8.013 CV     1
 ASSI { 4138}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 28   and name HN  ))
      2.200     2.200     3.800 peak  4138 spectrum    1 weight  0.10000E+01 volume  0.49534E-02 ppm1    116.498 ppm2      1.869 CV     1
 ASSI { 4141}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 124  and name HN  ))
      2.400     2.400     3.600 peak  4141 spectrum    1 weight  0.10000E+01 volume  0.11140E-01 ppm1    116.498 ppm2      8.026 CV     1
 ASSI { 4146}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      2.800     2.800     3.200 peak  4146 spectrum    1 weight  0.10000E+01 volume  0.54642E-02 ppm1    116.504 ppm2      1.843 CV     1
 ASSI { 4147}
   (( segid "    " and resid 131  and name HB2 ))
   (( segid "    " and resid 134  and name HN  ))
      3.300     1.400     1.400 peak  4147 spectrum    1 weight  0.10000E+01 volume  0.10348E-02 ppm1    116.504 ppm2      3.765 CV     1
 OR { 4147}
   (( segid "    " and resid 131  and name HB1 ))
   (( segid "    " and resid 134  and name HN  ))
 ASSI { 4355}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 44   and name HE  ))
      3.800     3.800     2.200 peak  4355 spectrum    1 weight  0.10000E+01 volume  0.55310E-03 ppm1    115.284 ppm2      7.065 CV     1
 ASSI { 4356}
   (  segid "    " and resid 10   and name HG2%)
   (( segid "    " and resid 13   and name HN  ))
      4.800     2.900     1.200 peak  4356 spectrum    1 weight  0.10000E+01 volume  0.18511E-03 ppm1    115.288 ppm2      1.055 CV     1
 OR { 4356}
   (  segid "    " and resid 10   and name HG1%)
   (( segid "    " and resid 13   and name HN  ))
 ASSI { 5035}
   (( segid "    " and resid 1    and name HB2 ))
   (( segid "    " and resid 77   and name HN  ))
      3.900     1.900     1.900 peak  5035 spectrum    1 weight  0.10000E+01 volume  0.53750E-03 ppm1    119.761 ppm2      1.917 CV     1
 OR { 5035}
   (( segid "    " and resid 1    and name HB1 ))
   (( segid "    " and resid 77   and name HN  ))
 OR { 5035}
   (( segid "    " and resid 1    and name HB1 ))
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 4409}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 18   and name HN  ))
      4.700     2.700     1.300 peak  4409 spectrum    1 weight  0.10000E+01 volume  0.28102E-03 ppm1    124.146 ppm2      0.586 CV     1
 ASSI { 4456}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 59   and name HN  ))
      2.900     2.900     3.100 peak  4456 spectrum    1 weight  0.10000E+01 volume  0.27366E-02 ppm1    104.594 ppm2      1.376 CV     1
 OR { 4456}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 59   and name HN  ))
 ASSI { 4544}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HE21))
      4.900     3.000     1.100 peak  4544 spectrum    1 weight  0.10000E+01 volume  0.14274E-03 ppm1    111.326 ppm2      4.098 CV     1
 ASSI { 4548}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HE22))
      4.800     2.900     1.200 peak  4548 spectrum    1 weight  0.10000E+01 volume  0.33231E-03 ppm1    111.326 ppm2      4.099 CV     1
 ASSI { 4576}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 84   and name HN  ))
      3.200     3.200     2.800 peak  4576 spectrum    1 weight  0.10000E+01 volume  0.26808E-02 ppm1    123.131 ppm2      2.561 CV     1
 ASSI { 4619}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 38   and name HN  ))
      6.000     5.300     0.000 peak  4619 spectrum    1 weight  0.10000E+01 volume  0.40145E-04 ppm1    108.890 ppm2      0.780 CV     1
 OR { 4619}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 38   and name HN  ))
 OR { 4619}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 38   and name HN  ))
 ASSI { 4679}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 43   and name HN  ))
      5.000     3.100     1.000 peak  4679 spectrum    1 weight  0.10000E+01 volume  0.12044E-03 ppm1    122.809 ppm2      0.847 CV     1
 ASSI { 5312}
   (( segid "    " and resid 105  and name HA2 ))
   (( segid "    " and resid 104  and name HN  ))
      4.200     2.200     1.800 peak  5312 spectrum    1 weight  0.10000E+01 volume  0.10036E-03 ppm1    120.037 ppm2      3.903 CV     1
 OR { 5312}
   (( segid "    " and resid 105  and name HA2 ))
   (( segid "    " and resid 104  and name HN  ))
 OR { 5312}
   (( segid "    " and resid 105  and name HA1 ))
   (( segid "    " and resid 104  and name HN  ))
 ASSI { 4743}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 123  and name HN  ))
      4.700     2.700     1.300 peak  4743 spectrum    1 weight  0.10000E+01 volume  0.14497E-03 ppm1    116.537 ppm2      8.231 CV     1
 ASSI { 9356}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 34   and name HN  ))
      3.300     1.300     1.300 peak  9356 spectrum    1 weight  0.10000E+01 volume  0.22370E-02 ppm1    121.283 ppm2      0.801 CV     1
 OR { 9356}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 34   and name HN  ))
 ASSI { 4901}
   (( segid "    " and resid 89   and name HG2 ))
   (( segid "    " and resid 86   and name HN  ))
      3.300     1.300     1.300 peak  4901 spectrum    1 weight  0.10000E+01 volume  0.20318E-02 ppm1    118.261 ppm2      1.370 CV     1
 OR { 4901}
   (( segid "    " and resid 89   and name HG1 ))
   (( segid "    " and resid 86   and name HN  ))
 ASSI { 5824}
   (( segid "    " and resid 126  and name HA  ))
   (( segid "    " and resid 129  and name HN  ))
      3.600     1.600     1.600 peak  5824 spectrum    1 weight  0.10000E+01 volume  0.80512E-03 ppm1    124.246 ppm2      4.403 CV     1
 ASSI { 6334}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      2.700     0.900     0.900 peak  6334 spectrum    1 weight  0.10000E+01 volume  0.16865E-02 ppm1      5.048 ppm2      8.496 CV     1
 ASSI { 6336}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 7    and name HE% )
      5.500     3.700     0.500 peak  6336 spectrum    1 weight  0.10000E+01 volume  0.12008E-03 ppm1      5.048 ppm2      6.616 CV     1
 ASSI { 6344}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 18   and name HB1 ))
      3.700     1.700     1.700 peak  6344 spectrum    1 weight  0.10000E+01 volume  0.43300E-03 ppm1      0.212 ppm2      2.831 CV     1
 ASSI { 6359}
   (( segid "    " and resid 44   and name HB1 ))
   (( segid "    " and resid 44   and name HD2 ))
      4.400     2.400     1.600 peak  6359 spectrum    1 weight  0.10000E+01 volume  0.26198E-03 ppm1      0.344 ppm2      2.411 CV     1
 ASSI { 6374}
   (  segid "    " and resid 13   and name HD% )
   (  segid "    " and resid 13   and name HE% )
      2.700     0.900     0.900 peak  6374 spectrum    1 weight  0.10000E+01 volume  0.17611E-02 ppm1      7.258 ppm2      6.747 CV     1
 ASSI { 7325}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      3.700     1.700     1.700 peak  7325 spectrum    1 weight  0.10000E+01 volume  0.10989E-02 ppm1      8.656 ppm2      8.075 CV     1
 ASSI { 7329}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      3.500     1.600     1.600 peak  7329 spectrum    1 weight  0.10000E+01 volume  0.14591E-02 ppm1      4.807 ppm2      8.042 CV     1
 ASSI { 6381}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
      2.700     0.900     0.900 peak  6381 spectrum    1 weight  0.10000E+01 volume  0.16792E-02 ppm1      3.114 ppm2      7.252 CV     1
 ASSI { 6382}
   (( segid "    " and resid 13   and name HB2 ))
   (  segid "    " and resid 13   and name HE% )
      4.100     2.200     1.900 peak  6382 spectrum    1 weight  0.10000E+01 volume  0.69864E-03 ppm1      3.114 ppm2      6.746 CV     1
 ASSI { 6383}
   (( segid "    " and resid 13   and name HB1 ))
   (  segid "    " and resid 13   and name HE% )
      3.800     1.800     1.800 peak  6383 spectrum    1 weight  0.10000E+01 volume  0.11953E-02 ppm1      2.971 ppm2      6.746 CV     1
 ASSI { 6384}
   (( segid "    " and resid 101  and name HG1 ))
   (  segid "    " and resid 13   and name HE% )
      4.500     2.500     1.500 peak  6384 spectrum    1 weight  0.10000E+01 volume  0.72771E-04 ppm1      0.313 ppm2      6.748 CV     1
 ASSI { 6385}
   (  segid "    " and resid 8    and name HG2%)
   (  segid "    " and resid 13   and name HE% )
      6.000     4.800     0.000 peak  6385 spectrum    1 weight  0.10000E+01 volume  0.38205E-04 ppm1      0.580 ppm2      6.745 CV     1
 ASSI { 6386}
   (  segid "    " and resid 10   and name HG2%)
   (  segid "    " and resid 13   and name HE% )
      4.400     2.400     1.600 peak  6386 spectrum    1 weight  0.10000E+01 volume  0.46756E-03 ppm1      1.050 ppm2      6.745 CV     1
 OR { 6386}
   (  segid "    " and resid 10   and name HG1%)
   (  segid "    " and resid 13   and name HE% )
 ASSI { 6387}
   (( segid "    " and resid 101  and name HG1 ))
   (  segid "    " and resid 13   and name HD% )
      4.200     2.200     1.800 peak  6387 spectrum    1 weight  0.10000E+01 volume  0.20922E-03 ppm1      0.316 ppm2      7.259 CV     1
 ASSI { 6389}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 13   and name HE% )
      6.000     6.000     0.000 peak  6389 spectrum    1 weight  0.10000E+01 volume  0.25470E-04 ppm1      8.465 ppm2      6.747 CV     1
 ASSI { 7330}
   (( segid "    " and resid 77   and name HB  ))
   (( segid "    " and resid 78   and name HN  ))
      3.400     1.500     1.500 peak  7330 spectrum    1 weight  0.10000E+01 volume  0.25707E-02 ppm1      2.295 ppm2      8.049 CV     1
 ASSI { 7331}
   (( segid "    " and resid 78   and name HG1 ))
   (( segid "    " and resid 78   and name HN  ))
      2.300     0.700     0.700 peak  7331 spectrum    1 weight  0.10000E+01 volume  0.64550E-02 ppm1      2.045 ppm2      8.047 CV     1
 OR { 7331}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 7335}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      4.400     2.400     1.600 peak  7335 spectrum    1 weight  0.10000E+01 volume  0.32565E-03 ppm1      8.048 ppm2      8.498 CV     1
 ASSI { 7339}
   (( segid "    " and resid 4    and name HG1 ))
   (( segid "    " and resid 5    and name HN  ))
      3.700     1.700     1.700 peak  7339 spectrum    1 weight  0.10000E+01 volume  0.20067E-02 ppm1      2.036 ppm2      8.492 CV     1
 ASSI { 6396}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      5.400     3.700     0.600 peak  6396 spectrum    1 weight  0.10000E+01 volume  0.72771E-04 ppm1      8.460 ppm2      7.253 CV     1
 ASSI { 6397}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      2.800     1.000     1.000 peak  6397 spectrum    1 weight  0.10000E+01 volume  0.13099E-02 ppm1      8.460 ppm2      8.292 CV     1
 ASSI { 6399}
   (  segid "    " and resid 16   and name HD% )
   (( segid "    " and resid 18   and name HZ  ))
      3.400     1.500     1.500 peak  6399 spectrum    1 weight  0.10000E+01 volume  0.77864E-03 ppm1      5.834 ppm2      6.996 CV     1
 ASSI { 7341}
   (( segid "    " and resid 6    and name HG  ))
   (( segid "    " and resid 5    and name HN  ))
      3.500     1.600     1.600 peak  7341 spectrum    1 weight  0.10000E+01 volume  0.83140E-03 ppm1      1.440 ppm2      8.491 CV     1
 ASSI { 7345}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 77   and name HN  ))
      3.500     1.600     1.600 peak  7345 spectrum    1 weight  0.10000E+01 volume  0.12772E-02 ppm1      0.922 ppm2      8.497 CV     1
 ASSI { 7346}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      3.800     1.800     1.800 peak  7346 spectrum    1 weight  0.10000E+01 volume  0.56581E-03 ppm1      8.875 ppm2      8.694 CV     1
 ASSI { 7348}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 76   and name HN  ))
      2.900     1.000     1.000 peak  7348 spectrum    1 weight  0.10000E+01 volume  0.28035E-02 ppm1      1.448 ppm2      8.699 CV     1
 ASSI { 7352}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      3.500     1.500     1.500 peak  7352 spectrum    1 weight  0.10000E+01 volume  0.92057E-03 ppm1      8.697 ppm2      8.834 CV     1
 ASSI { 8300}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 4    and name HG1 ))
      4.500     2.500     1.500 peak  8300 spectrum    1 weight  0.10000E+01 volume  0.17829E-03 ppm1      5.329 ppm2      2.030 CV     1
 ASSI { 8301}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 78   and name HG1 ))
      4.500     2.500     1.500 peak  8301 spectrum    1 weight  0.10000E+01 volume  0.24560E-03 ppm1      5.328 ppm2      2.055 CV     1
 OR { 8301}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 78   and name HG2 ))
 ASSI { 8302}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 4    and name HG2 ))
      3.400     3.400     2.600 peak  8302 spectrum    1 weight  0.10000E+01 volume  0.30382E-03 ppm1      5.329 ppm2      2.091 CV     1
 ASSI { 8304}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 42   and name HG1 ))
      4.800     2.800     1.200 peak  8304 spectrum    1 weight  0.10000E+01 volume  0.25288E-03 ppm1      5.329 ppm2      2.145 CV     1
 ASSI { 8307}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 4    and name HG1 ))
      3.200     3.200     2.800 peak  8307 spectrum    1 weight  0.10000E+01 volume  0.23578E-02 ppm1      5.053 ppm2      2.031 CV     1
 ASSI { 7360}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 73   and name HN  ))
      5.200     3.400     0.800 peak  7360 spectrum    1 weight  0.10000E+01 volume  0.63678E-04 ppm1      0.206 ppm2      8.915 CV     1
 ASSI { 8309}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 4    and name HG1 ))
      5.000     3.100     1.000 peak  8309 spectrum    1 weight  0.10000E+01 volume  0.39297E-03 ppm1      4.935 ppm2      2.032 CV     1
 ASSI { 7361}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      3.200     1.300     1.300 peak  7361 spectrum    1 weight  0.10000E+01 volume  0.62766E-03 ppm1      4.524 ppm2      8.918 CV     1
 ASSI { 7362}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 73   and name HN  ))
      3.100     1.200     1.200 peak  7362 spectrum    1 weight  0.10000E+01 volume  0.20340E-02 ppm1      1.779 ppm2      8.916 CV     1
 ASSI { 7363}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 73   and name HN  ))
      3.900     3.900     2.100 peak  7363 spectrum    1 weight  0.10000E+01 volume  0.94787E-03 ppm1      1.310 ppm2      8.919 CV     1
 ASSI { 6707}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 30   and name HN  ))
      2.800     1.000     1.000 peak  6707 spectrum    1 weight  0.10000E+01 volume  0.16210E-02 ppm1      1.160 ppm2      7.428 CV     1
 ASSI { 6709}
   (( segid "    " and resid 68   and name HD21))
   (( segid "    " and resid 68   and name HN  ))
      3.600     1.600     1.600 peak  6709 spectrum    1 weight  0.10000E+01 volume  0.25652E-03 ppm1      7.001 ppm2      7.769 CV     1
 ASSI { 7366}
   (  segid "    " and resid 71   and name HD1%)
   (( segid "    " and resid 73   and name HN  ))
      3.500     1.500     1.500 peak  7366 spectrum    1 weight  0.10000E+01 volume  0.96423E-03 ppm1      0.592 ppm2      8.916 CV     1
 ASSI { 7369}
   (( segid "    " and resid 45   and name HA1 ))
   (( segid "    " and resid 71   and name HN  ))
      2.600     2.600     3.400 peak  7369 spectrum    1 weight  0.10000E+01 volume  0.38042E-02 ppm1      4.282 ppm2      8.454 CV     1
 ASSI { 8312}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HB  ))
      4.700     2.800     1.300 peak  8312 spectrum    1 weight  0.10000E+01 volume  0.47302E-03 ppm1      4.960 ppm2      2.146 CV     1
 ASSI { 8314}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 42   and name HG1 ))
      4.000     2.000     2.000 peak  8314 spectrum    1 weight  0.10000E+01 volume  0.98426E-03 ppm1      5.053 ppm2      2.163 CV     1
 ASSI { 8315}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HG2 ))
      4.500     2.500     1.500 peak  8315 spectrum    1 weight  0.10000E+01 volume  0.25834E-03 ppm1      4.961 ppm2      2.252 CV     1
 ASSI { 6712}
   (  segid "    " and resid 124  and name HD% )
   (( segid "    " and resid 124  and name HN  ))
      3.700     1.700     1.700 peak  6712 spectrum    1 weight  0.10000E+01 volume  0.44209E-03 ppm1      6.979 ppm2      7.929 CV     1
 ASSI { 6713}
   (  segid "    " and resid 124  and name HD% )
   (( segid "    " and resid 125  and name HN  ))
      4.500     2.600     1.500 peak  6713 spectrum    1 weight  0.10000E+01 volume  0.24742E-03 ppm1      6.978 ppm2      7.892 CV     1
 ASSI { 8318}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 42   and name HG2 ))
      4.300     2.400     1.700 peak  8318 spectrum    1 weight  0.10000E+01 volume  0.50577E-03 ppm1      5.052 ppm2      2.403 CV     1
 ASSI { 6714}
   (( segid "    " and resid 64   and name HD1 ))
   (( segid "    " and resid 61   and name HN  ))
      3.300     1.400     1.400 peak  6714 spectrum    1 weight  0.10000E+01 volume  0.45846E-03 ppm1      7.004 ppm2      7.836 CV     1
 ASSI { 6716}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 107  and name HN  ))
      3.600     1.600     1.600 peak  6716 spectrum    1 weight  0.10000E+01 volume  0.60765E-03 ppm1      8.242 ppm2      8.424 CV     1
 ASSI { 6717}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 105  and name HN  ))
      3.200     1.300     1.300 peak  6717 spectrum    1 weight  0.10000E+01 volume  0.91330E-03 ppm1      8.241 ppm2      8.364 CV     1
 ASSI { 7379}
   (  segid "    " and resid 71   and name HD2%)
   (( segid "    " and resid 19   and name HN  ))
      2.700     0.900     0.900 peak  7379 spectrum    1 weight  0.10000E+01 volume  0.21596E-02 ppm1      0.740 ppm2      8.268 CV     1
 ASSI { 8320}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
      4.400     2.400     1.600 peak  8320 spectrum    1 weight  0.10000E+01 volume  0.13645E-03 ppm1      4.961 ppm2      2.598 CV     1
 ASSI { 8321}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 73   and name HB  ))
      3.400     3.400     2.600 peak  8321 spectrum    1 weight  0.10000E+01 volume  0.10752E-02 ppm1      5.053 ppm2      1.789 CV     1
 ASSI { 8322}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 73   and name HB  ))
      3.900     1.900     1.900 peak  8322 spectrum    1 weight  0.10000E+01 volume  0.30746E-03 ppm1      4.934 ppm2      1.787 CV     1
 ASSI { 8325}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 77   and name HB  ))
      3.400     1.400     1.400 peak  8325 spectrum    1 weight  0.10000E+01 volume  0.73321E-03 ppm1      4.805 ppm2      2.318 CV     1
 ASSI { 6721}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 121  and name HN  ))
      3.300     1.300     1.300 peak  6721 spectrum    1 weight  0.10000E+01 volume  0.16265E-02 ppm1      7.970 ppm2      8.239 CV     1
 ASSI { 7040}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 57   and name HE21))
      4.800     2.900     1.200 peak  7040 spectrum    1 weight  0.10000E+01 volume  0.15646E-03 ppm1      7.892 ppm2      6.706 CV     1
 ASSI { 8327}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
      4.100     2.100     1.900 peak  8327 spectrum    1 weight  0.10000E+01 volume  0.46756E-03 ppm1      4.958 ppm2      1.692 CV     1
 ASSI { 6723}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      3.600     1.600     1.600 peak  6723 spectrum    1 weight  0.10000E+01 volume  0.90420E-03 ppm1      7.867 ppm2      8.274 CV     1
 ASSI { 6725}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      3.600     1.600     1.600 peak  6725 spectrum    1 weight  0.10000E+01 volume  0.41662E-03 ppm1      7.837 ppm2      8.529 CV     1
 ASSI { 6727}
   (  segid "    " and resid 109  and name HD1%)
   (( segid "    " and resid 109  and name HN  ))
      3.100     1.200     1.200 peak  6727 spectrum    1 weight  0.10000E+01 volume  0.58255E-02 ppm1      0.783 ppm2      8.005 CV     1
 ASSI { 6728}
   (  segid "    " and resid 109  and name HD2%)
   (( segid "    " and resid 109  and name HN  ))
      2.600     0.900     0.900 peak  6728 spectrum    1 weight  0.10000E+01 volume  0.87798E-02 ppm1      0.818 ppm2      8.005 CV     1
 ASSI { 6729}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 109  and name HN  ))
      2.500     0.800     0.800 peak  6729 spectrum    1 weight  0.10000E+01 volume  0.31911E-02 ppm1      8.155 ppm2      8.007 CV     1
 ASSI { 7387}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 69   and name HN  ))
      3.900     1.900     1.900 peak  7387 spectrum    1 weight  0.10000E+01 volume  0.76954E-03 ppm1      2.744 ppm2      8.071 CV     1
 ASSI { 7388}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 69   and name HN  ))
      3.000     1.100     1.100 peak  7388 spectrum    1 weight  0.10000E+01 volume  0.17684E-02 ppm1      2.936 ppm2      8.071 CV     1
 ASSI { 8331}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HB2 ))
      3.000     1.100     1.100 peak  8331 spectrum    1 weight  0.10000E+01 volume  0.57309E-03 ppm1      4.935 ppm2      1.622 CV     1
 ASSI { 8333}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 5    and name HB2 ))
      4.900     3.000     1.100 peak  8333 spectrum    1 weight  0.10000E+01 volume  0.41117E-03 ppm1      4.935 ppm2      1.310 CV     1
 ASSI { 8334}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 75   and name HB  ))
      4.600     2.600     1.400 peak  8334 spectrum    1 weight  0.10000E+01 volume  0.55853E-03 ppm1      4.933 ppm2      1.477 CV     1
 ASSI { 8335}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HG  ))
      3.500     1.500     1.500 peak  8335 spectrum    1 weight  0.10000E+01 volume  0.35295E-03 ppm1      4.934 ppm2      1.218 CV     1
 ASSI { 6731}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 116  and name HN  ))
      2.500     0.800     0.800 peak  6731 spectrum    1 weight  0.10000E+01 volume  0.26253E-02 ppm1      7.863 ppm2      8.095 CV     1
 ASSI { 8338}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 84   and name HB% )
      4.000     2.000     2.000 peak  8338 spectrum    1 weight  0.10000E+01 volume  0.65131E-03 ppm1      4.807 ppm2      1.270 CV     1
 ASSI { 7392}
   (( segid "    " and resid 68   and name HD22))
   (( segid "    " and resid 68   and name HN  ))
      3.800     1.800     1.800 peak  7392 spectrum    1 weight  0.10000E+01 volume  0.91690E-03 ppm1      7.616 ppm2      7.772 CV     1
 ASSI { 6736}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HD2 ))
      3.000     1.100     1.100 peak  6736 spectrum    1 weight  0.10000E+01 volume  0.12881E-02 ppm1      7.242 ppm2      7.091 CV     1
 ASSI { 6739}
   (  segid "    " and resid 13   and name HE% )
   (( segid "    " and resid 12   and name HN  ))
      4.600     2.700     1.400 peak  6739 spectrum    1 weight  0.10000E+01 volume  0.47302E-04 ppm1      6.746 ppm2      7.781 CV     1
 ASSI { 8341}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 75   and name HB  ))
      3.300     3.300     2.700 peak  8341 spectrum    1 weight  0.10000E+01 volume  0.12645E-02 ppm1      4.805 ppm2      1.456 CV     1
 ASSI { 8343}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
      3.800     1.800     1.800 peak  8343 spectrum    1 weight  0.10000E+01 volume  0.15646E-02 ppm1      4.806 ppm2      1.657 CV     1
 ASSI { 6741}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      4.900     2.900     1.100 peak  6741 spectrum    1 weight  0.10000E+01 volume  0.22196E-03 ppm1      5.022 ppm2      7.780 CV     1
 ASSI { 6742}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      3.900     1.900     1.900 peak  6742 spectrum    1 weight  0.10000E+01 volume  0.54579E-03 ppm1      5.021 ppm2      7.461 CV     1
 ASSI { 6749}
   (( segid "    " and resid 68   and name HD21))
   (( segid "    " and resid 64   and name HN  ))
      3.100     3.100     2.900 peak  6749 spectrum    1 weight  0.10000E+01 volume  0.54943E-03 ppm1      6.999 ppm2      8.040 CV     1
 ASSI { 8350}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB1 ))
      3.100     1.200     1.200 peak  8350 spectrum    1 weight  0.10000E+01 volume  0.92783E-03 ppm1      4.805 ppm2      2.471 CV     1
 OR { 8350}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
 ASSI { 8351}
   (( segid "    " and resid 45   and name HA2 ))
   (( segid "    " and resid 46   and name HE2 ))
      3.100     1.200     1.200 peak  8351 spectrum    1 weight  0.10000E+01 volume  0.18229E-02 ppm1      4.804 ppm2      2.903 CV     1
 OR { 8351}
   (( segid "    " and resid 45   and name HA2 ))
   (( segid "    " and resid 46   and name HE1 ))
 ASSI { 8354}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 38   and name HA2 ))
      3.400     1.400     1.400 peak  8354 spectrum    1 weight  0.10000E+01 volume  0.88234E-03 ppm1      4.803 ppm2      4.077 CV     1
 ASSI { 6750}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      4.300     2.300     1.700 peak  6750 spectrum    1 weight  0.10000E+01 volume  0.35113E-03 ppm1      7.240 ppm2      8.071 CV     1
 ASSI { 8355}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 34   and name HA  ))
      4.800     2.900     1.200 peak  8355 spectrum    1 weight  0.10000E+01 volume  0.83690E-04 ppm1      4.803 ppm2      4.124 CV     1
 ASSI { 6751}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      3.300     1.300     1.300 peak  6751 spectrum    1 weight  0.10000E+01 volume  0.10406E-02 ppm1      7.392 ppm2      7.835 CV     1
 ASSI { 8356}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 37   and name HB  ))
      3.500     3.500     2.500 peak  8356 spectrum    1 weight  0.10000E+01 volume  0.13372E-02 ppm1      4.803 ppm2      4.235 CV     1
 ASSI { 8358}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 41   and name HB  ))
      4.200     2.200     1.800 peak  8358 spectrum    1 weight  0.10000E+01 volume  0.63130E-03 ppm1      4.933 ppm2      1.560 CV     1
 ASSI { 8359}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
      4.100     2.100     1.900 peak  8359 spectrum    1 weight  0.10000E+01 volume  0.71501E-03 ppm1      4.958 ppm2      1.843 CV     1
 ASSI { 6756}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      3.100     1.200     1.200 peak  6756 spectrum    1 weight  0.10000E+01 volume  0.14227E-02 ppm1      4.385 ppm2      7.833 CV     1
 ASSI { 6757}
   (( segid "    " and resid 62   and name HD2 ))
   (( segid "    " and resid 61   and name HN  ))
      4.400     2.400     1.600 peak  6757 spectrum    1 weight  0.10000E+01 volume  0.63130E-03 ppm1      3.588 ppm2      7.836 CV     1
 OR { 6757}
   (( segid "    " and resid 62   and name HD1 ))
   (( segid "    " and resid 61   and name HN  ))
 ASSI { 6758}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 119  and name HN  ))
      2.500     0.800     0.800 peak  6758 spectrum    1 weight  0.10000E+01 volume  0.39061E-02 ppm1      3.880 ppm2      7.837 CV     1
 ASSI { 6759}
   (( segid "    " and resid 119  and name HB  ))
   (( segid "    " and resid 119  and name HN  ))
      2.800     1.000     1.000 peak  6759 spectrum    1 weight  0.10000E+01 volume  0.33548E-02 ppm1      1.813 ppm2      7.835 CV     1
 ASSI { 7700}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 33   and name HN  ))
      4.000     2.000     2.000 peak  7700 spectrum    1 weight  0.10000E+01 volume  0.10661E-02 ppm1      1.108 ppm2      7.966 CV     1
 ASSI { 7701}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 22   and name HN  ))
      3.500     1.500     1.500 peak  7701 spectrum    1 weight  0.10000E+01 volume  0.12935E-02 ppm1      0.979 ppm2      7.967 CV     1
 ASSI { 8364}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 8    and name HA  ))
      4.200     2.200     1.800 peak  8364 spectrum    1 weight  0.10000E+01 volume  0.26562E-03 ppm1      4.958 ppm2      3.913 CV     1
 ASSI { 6760}
   (  segid "    " and resid 119  and name HG2%)
   (( segid "    " and resid 119  and name HN  ))
      2.800     1.000     1.000 peak  6760 spectrum    1 weight  0.10000E+01 volume  0.25252E-02 ppm1      0.966 ppm2      7.833 CV     1
 ASSI { 8366}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HA  ))
      4.200     2.200     1.800 peak  8366 spectrum    1 weight  0.10000E+01 volume  0.49668E-03 ppm1      4.957 ppm2      3.950 CV     1
 ASSI { 8367}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 10   and name HA  ))
      4.000     2.000     2.000 peak  8367 spectrum    1 weight  0.10000E+01 volume  0.70407E-03 ppm1      5.018 ppm2      3.932 CV     1
 ASSI { 6763}
   (  segid "    " and resid 123  and name HG2%)
   (( segid "    " and resid 123  and name HN  ))
      3.800     1.800     1.800 peak  6763 spectrum    1 weight  0.10000E+01 volume  0.12008E-02 ppm1      1.009 ppm2      8.047 CV     1
 ASSI { 6764}
   (  segid "    " and resid 123  and name HG2%)
   (( segid "    " and resid 124  and name HN  ))
      3.300     1.400     1.400 peak  6764 spectrum    1 weight  0.10000E+01 volume  0.16392E-02 ppm1      1.009 ppm2      7.928 CV     1
 ASSI { 6765}
   (  segid "    " and resid 119  and name HD1%)
   (( segid "    " and resid 119  and name HN  ))
      3.200     1.200     1.200 peak  6765 spectrum    1 weight  0.10000E+01 volume  0.18393E-02 ppm1      0.686 ppm2      7.835 CV     1
 ASSI { 7711}
   (( segid "    " and resid 1    and name HG2 ))
   (( segid "    " and resid 1    and name HE22))
      3.400     1.400     1.400 peak  7711 spectrum    1 weight  0.10000E+01 volume  0.23014E-02 ppm1      2.190 ppm2      7.422 CV     1
 ASSI { 8373}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 76   and name HB  ))
      3.900     1.900     1.900 peak  8373 spectrum    1 weight  0.10000E+01 volume  0.10461E-02 ppm1      5.050 ppm2      3.978 CV     1
 ASSI { 6770}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      4.300     2.300     1.700 peak  6770 spectrum    1 weight  0.10000E+01 volume  0.46392E-03 ppm1      3.114 ppm2      7.778 CV     1
 ASSI { 8376}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 43   and name HA  ))
      4.500     2.500     1.500 peak  8376 spectrum    1 weight  0.10000E+01 volume  0.24197E-03 ppm1      5.101 ppm2      4.352 CV     1
 ASSI { 8377}
   (( segid "    " and resid 45   and name HA2 ))
   (( segid "    " and resid 69   and name HB2 ))
      3.100     1.200     1.200 peak  8377 spectrum    1 weight  0.10000E+01 volume  0.98243E-03 ppm1      4.804 ppm2      2.435 CV     1
 OR { 8377}
   (( segid "    " and resid 45   and name HA2 ))
   (( segid "    " and resid 69   and name HB1 ))
 ASSI { 6774}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 91   and name HN  ))
      4.700     2.800     1.300 peak  6774 spectrum    1 weight  0.10000E+01 volume  0.25834E-03 ppm1      3.216 ppm2      8.136 CV     1
 ASSI { 6775}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 94   and name HN  ))
      3.900     1.900     1.900 peak  6775 spectrum    1 weight  0.10000E+01 volume  0.34749E-03 ppm1      3.214 ppm2      7.904 CV     1
 ASSI { 9327}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 13   and name HN  ))
      3.100     1.200     1.200 peak  9327 spectrum    1 weight  0.10000E+01 volume  0.88967E-03 ppm1      7.252 ppm2      3.126 CV     1
 ASSI { 8383}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 69   and name HG1 ))
      2.600     2.600     3.400 peak  8383 spectrum    1 weight  0.10000E+01 volume  0.14973E-02 ppm1      4.630 ppm2      2.322 CV     1
 OR { 8383}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 69   and name HG2 ))
 ASSI { 7728}
   (( segid "    " and resid 19   and name HB  ))
   (( segid "    " and resid 20   and name HN  ))
      2.600     0.800     0.800 peak  7728 spectrum    1 weight  0.10000E+01 volume  0.30437E-02 ppm1      1.954 ppm2      7.577 CV     1
 ASSI { 8386}
   (( segid "    " and resid 128  and name HA  ))
   (( segid "    " and resid 128  and name HB1 ))
      2.500     0.800     0.800 peak  8386 spectrum    1 weight  0.10000E+01 volume  0.57072E-02 ppm1      4.539 ppm2      2.655 CV     1
 ASSI { 6782}
   (( segid "    " and resid 21   and name HD2 ))
   (  segid "    " and resid 16   and name HE% )
      3.400     1.400     1.400 peak  6782 spectrum    1 weight  0.10000E+01 volume  0.78231E-03 ppm1      3.319 ppm2      6.800 CV     1
 ASSI { 8387}
   (( segid "    " and resid 128  and name HA  ))
   (( segid "    " and resid 128  and name HB2 ))
      2.700     0.900     0.900 peak  8387 spectrum    1 weight  0.10000E+01 volume  0.24378E-02 ppm1      4.537 ppm2      2.727 CV     1
 ASSI { 6783}
   (( segid "    " and resid 21   and name HD1 ))
   (  segid "    " and resid 16   and name HE% )
      3.500     1.600     1.600 peak  6783 spectrum    1 weight  0.10000E+01 volume  0.62038E-03 ppm1      3.239 ppm2      6.800 CV     1
 ASSI { 6784}
   (( segid "    " and resid 7    and name HB2 ))
   (  segid "    " and resid 7    and name HE% )
      4.800     2.900     1.200 peak  6784 spectrum    1 weight  0.10000E+01 volume  0.32565E-03 ppm1      3.003 ppm2      6.618 CV     1
 ASSI { 8389}
   (( segid "    " and resid 121  and name HA  ))
   (( segid "    " and resid 121  and name HB1 ))
      2.700     0.900     0.900 peak  8389 spectrum    1 weight  0.10000E+01 volume  0.30728E-02 ppm1      4.619 ppm2      2.780 CV     1
 OR { 8389}
   (( segid "    " and resid 121  and name HA  ))
   (( segid "    " and resid 121  and name HB2 ))
 ASSI { 6785}
   (( segid "    " and resid 7    and name HB1 ))
   (  segid "    " and resid 7    and name HE% )
      4.900     3.000     1.100 peak  6785 spectrum    1 weight  0.10000E+01 volume  0.32747E-03 ppm1      2.730 ppm2      6.615 CV     1
 ASSI { 6787}
   (( segid "    " and resid 69   and name HG2 ))
   (  segid "    " and resid 7    and name HE% )
      4.900     3.000     1.100 peak  6787 spectrum    1 weight  0.10000E+01 volume  0.16010E-03 ppm1      2.321 ppm2      6.615 CV     1
 OR { 6787}
   (( segid "    " and resid 69   and name HG1 ))
   (  segid "    " and resid 7    and name HE% )
 ASSI { 7736}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 18   and name HN  ))
      3.900     1.900     1.900 peak  7736 spectrum    1 weight  0.10000E+01 volume  0.88057E-03 ppm1      0.986 ppm2      8.169 CV     1
 ASSI { 7737}
   (  segid "    " and resid 71   and name HD2%)
   (( segid "    " and resid 18   and name HN  ))
      2.900     1.100     1.100 peak  7737 spectrum    1 weight  0.10000E+01 volume  0.22396E-02 ppm1      0.740 ppm2      8.169 CV     1
 ASSI { 8394}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HE1 ))
      5.700     4.000     0.300 peak  8394 spectrum    1 weight  0.10000E+01 volume  0.10006E-03 ppm1      4.495 ppm2      2.818 CV     1
 OR { 8394}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HE2 ))
 ASSI { 7738}
   (  segid "    " and resid 71   and name HD1%)
   (( segid "    " and resid 18   and name HN  ))
      4.200     2.200     1.800 peak  7738 spectrum    1 weight  0.10000E+01 volume  0.47848E-03 ppm1      0.590 ppm2      8.169 CV     1
 ASSI { 6794}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 3    and name HE21))
      4.900     3.000     1.100 peak  6794 spectrum    1 weight  0.10000E+01 volume  0.27290E-03 ppm1      1.043 ppm2      6.614 CV     1
 ASSI { 6799}
   (  segid "    " and resid 123  and name HG2%)
   (  segid "    " and resid 124  and name HE% )
      3.300     1.400     1.400 peak  6799 spectrum    1 weight  0.10000E+01 volume  0.98970E-03 ppm1      1.007 ppm2      6.701 CV     1
 ASSI { 7740}
   (( segid "    " and resid 17   and name HD22))
   (( segid "    " and resid 17   and name HN  ))
      3.400     1.400     1.400 peak  7740 spectrum    1 weight  0.10000E+01 volume  0.10370E-02 ppm1      7.553 ppm2      7.743 CV     1
 ASSI { 9345}
   (( segid "    " and resid 121  and name HD22))
   (( segid "    " and resid 121  and name HB1 ))
      3.700     1.700     1.700 peak  9345 spectrum    1 weight  0.10000E+01 volume  0.11352E-02 ppm1      7.469 ppm2      2.778 CV     1
 OR { 9345}
   (( segid "    " and resid 121  and name HD22))
   (( segid "    " and resid 121  and name HB2 ))
 ASSI { 7741}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 17   and name HD22))
      2.400     2.400     3.600 peak  7741 spectrum    1 weight  0.10000E+01 volume  0.26162E-02 ppm1      7.418 ppm2      7.543 CV     1
 ASSI { 7744}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HN  ))
      3.200     1.300     1.300 peak  7744 spectrum    1 weight  0.10000E+01 volume  0.86964E-03 ppm1      2.447 ppm2      7.743 CV     1
 ASSI { 6007}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 3    and name HA  ))
      3.600     1.600     1.600 peak  6007 spectrum    1 weight  0.10000E+01 volume  0.23469E-03 ppm1      0.611 ppm2      5.587 CV     1
 ASSI { 6008}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 3    and name HA  ))
      4.200     2.200     1.800 peak  6008 spectrum    1 weight  0.10000E+01 volume  0.54397E-03 ppm1      0.681 ppm2      5.585 CV     1
 ASSI { 7749}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HD22))
      3.900     1.900     1.900 peak  7749 spectrum    1 weight  0.10000E+01 volume  0.79324E-03 ppm1      2.612 ppm2      7.551 CV     1
 ASSI { 9351}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
      3.400     1.400     1.400 peak  9351 spectrum    1 weight  0.10000E+01 volume  0.11134E-02 ppm1      8.720 ppm2      7.906 CV     1
 ASSI { 6011}
   (( segid "    " and resid 2    and name HB1 ))
   (( segid "    " and resid 3    and name HA  ))
      5.100     3.300     0.900 peak  6011 spectrum    1 weight  0.10000E+01 volume  0.83690E-04 ppm1      1.454 ppm2      5.585 CV     1
 OR { 6011}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 3    and name HA  ))
 ASSI { 6013}
   (( segid "    " and resid 3    and name HB1 ))
   (( segid "    " and resid 3    and name HA  ))
      3.200     1.300     1.300 peak  6013 spectrum    1 weight  0.10000E+01 volume  0.33293E-03 ppm1      1.737 ppm2      5.585 CV     1
 ASSI { 6018}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 3    and name HA  ))
      6.000     4.500     0.000 peak  6018 spectrum    1 weight  0.10000E+01 volume  0.47302E-04 ppm1      4.678 ppm2      5.585 CV     1
 ASSI { 6019}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 3    and name HA  ))
      6.000     6.000     0.000 peak  6019 spectrum    1 weight  0.10000E+01 volume  0.14555E-04 ppm1      4.524 ppm2      5.585 CV     1
 ASSI { 7759}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      4.200     2.200     1.800 peak  7759 spectrum    1 weight  0.10000E+01 volume  0.44209E-03 ppm1      3.127 ppm2      8.541 CV     1
 ASSI { 6023}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      6.000     6.000     0.000 peak  6023 spectrum    1 weight  0.10000E+01 volume  0.72771E-05 ppm1      8.700 ppm2      5.585 CV     1
 ASSI { 7768}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 13   and name HD% )
      4.100     2.100     1.900 peak  7768 spectrum    1 weight  0.10000E+01 volume  0.80050E-03 ppm1      4.146 ppm2      7.256 CV     1
 ASSI { 6029}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 76   and name HA  ))
      3.500     1.500     1.500 peak  6029 spectrum    1 weight  0.10000E+01 volume  0.34021E-03 ppm1      5.586 ppm2      5.329 CV     1
 ASSI { 8711}
   (( segid "    " and resid 21   and name HD1 ))
   (  segid "    " and resid 102  and name HB% )
      4.300     2.400     1.700 peak  8711 spectrum    1 weight  0.10000E+01 volume  0.25288E-03 ppm1      3.233 ppm2      1.213 CV     1
 ASSI { 8712}
   (( segid "    " and resid 90   and name HD2 ))
   (  segid "    " and resid 37   and name HG2%)
      3.200     1.300     1.300 peak  8712 spectrum    1 weight  0.10000E+01 volume  0.96240E-03 ppm1      3.193 ppm2      1.106 CV     1
 OR { 8712}
   (( segid "    " and resid 90   and name HD1 ))
   (  segid "    " and resid 37   and name HG2%)
 ASSI { 8715}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 101  and name HB2 ))
      3.400     1.400     1.400 peak  8715 spectrum    1 weight  0.10000E+01 volume  0.13936E-02 ppm1      2.972 ppm2      1.049 CV     1
 ASSI { 6030}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 76   and name HA  ))
      5.100     3.200     0.900 peak  6030 spectrum    1 weight  0.10000E+01 volume  0.10370E-03 ppm1      5.055 ppm2      5.327 CV     1
 ASSI { 7770}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      2.800     0.900     0.900 peak  7770 spectrum    1 weight  0.10000E+01 volume  0.18484E-02 ppm1      3.925 ppm2      7.252 CV     1
 ASSI { 6031}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 76   and name HA  ))
      4.300     2.400     1.700 peak  6031 spectrum    1 weight  0.10000E+01 volume  0.32384E-03 ppm1      4.687 ppm2      5.329 CV     1
 ASSI { 7773}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 64   and name HZ3 ))
      3.600     3.600     2.400 peak  7773 spectrum    1 weight  0.10000E+01 volume  0.11935E-02 ppm1      2.610 ppm2      7.253 CV     1
 ASSI { 6034}
   (( segid "    " and resid 77   and name HB  ))
   (( segid "    " and resid 76   and name HA  ))
      6.000     6.000     0.000 peak  6034 spectrum    1 weight  0.10000E+01 volume  0.12735E-04 ppm1      2.311 ppm2      5.329 CV     1
 ASSI { 7774}
   (( segid "    " and resid 16   and name HB1 ))
   (  segid "    " and resid 13   and name HD% )
      3.500     1.500     1.500 peak  7774 spectrum    1 weight  0.10000E+01 volume  0.11971E-02 ppm1      2.394 ppm2      7.256 CV     1
 ASSI { 6035}
   (( segid "    " and resid 1    and name HG2 ))
   (( segid "    " and resid 76   and name HA  ))
      6.000     4.500     0.000 peak  6035 spectrum    1 weight  0.10000E+01 volume  0.80050E-04 ppm1      2.202 ppm2      5.328 CV     1
 ASSI { 7775}
   (( segid "    " and resid 9    and name HG2 ))
   (  segid "    " and resid 13   and name HD% )
      3.300     1.300     1.300 peak  7775 spectrum    1 weight  0.10000E+01 volume  0.77864E-03 ppm1      2.255 ppm2      7.255 CV     1
 ASSI { 6036}
   (( segid "    " and resid 3    and name HG2 ))
   (( segid "    " and resid 76   and name HA  ))
      4.300     2.300     1.700 peak  6036 spectrum    1 weight  0.10000E+01 volume  0.17465E-03 ppm1      2.118 ppm2      5.329 CV     1
 ASSI { 6038}
   (( segid "    " and resid 3    and name HG1 ))
   (( segid "    " and resid 76   and name HA  ))
      5.400     3.600     0.600 peak  6038 spectrum    1 weight  0.10000E+01 volume  0.20377E-03 ppm1      1.976 ppm2      5.329 CV     1
 ASSI { 8721}
   (( segid "    " and resid 92   and name HA  ))
   (  segid "    " and resid 99   and name HD2%)
      3.600     3.600     2.400 peak  8721 spectrum    1 weight  0.10000E+01 volume  0.10025E-02 ppm1      3.216 ppm2      0.682 CV     1
 ASSI { 8722}
   (( segid "    " and resid 92   and name HA  ))
   (  segid "    " and resid 75   and name HD1%)
      4.200     2.200     1.800 peak  8722 spectrum    1 weight  0.10000E+01 volume  0.65674E-03 ppm1      3.216 ppm2      0.610 CV     1
 ASSI { 7780}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 13   and name HD% )
      2.100     0.600     0.600 peak  7780 spectrum    1 weight  0.10000E+01 volume  0.57017E-02 ppm1      1.839 ppm2      7.252 CV     1
 ASSI { 6041}
   (( segid "    " and resid 3    and name HB1 ))
   (( segid "    " and resid 76   and name HA  ))
      4.300     2.300     1.700 peak  6041 spectrum    1 weight  0.10000E+01 volume  0.11826E-03 ppm1      1.734 ppm2      5.329 CV     1
 ASSI { 7781}
   (( segid "    " and resid 12   and name HB1 ))
   (  segid "    " and resid 13   and name HD% )
      2.900     1.100     1.100 peak  7781 spectrum    1 weight  0.10000E+01 volume  0.25307E-02 ppm1      1.414 ppm2      7.252 CV     1
 ASSI { 6043}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 76   and name HA  ))
      5.700     4.100     0.300 peak  6043 spectrum    1 weight  0.10000E+01 volume  0.60037E-04 ppm1      1.451 ppm2      5.330 CV     1
 OR { 6043}
   (( segid "    " and resid 2    and name HB1 ))
   (( segid "    " and resid 76   and name HA  ))
 ASSI { 7783}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.800     1.000     1.000 peak  7783 spectrum    1 weight  0.10000E+01 volume  0.20977E-02 ppm1      3.967 ppm2      7.777 CV     1
 ASSI { 6044}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 76   and name HA  ))
      3.300     1.300     1.300 peak  6044 spectrum    1 weight  0.10000E+01 volume  0.57309E-03 ppm1      0.928 ppm2      5.328 CV     1
 ASSI { 6045}
   (  segid "    " and resid 88   and name HD2%)
   (( segid "    " and resid 76   and name HA  ))
      3.300     1.400     1.400 peak  6045 spectrum    1 weight  0.10000E+01 volume  0.35659E-03 ppm1      0.874 ppm2      5.327 CV     1
 ASSI { 6046}
   (  segid "    " and resid 88   and name HD1%)
   (( segid "    " and resid 76   and name HA  ))
      3.300     3.300     2.700 peak  6046 spectrum    1 weight  0.10000E+01 volume  0.34749E-03 ppm1      0.806 ppm2      5.328 CV     1
 ASSI { 6047}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 76   and name HA  ))
      4.100     2.100     1.900 peak  6047 spectrum    1 weight  0.10000E+01 volume  0.49668E-03 ppm1      0.680 ppm2      5.328 CV     1
 ASSI { 6048}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 76   and name HA  ))
      4.700     2.800     1.300 peak  6048 spectrum    1 weight  0.10000E+01 volume  0.17647E-03 ppm1      0.612 ppm2      5.330 CV     1
 ASSI { 7788}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HN  ))
      3.100     1.200     1.200 peak  7788 spectrum    1 weight  0.10000E+01 volume  0.31638E-02 ppm1      1.910 ppm2      7.779 CV     1
 ASSI { 8738}
   (( segid "    " and resid 32   and name HB2 ))
   (  segid "    " and resid 37   and name HG2%)
      2.600     2.600     3.400 peak  8738 spectrum    1 weight  0.10000E+01 volume  0.77213E-02 ppm1      2.222 ppm2      1.109 CV     1
 ASSI { 8739}
   (( segid "    " and resid 10   and name HB  ))
   (  segid "    " and resid 10   and name HG1%)
      2.300     0.700     0.700 peak  8739 spectrum    1 weight  0.10000E+01 volume  0.45283E-02 ppm1      2.143 ppm2      1.049 CV     1
 OR { 8739}
   (( segid "    " and resid 10   and name HB  ))
   (  segid "    " and resid 10   and name HG2%)
 ASSI { 6053}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 16   and name HD% )
      5.800     4.100     0.200 peak  6053 spectrum    1 weight  0.10000E+01 volume  0.83690E-04 ppm1      3.922 ppm2      5.834 CV     1
 ASSI { 7793}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      3.700     1.700     1.700 peak  7793 spectrum    1 weight  0.10000E+01 volume  0.11789E-02 ppm1      3.789 ppm2      8.292 CV     1
 ASSI { 6056}
   (( segid "    " and resid 102  and name HN  ))
   (  segid "    " and resid 16   and name HD% )
      4.500     2.600     1.500 peak  6056 spectrum    1 weight  0.10000E+01 volume  0.54579E-04 ppm1      7.102 ppm2      5.833 CV     1
 ASSI { 7796}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 11   and name HN  ))
      2.900     2.900     3.100 peak  7796 spectrum    1 weight  0.10000E+01 volume  0.42390E-02 ppm1      2.027 ppm2      8.292 CV     1
 ASSI { 6057}
   (  segid "    " and resid 13   and name HD% )
   (  segid "    " and resid 16   and name HD% )
      6.000     5.200     0.000 peak  6057 spectrum    1 weight  0.10000E+01 volume  0.32747E-04 ppm1      7.257 ppm2      5.832 CV     1
 ASSI { 7797}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
      2.600     0.800     0.800 peak  7797 spectrum    1 weight  0.10000E+01 volume  0.23887E-02 ppm1      1.733 ppm2      8.292 CV     1
 ASSI { 7798}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HN  ))
      3.200     1.300     1.300 peak  7798 spectrum    1 weight  0.10000E+01 volume  0.22905E-02 ppm1      1.671 ppm2      8.291 CV     1
 ASSI { 6059}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 16   and name HD% )
      4.000     2.000     2.000 peak  6059 spectrum    1 weight  0.10000E+01 volume  0.77137E-03 ppm1      7.460 ppm2      5.834 CV     1
 ASSI { 7000}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 97   and name HN  ))
      3.200     1.300     1.300 peak  7000 spectrum    1 weight  0.10000E+01 volume  0.89327E-03 ppm1      3.641 ppm2      7.037 CV     1
 ASSI { 7003}
   (( segid "    " and resid 17   and name HD22))
   (( segid "    " and resid 17   and name HD21))
      2.000     0.500     0.500 peak  7003 spectrum    1 weight  0.10000E+01 volume  0.61165E-02 ppm1      7.559 ppm2      6.879 CV     1
 ASSI { 8746}
   (( segid "    " and resid 44   and name HD1 ))
   (( segid "    " and resid 44   and name HG2 ))
      4.000     2.000     2.000 peak  8746 spectrum    1 weight  0.10000E+01 volume  0.17829E-03 ppm1      2.314 ppm2      0.886 CV     1
 ASSI { 8747}
   (( segid "    " and resid 44   and name HD2 ))
   (( segid "    " and resid 44   and name HG2 ))
      4.800     2.900     1.200 peak  8747 spectrum    1 weight  0.10000E+01 volume  0.94603E-04 ppm1      2.415 ppm2      0.887 CV     1
 ASSI { 7008}
   (  segid "    " and resid 123  and name HG2%)
   (  segid "    " and resid 124  and name HD% )
      3.700     1.700     1.700 peak  7008 spectrum    1 weight  0.10000E+01 volume  0.62584E-03 ppm1      1.002 ppm2      6.978 CV     1
 ASSI { 6060}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 16   and name HD% )
      6.000     5.900     0.000 peak  6060 spectrum    1 weight  0.10000E+01 volume  0.18193E-04 ppm1      7.741 ppm2      5.833 CV     1
 ASSI { 6062}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 16   and name HD% )
      4.200     2.200     1.800 peak  6062 spectrum    1 weight  0.10000E+01 volume  0.81870E-04 ppm1      8.267 ppm2      5.835 CV     1
 ASSI { 6064}
   (  segid "    " and resid 16   and name HD% )
   (  segid "    " and resid 16   and name HE% )
      2.800     1.000     1.000 peak  6064 spectrum    1 weight  0.10000E+01 volume  0.18393E-02 ppm1      5.833 ppm2      6.794 CV     1
 ASSI { 6068}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 16   and name HE% )
      3.500     1.500     1.500 peak  6068 spectrum    1 weight  0.10000E+01 volume  0.16556E-02 ppm1      4.160 ppm2      6.795 CV     1
 ASSI { 6069}
   (( segid "    " and resid 16   and name HB2 ))
   (  segid "    " and resid 16   and name HD% )
      3.700     1.700     1.700 peak  6069 spectrum    1 weight  0.10000E+01 volume  0.45846E-03 ppm1      2.751 ppm2      5.836 CV     1
 ASSI { 7012}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 1    and name HE21))
      4.800     2.900     1.200 peak  7012 spectrum    1 weight  0.10000E+01 volume  0.28745E-03 ppm1      5.059 ppm2      6.652 CV     1
 ASSI { 7013}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 1    and name HE21))
      4.800     2.900     1.200 peak  7013 spectrum    1 weight  0.10000E+01 volume  0.87330E-04 ppm1      3.978 ppm2      6.653 CV     1
 ASSI { 7014}
   (( segid "    " and resid 1    and name HG2 ))
   (( segid "    " and resid 1    and name HE21))
      3.300     1.400     1.400 peak  7014 spectrum    1 weight  0.10000E+01 volume  0.96423E-03 ppm1      2.186 ppm2      6.653 CV     1
 ASSI { 7015}
   (( segid "    " and resid 1    and name HG1 ))
   (( segid "    " and resid 1    and name HE21))
      2.800     0.900     0.900 peak  7015 spectrum    1 weight  0.10000E+01 volume  0.11207E-02 ppm1      2.033 ppm2      6.651 CV     1
 ASSI { 6070}
   (( segid "    " and resid 16   and name HB1 ))
   (  segid "    " and resid 16   and name HD% )
      3.600     1.600     1.600 peak  6070 spectrum    1 weight  0.10000E+01 volume  0.34385E-03 ppm1      2.390 ppm2      5.836 CV     1
 ASSI { 7019}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 1    and name HE21))
      4.100     2.100     1.900 peak  7019 spectrum    1 weight  0.10000E+01 volume  0.30928E-03 ppm1      8.500 ppm2      6.652 CV     1
 ASSI { 8759}
   (( segid "    " and resid 120  and name HG  ))
   (( segid "    " and resid 128  and name HB2 ))
      2.800     1.000     1.000 peak  8759 spectrum    1 weight  0.10000E+01 volume  0.17538E-02 ppm1      1.540 ppm2      2.720 CV     1
 ASSI { 6072}
   (( segid "    " and resid 21   and name HD1 ))
   (  segid "    " and resid 16   and name HD% )
      5.600     3.900     0.400 peak  6072 spectrum    1 weight  0.10000E+01 volume  0.85510E-04 ppm1      3.232 ppm2      5.835 CV     1
 ASSI { 6073}
   (( segid "    " and resid 101  and name HD2 ))
   (  segid "    " and resid 16   and name HD% )
      3.500     1.500     1.500 peak  6073 spectrum    1 weight  0.10000E+01 volume  0.27836E-03 ppm1      3.081 ppm2      5.834 CV     1
 ASSI { 6074}
   (( segid "    " and resid 13   and name HB1 ))
   (  segid "    " and resid 16   and name HD% )
      5.000     3.100     1.000 peak  6074 spectrum    1 weight  0.10000E+01 volume  0.15828E-03 ppm1      2.960 ppm2      5.834 CV     1
 ASSI { 6075}
   (( segid "    " and resid 101  and name HD1 ))
   (  segid "    " and resid 16   and name HD% )
      3.100     3.100     2.900 peak  6075 spectrum    1 weight  0.10000E+01 volume  0.50759E-03 ppm1      2.864 ppm2      5.835 CV     1
 ASSI { 6076}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 16   and name HD% )
      6.000     5.000     0.000 peak  6076 spectrum    1 weight  0.10000E+01 volume  0.32747E-04 ppm1      2.623 ppm2      5.835 CV     1
 ASSI { 6078}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 16   and name HD% )
      5.800     4.200     0.200 peak  6078 spectrum    1 weight  0.10000E+01 volume  0.12735E-04 ppm1      2.017 ppm2      5.834 CV     1
 ASSI { 7022}
   (( segid "    " and resid 54   and name HG2 ))
   (( segid "    " and resid 57   and name HE21))
      5.600     3.900     0.400 peak  7022 spectrum    1 weight  0.10000E+01 volume  0.26016E-03 ppm1      1.282 ppm2      6.705 CV     1
 ASSI { 6081}
   (( segid "    " and resid 99   and name HB2 ))
   (  segid "    " and resid 16   and name HD% )
      6.000     6.000     0.000 peak  6081 spectrum    1 weight  0.10000E+01 volume  0.12735E-04 ppm1      1.737 ppm2      5.835 CV     1
 ASSI { 6082}
   (  segid "    " and resid 102  and name HB% )
   (  segid "    " and resid 16   and name HD% )
      4.300     2.300     1.700 peak  6082 spectrum    1 weight  0.10000E+01 volume  0.74591E-04 ppm1      1.210 ppm2      5.836 CV     1
 ASSI { 6083}
   (( segid "    " and resid 101  and name HB2 ))
   (  segid "    " and resid 16   and name HD% )
      6.000     5.400     0.000 peak  6083 spectrum    1 weight  0.10000E+01 volume  0.20013E-04 ppm1      1.049 ppm2      5.836 CV     1
 ASSI { 6084}
   (( segid "    " and resid 101  and name HG2 ))
   (  segid "    " and resid 16   and name HD% )
      3.900     1.900     1.900 peak  6084 spectrum    1 weight  0.10000E+01 volume  0.13099E-03 ppm1      0.860 ppm2      5.835 CV     1
 ASSI { 6087}
   (( segid "    " and resid 101  and name HG1 ))
   (  segid "    " and resid 16   and name HD% )
      4.100     2.100     1.900 peak  6087 spectrum    1 weight  0.10000E+01 volume  0.94603E-04 ppm1      0.313 ppm2      5.836 CV     1
 ASSI { 6088}
   (  segid "    " and resid 8    and name HG1%)
   (  segid "    " and resid 16   and name HD% )
      6.000     4.900     0.000 peak  6088 spectrum    1 weight  0.10000E+01 volume  0.38205E-04 ppm1      0.208 ppm2      5.838 CV     1
 ASSI { 7032}
   (( segid "    " and resid 57   and name HG2 ))
   (( segid "    " and resid 57   and name HE21))
      2.800     1.000     1.000 peak  7032 spectrum    1 weight  0.10000E+01 volume  0.10243E-02 ppm1      2.359 ppm2      6.706 CV     1
 ASSI { 7033}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 57   and name HE21))
      3.500     3.500     2.500 peak  7033 spectrum    1 weight  0.10000E+01 volume  0.16319E-02 ppm1      2.436 ppm2      6.706 CV     1
 ASSI { 8774}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 10   and name HG2%)
      2.600     2.600     3.400 peak  8774 spectrum    1 weight  0.10000E+01 volume  0.36404E-02 ppm1      1.915 ppm2      1.048 CV     1
 ASSI { 7039}
   (( segid "    " and resid 123  and name HB  ))
   (  segid "    " and resid 124  and name HE% )
      4.900     3.000     1.100 peak  7039 spectrum    1 weight  0.10000E+01 volume  0.11462E-03 ppm1      4.105 ppm2      6.698 CV     1
 ASSI { 6091}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 72   and name HD2 ))
      6.000     4.800     0.000 peak  6091 spectrum    1 weight  0.10000E+01 volume  0.63678E-04 ppm1      4.337 ppm2      5.963 CV     1
 ASSI { 6094}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 16   and name HE% )
      4.400     2.400     1.600 peak  6094 spectrum    1 weight  0.10000E+01 volume  0.34567E-03 ppm1      7.978 ppm2      6.793 CV     1
 ASSI { 6095}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 16   and name HE% )
      4.300     2.300     1.700 peak  6095 spectrum    1 weight  0.10000E+01 volume  0.40207E-03 ppm1      8.168 ppm2      6.793 CV     1
 ASSI { 6096}
   (( segid "    " and resid 103  and name HN  ))
   (  segid "    " and resid 16   and name HE% )
      3.200     3.200     2.800 peak  6096 spectrum    1 weight  0.10000E+01 volume  0.46210E-03 ppm1      8.243 ppm2      6.793 CV     1
 ASSI { 8780}
   (( segid "    " and resid 3    and name HG2 ))
   (  segid "    " and resid 76   and name HG2%)
      1.900     0.400     0.400 peak  8780 spectrum    1 weight  0.10000E+01 volume  0.12169E-01 ppm1      2.115 ppm2      0.931 CV     1
 ASSI { 7043}
   (( segid "    " and resid 122  and name HA2 ))
   (( segid "    " and resid 123  and name HN  ))
      2.500     0.800     0.800 peak  7043 spectrum    1 weight  0.10000E+01 volume  0.54725E-02 ppm1      3.921 ppm2      8.050 CV     1
 OR { 7043}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 123  and name HN  ))
 ASSI { 7044}
   (( segid "    " and resid 121  and name HB1 ))
   (( segid "    " and resid 121  and name HD21))
      2.800     1.000     1.000 peak  7044 spectrum    1 weight  0.10000E+01 volume  0.18175E-02 ppm1      2.783 ppm2      6.847 CV     1
 OR { 7044}
   (( segid "    " and resid 121  and name HB2 ))
   (( segid "    " and resid 121  and name HD21))
 ASSI { 7045}
   (( segid "    " and resid 122  and name HA2 ))
   (( segid "    " and resid 121  and name HD21))
      4.100     2.100     1.900 peak  7045 spectrum    1 weight  0.10000E+01 volume  0.45846E-03 ppm1      3.904 ppm2      6.847 CV     1
 OR { 7045}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 121  and name HD21))
 ASSI { 8786}
   (( segid "    " and resid 18   and name HB1 ))
   (  segid "    " and resid 8    and name HG2%)
      3.100     1.200     1.200 peak  8786 spectrum    1 weight  0.10000E+01 volume  0.10334E-02 ppm1      2.822 ppm2      0.582 CV     1
 ASSI { 7047}
   (( segid "    " and resid 123  and name HB  ))
   (( segid "    " and resid 121  and name HD21))
      3.000     1.100     1.100 peak  7047 spectrum    1 weight  0.10000E+01 volume  0.20158E-02 ppm1      4.090 ppm2      6.847 CV     1
 ASSI { 7051}
   (  segid "    " and resid 120  and name HD1%)
   (( segid "    " and resid 121  and name HD21))
      3.600     1.600     1.600 peak  7051 spectrum    1 weight  0.10000E+01 volume  0.11680E-02 ppm1      0.782 ppm2      6.846 CV     1
 ASSI { 7052}
   (  segid "    " and resid 120  and name HD2%)
   (( segid "    " and resid 121  and name HD21))
      3.400     3.400     2.600 peak  7052 spectrum    1 weight  0.10000E+01 volume  0.17865E-02 ppm1      0.817 ppm2      6.847 CV     1
 ASSI { 8795}
   (( segid "    " and resid 43   and name HB  ))
   (( segid "    " and resid 44   and name HG1 ))
      3.900     3.900     2.100 peak  8795 spectrum    1 weight  0.10000E+01 volume  0.67317E-03 ppm1      1.909 ppm2      0.481 CV     1
 ASSI { 8798}
   (( segid "    " and resid 41   and name HB  ))
   (  segid "    " and resid 41   and name HG2%)
      2.800     1.000     1.000 peak  8798 spectrum    1 weight  0.10000E+01 volume  0.11516E-02 ppm1      1.546 ppm2      0.483 CV     1
 ASSI { 8000}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 89   and name HA  ))
      3.900     1.900     1.900 peak  8000 spectrum    1 weight  0.10000E+01 volume  0.98060E-03 ppm1      3.213 ppm2      3.803 CV     1
 ASSI { 8001}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 64   and name HA  ))
      4.100     2.100     1.900 peak  8001 spectrum    1 weight  0.10000E+01 volume  0.41480E-03 ppm1      3.328 ppm2      4.347 CV     1
 ASSI { 8006}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 92   and name HA  ))
      3.300     1.400     1.400 peak  8006 spectrum    1 weight  0.10000E+01 volume  0.10607E-02 ppm1      3.799 ppm2      3.220 CV     1
 ASSI { 6402}
   (  segid "    " and resid 16   and name HE% )
   (  segid "    " and resid 18   and name HE% )
      2.200     0.600     0.600 peak  6402 spectrum    1 weight  0.10000E+01 volume  0.85851E-02 ppm1      6.793 ppm2      7.373 CV     1
 ASSI { 6406}
   (( segid "    " and resid 64   and name HE3 ))
   (( segid "    " and resid 64   and name HZ3 ))
      2.400     0.700     0.700 peak  6406 spectrum    1 weight  0.10000E+01 volume  0.59910E-02 ppm1      7.402 ppm2      7.277 CV     1
 ASSI { 7062}
   (  segid "    " and resid 120  and name HD2%)
   (( segid "    " and resid 120  and name HN  ))
      2.300     0.600     0.600 peak  7062 spectrum    1 weight  0.10000E+01 volume  0.71697E-02 ppm1      0.818 ppm2      7.970 CV     1
 ASSI { 7063}
   (  segid "    " and resid 10   and name HG1%)
   (( segid "    " and resid 12   and name HN  ))
      4.000     2.000     2.000 peak  7063 spectrum    1 weight  0.10000E+01 volume  0.64404E-03 ppm1      1.046 ppm2      7.778 CV     1
 OR { 7063}
   (  segid "    " and resid 10   and name HG2%)
   (( segid "    " and resid 12   and name HN  ))
 ASSI { 7067}
   (( segid "    " and resid 88   and name HB1 ))
   (( segid "    " and resid 89   and name HN  ))
      3.200     1.300     1.300 peak  7067 spectrum    1 weight  0.10000E+01 volume  0.15919E-02 ppm1      1.342 ppm2      7.630 CV     1
 ASSI { 7068}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 78   and name HN  ))
      2.300     0.600     0.600 peak  7068 spectrum    1 weight  0.10000E+01 volume  0.78957E-02 ppm1      0.886 ppm2      8.046 CV     1
 ASSI { 7069}
   (  segid "    " and resid 114  and name HD1%)
   (( segid "    " and resid 114  and name HN  ))
      2.600     0.900     0.900 peak  7069 spectrum    1 weight  0.10000E+01 volume  0.73776E-02 ppm1      0.805 ppm2      8.051 CV     1
 OR { 7069}
   (  segid "    " and resid 114  and name HD2%)
   (( segid "    " and resid 114  and name HN  ))
 ASSI { 8017}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 16   and name HE% )
      2.600     0.800     0.800 peak  8017 spectrum    1 weight  0.10000E+01 volume  0.34185E-02 ppm1      1.999 ppm2      6.795 CV     1
 ASSI { 6413}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      4.400     2.400     1.600 peak  6413 spectrum    1 weight  0.10000E+01 volume  0.24924E-03 ppm1      9.416 ppm2      4.349 CV     1
 ASSI { 8018}
   (( segid "    " and resid 21   and name HB1 ))
   (  segid "    " and resid 16   and name HE% )
      3.000     1.100     1.100 peak  8018 spectrum    1 weight  0.10000E+01 volume  0.17138E-02 ppm1      1.837 ppm2      6.796 CV     1
 ASSI { 8019}
   (( segid "    " and resid 99   and name HB2 ))
   (  segid "    " and resid 16   and name HE% )
      3.700     1.700     1.700 peak  8019 spectrum    1 weight  0.10000E+01 volume  0.76954E-03 ppm1      1.734 ppm2      6.795 CV     1
 ASSI { 6417}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 72   and name HE1 ))
      6.000     5.100     0.000 peak  6417 spectrum    1 weight  0.10000E+01 volume  0.21832E-04 ppm1      9.829 ppm2      7.335 CV     1
 ASSI { 6418}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HE1 ))
      5.200     3.400     0.800 peak  6418 spectrum    1 weight  0.10000E+01 volume  0.87330E-04 ppm1      9.070 ppm2      7.340 CV     1
 ASSI { 6419}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 66   and name HD2 ))
      6.000     6.000     0.000 peak  6419 spectrum    1 weight  0.10000E+01 volume  0.72771E-05 ppm1      9.828 ppm2      7.092 CV     1
 ASSI { 7077}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 130  and name HN  ))
      2.200     0.600     0.600 peak  7077 spectrum    1 weight  0.10000E+01 volume  0.86256E-02 ppm1      4.213 ppm2      8.098 CV     1
 ASSI { 8020}
   (( segid "    " and resid 101  and name HB1 ))
   (  segid "    " and resid 16   and name HE% )
      2.300     2.300     3.700 peak  8020 spectrum    1 weight  0.10000E+01 volume  0.33420E-02 ppm1      0.850 ppm2      6.794 CV     1
 ASSI { 8023}
   (( segid "    " and resid 13   and name HB2 ))
   (  segid "    " and resid 18   and name HE% )
      3.600     1.600     1.600 peak  8023 spectrum    1 weight  0.10000E+01 volume  0.36750E-03 ppm1      3.551 ppm2      7.377 CV     1
 ASSI { 8024}
   (( segid "    " and resid 13   and name HB1 ))
   (  segid "    " and resid 18   and name HE% )
      3.700     1.700     1.700 peak  8024 spectrum    1 weight  0.10000E+01 volume  0.15355E-02 ppm1      2.965 ppm2      7.373 CV     1
 ASSI { 6420}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HD2 ))
      5.200     3.400     0.800 peak  6420 spectrum    1 weight  0.10000E+01 volume  0.10552E-03 ppm1      9.416 ppm2      7.092 CV     1
 ASSI { 6421}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 66   and name HE1 ))
      6.000     4.700     0.000 peak  6421 spectrum    1 weight  0.10000E+01 volume  0.36386E-04 ppm1      9.829 ppm2      7.796 CV     1
 ASSI { 8027}
   (  segid "    " and resid 99   and name HD1%)
   (( segid "    " and resid 18   and name HZ  ))
      4.100     2.100     1.900 peak  8027 spectrum    1 weight  0.10000E+01 volume  0.36023E-03 ppm1      0.579 ppm2      6.994 CV     1
 ASSI { 6423}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 68   and name HD21))
      6.000     6.000     0.000 peak  6423 spectrum    1 weight  0.10000E+01 volume  0.10916E-04 ppm1      9.414 ppm2      7.006 CV     1
 ASSI { 6424}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 72   and name HD2 ))
      3.200     1.300     1.300 peak  6424 spectrum    1 weight  0.10000E+01 volume  0.46392E-03 ppm1      1.012 ppm2      5.964 CV     1
 ASSI { 6426}
   (( segid "    " and resid 101  and name HG1 ))
   (  segid "    " and resid 16   and name HE% )
      3.300     3.300     2.700 peak  6426 spectrum    1 weight  0.10000E+01 volume  0.38023E-03 ppm1      0.314 ppm2      6.795 CV     1
 ASSI { 7082}
   (( segid "    " and resid 126  and name HA  ))
   (( segid "    " and resid 126  and name HN  ))
      2.800     0.900     0.900 peak  7082 spectrum    1 weight  0.10000E+01 volume  0.25434E-02 ppm1      4.387 ppm2      8.055 CV     1
 ASSI { 6427}
   (( segid "    " and resid 101  and name HG1 ))
   (( segid "    " and resid 18   and name HZ  ))
      4.300     2.300     1.700 peak  6427 spectrum    1 weight  0.10000E+01 volume  0.20740E-03 ppm1      0.314 ppm2      6.992 CV     1
 ASSI { 7083}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 125  and name HN  ))
      2.200     0.600     0.600 peak  7083 spectrum    1 weight  0.10000E+01 volume  0.92366E-02 ppm1      4.122 ppm2      7.891 CV     1
 ASSI { 6428}
   (( segid "    " and resid 101  and name HG1 ))
   (  segid "    " and resid 18   and name HE% )
      4.100     2.100     1.900 peak  6428 spectrum    1 weight  0.10000E+01 volume  0.57490E-03 ppm1      0.315 ppm2      7.373 CV     1
 ASSI { 7087}
   (( segid "    " and resid 119  and name HB  ))
   (( segid "    " and resid 120  and name HN  ))
      1.900     0.500     0.500 peak  7087 spectrum    1 weight  0.10000E+01 volume  0.10870E-01 ppm1      1.811 ppm2      7.966 CV     1
 ASSI { 8030}
   (( segid "    " and resid 44   and name HG1 ))
   (( segid "    " and resid 43   and name HA  ))
      4.300     2.300     1.700 peak  8030 spectrum    1 weight  0.10000E+01 volume  0.30746E-03 ppm1      0.486 ppm2      4.371 CV     1
 ASSI { 8035}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 19   and name HA  ))
      4.000     2.000     2.000 peak  8035 spectrum    1 weight  0.10000E+01 volume  0.69681E-03 ppm1      3.666 ppm2      3.301 CV     1
 ASSI { 6434}
   (  segid "    " and resid 99   and name HD1%)
   (  segid "    " and resid 18   and name HE% )
      3.100     1.200     1.200 peak  6434 spectrum    1 weight  0.10000E+01 volume  0.15518E-02 ppm1      0.580 ppm2      7.374 CV     1
 ASSI { 7090}
   (( segid "    " and resid 120  and name HG  ))
   (( segid "    " and resid 120  and name HN  ))
      5.500     3.800     0.500 peak  7090 spectrum    1 weight  0.10000E+01 volume  0.10916E-03 ppm1      1.552 ppm2      7.967 CV     1
 ASSI { 8039}
   (( segid "    " and resid 24   and name HA1 ))
   (( segid "    " and resid 19   and name HA  ))
      5.400     3.600     0.600 peak  8039 spectrum    1 weight  0.10000E+01 volume  0.20013E-04 ppm1      3.969 ppm2      3.299 CV     1
 ASSI { 7091}
   (( segid "    " and resid 120  and name HB2 ))
   (( segid "    " and resid 120  and name HN  ))
      1.900     0.500     0.500 peak  7091 spectrum    1 weight  0.10000E+01 volume  0.10052E-01 ppm1      1.659 ppm2      7.967 CV     1
 ASSI { 7092}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 119  and name HN  ))
      2.700     0.900     0.900 peak  7092 spectrum    1 weight  0.10000E+01 volume  0.21996E-02 ppm1      4.147 ppm2      7.837 CV     1
 ASSI { 7093}
   (  segid "    " and resid 118  and name HB% )
   (( segid "    " and resid 119  and name HN  ))
      3.100     1.200     1.200 peak  7093 spectrum    1 weight  0.10000E+01 volume  0.30783E-02 ppm1      1.372 ppm2      7.834 CV     1
 ASSI { 7095}
   (  segid "    " and resid 118  and name HB% )
   (( segid "    " and resid 118  and name HN  ))
      2.600     0.800     0.800 peak  7095 spectrum    1 weight  0.10000E+01 volume  0.50668E-02 ppm1      1.374 ppm2      7.876 CV     1
 ASSI { 7097}
   (( segid "    " and resid 117  and name HB1 ))
   (( segid "    " and resid 117  and name HN  ))
      2.000     0.500     0.500 peak  7097 spectrum    1 weight  0.10000E+01 volume  0.10898E-01 ppm1      1.538 ppm2      7.873 CV     1
 OR { 7097}
   (( segid "    " and resid 117  and name HB2 ))
   (( segid "    " and resid 117  and name HN  ))
 ASSI { 7098}
   (  segid "    " and resid 117  and name HD1%)
   (( segid "    " and resid 117  and name HN  ))
      2.900     1.000     1.000 peak  7098 spectrum    1 weight  0.10000E+01 volume  0.54252E-02 ppm1      0.803 ppm2      7.874 CV     1
 OR { 7098}
   (  segid "    " and resid 117  and name HD2%)
   (( segid "    " and resid 117  and name HN  ))
 ASSI { 7099}
   (( segid "    " and resid 117  and name HA  ))
   (( segid "    " and resid 117  and name HN  ))
      2.300     0.600     0.600 peak  7099 spectrum    1 weight  0.10000E+01 volume  0.69441E-02 ppm1      4.135 ppm2      7.873 CV     1
 ASSI { 8040}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 19   and name HA  ))
      3.600     3.600     2.400 peak  8040 spectrum    1 weight  0.10000E+01 volume  0.11625E-02 ppm1      4.062 ppm2      3.299 CV     1
 ASSI { 6453}
   (( segid "    " and resid 44   and name HB1 ))
   (( segid "    " and resid 44   and name HD1 ))
      3.700     1.700     1.700 peak  6453 spectrum    1 weight  0.10000E+01 volume  0.16192E-03 ppm1      0.344 ppm2      2.311 CV     1
 ASSI { 6455}
   (( segid "    " and resid 44   and name HG1 ))
   (( segid "    " and resid 44   and name HD2 ))
      3.200     1.200     1.200 peak  6455 spectrum    1 weight  0.10000E+01 volume  0.39843E-03 ppm1      0.486 ppm2      2.410 CV     1
 ASSI { 6456}
   (( segid "    " and resid 44   and name HG1 ))
   (( segid "    " and resid 44   and name HD1 ))
      4.300     2.300     1.700 peak  6456 spectrum    1 weight  0.10000E+01 volume  0.18011E-03 ppm1      0.487 ppm2      2.312 CV     1
 ASSI { 6457}
   (( segid "    " and resid 44   and name HB1 ))
   (( segid "    " and resid 44   and name HA  ))
      3.700     1.700     1.700 peak  6457 spectrum    1 weight  0.10000E+01 volume  0.28018E-03 ppm1      0.344 ppm2      4.285 CV     1
 ASSI { 6458}
   (( segid "    " and resid 44   and name HG1 ))
   (( segid "    " and resid 44   and name HA  ))
      4.800     2.900     1.200 peak  6458 spectrum    1 weight  0.10000E+01 volume  0.15828E-03 ppm1      0.486 ppm2      4.284 CV     1
 ASSI { 9005}
   (( segid "    " and resid 64   and name HZ3 ))
   (( segid "    " and resid 55   and name HA  ))
      3.400     3.400     2.600 peak  9005 spectrum    1 weight  0.10000E+01 volume  0.13663E-02 ppm1      7.261 ppm2      3.693 CV     1
 ASSI { 7404}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HN  ))
      2.300     0.700     0.700 peak  7404 spectrum    1 weight  0.10000E+01 volume  0.46247E-02 ppm1      1.841 ppm2      7.238 CV     1
 ASSI { 9009}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.900     2.900     3.100 peak  9009 spectrum    1 weight  0.10000E+01 volume  0.21977E-02 ppm1      7.252 ppm2      3.972 CV     1
 ASSI { 8061}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB  ))
      3.600     1.600     1.600 peak  8061 spectrum    1 weight  0.10000E+01 volume  0.39115E-03 ppm1      5.333 ppm2      3.975 CV     1
 ASSI { 7406}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HD2 ))
      3.100     1.200     1.200 peak  7406 spectrum    1 weight  0.10000E+01 volume  0.10534E-02 ppm1      7.923 ppm2      7.091 CV     1
 ASSI { 7407}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 66   and name HD2 ))
      3.600     3.600     2.400 peak  7407 spectrum    1 weight  0.10000E+01 volume  0.91873E-03 ppm1      8.044 ppm2      7.091 CV     1
 ASSI { 7408}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 66   and name HD2 ))
      3.400     1.500     1.500 peak  7408 spectrum    1 weight  0.10000E+01 volume  0.11407E-02 ppm1      7.782 ppm2      7.091 CV     1
 ASSI { 8065}
   (  segid "    " and resid 13   and name HE% )
   (( segid "    " and resid 12   and name HA  ))
      3.700     1.700     1.700 peak  8065 spectrum    1 weight  0.10000E+01 volume  0.17283E-03 ppm1      6.747 ppm2      3.799 CV     1
 ASSI { 8069}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.100     3.100     2.900 peak  8069 spectrum    1 weight  0.10000E+01 volume  0.51668E-03 ppm1      7.198 ppm2      3.697 CV     1
 ASSI { 6467}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      4.100     2.100     1.900 peak  6467 spectrum    1 weight  0.10000E+01 volume  0.58764E-03 ppm1      8.987 ppm2      9.080 CV     1
 ASSI { 9013}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.400     0.700     0.700 peak  9013 spectrum    1 weight  0.10000E+01 volume  0.43099E-02 ppm1      7.458 ppm2      4.156 CV     1
 ASSI { 9016}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 90   and name HA  ))
      2.700     0.900     0.900 peak  9016 spectrum    1 weight  0.10000E+01 volume  0.25288E-02 ppm1      7.525 ppm2      4.064 CV     1
 ASSI { 9017}
   (( segid "    " and resid 32   and name HE22))
   (( segid "    " and resid 32   and name HA  ))
      3.100     1.200     1.200 peak  9017 spectrum    1 weight  0.10000E+01 volume  0.24179E-02 ppm1      7.599 ppm2      4.065 CV     1
 ASSI { 9018}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HA2 ))
      2.600     0.900     0.900 peak  9018 spectrum    1 weight  0.10000E+01 volume  0.39952E-02 ppm1      7.449 ppm2      4.078 CV     1
 ASSI { 7414}
   (( segid "    " and resid 44   and name HG1 ))
   (( segid "    " and resid 66   and name HD2 ))
      6.000     4.600     0.000 peak  7414 spectrum    1 weight  0.10000E+01 volume  0.56399E-04 ppm1      0.473 ppm2      7.090 CV     1
 ASSI { 7415}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      2.600     0.900     0.900 peak  7415 spectrum    1 weight  0.10000E+01 volume  0.39625E-02 ppm1      3.881 ppm2      7.923 CV     1
 ASSI { 7416}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 66   and name HD2 ))
      2.600     2.600     3.400 peak  7416 spectrum    1 weight  0.10000E+01 volume  0.43499E-02 ppm1      1.844 ppm2      7.091 CV     1
 ASSI { 6476}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HN  ))
      4.300     2.300     1.700 peak  6476 spectrum    1 weight  0.10000E+01 volume  0.40571E-03 ppm1      8.220 ppm2      8.703 CV     1
 ASSI { 9022}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      3.000     1.200     1.200 peak  9022 spectrum    1 weight  0.10000E+01 volume  0.13736E-02 ppm1      7.596 ppm2      3.991 CV     1
 ASSI { 9024}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      2.500     0.800     0.800 peak  9024 spectrum    1 weight  0.10000E+01 volume  0.43554E-02 ppm1      7.456 ppm2      3.925 CV     1
 ASSI { 7420}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 64   and name HN  ))
      2.900     2.900     3.100 peak  7420 spectrum    1 weight  0.10000E+01 volume  0.77757E-02 ppm1      1.786 ppm2      8.041 CV     1
 ASSI { 9025}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      4.100     2.100     1.900 peak  9025 spectrum    1 weight  0.10000E+01 volume  0.53488E-03 ppm1      7.577 ppm2      3.699 CV     1
 ASSI { 9028}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HA1 ))
      2.700     0.900     0.900 peak  9028 spectrum    1 weight  0.10000E+01 volume  0.27999E-02 ppm1      7.447 ppm2      3.824 CV     1
 ASSI { 8080}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HA2 ))
      4.300     2.300     1.700 peak  8080 spectrum    1 weight  0.10000E+01 volume  0.73497E-03 ppm1      8.274 ppm2      3.749 CV     1
 ASSI { 7426}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 63   and name HN  ))
      3.200     1.300     1.300 peak  7426 spectrum    1 weight  0.10000E+01 volume  0.26580E-02 ppm1      1.778 ppm2      8.768 CV     1
 ASSI { 8083}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 20   and name HA2 ))
      3.200     3.200     2.800 peak  8083 spectrum    1 weight  0.10000E+01 volume  0.17083E-02 ppm1      7.967 ppm2      3.751 CV     1
 ASSI { 7427}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 63   and name HN  ))
      2.900     1.100     1.100 peak  7427 spectrum    1 weight  0.10000E+01 volume  0.27089E-02 ppm1      1.988 ppm2      8.768 CV     1
 OR { 7427}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
 ASSI { 8085}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 20   and name HA2 ))
      2.900     1.100     1.100 peak  8085 spectrum    1 weight  0.10000E+01 volume  0.13390E-02 ppm1      7.407 ppm2      3.751 CV     1
 ASSI { 7429}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 121  and name HD21))
      3.300     1.400     1.400 peak  7429 spectrum    1 weight  0.10000E+01 volume  0.48940E-03 ppm1      8.247 ppm2      6.846 CV     1
 ASSI { 6481}
   (  segid "    " and resid 7    and name HD% )
   (( segid "    " and resid 73   and name HN  ))
      4.100     2.100     1.900 peak  6481 spectrum    1 weight  0.10000E+01 volume  0.62584E-03 ppm1      7.078 ppm2      8.913 CV     1
 ASSI { 8088}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HD2 ))
      3.600     1.600     1.600 peak  8088 spectrum    1 weight  0.10000E+01 volume  0.37114E-03 ppm1      4.558 ppm2      3.581 CV     1
 OR { 8088}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HD1 ))
 ASSI { 6484}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 92   and name HN  ))
      4.000     2.000     2.000 peak  6484 spectrum    1 weight  0.10000E+01 volume  0.39115E-03 ppm1      7.526 ppm2      8.727 CV     1
 ASSI { 8089}
   (( segid "    " and resid 24   and name HA2 ))
   (( segid "    " and resid 20   and name HA2 ))
      2.800     1.000     1.000 peak  8089 spectrum    1 weight  0.10000E+01 volume  0.15664E-02 ppm1      4.393 ppm2      3.751 CV     1
 ASSI { 6487}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 92   and name HN  ))
      4.100     2.100     1.900 peak  6487 spectrum    1 weight  0.10000E+01 volume  0.25106E-03 ppm1      7.637 ppm2      8.726 CV     1
 ASSI { 9030}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      2.900     1.100     1.100 peak  9030 spectrum    1 weight  0.10000E+01 volume  0.21959E-02 ppm1      7.356 ppm2      3.925 CV     1
 ASSI { 9035}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      3.300     1.400     1.400 peak  9035 spectrum    1 weight  0.10000E+01 volume  0.10425E-02 ppm1      7.456 ppm2      3.690 CV     1
 ASSI { 7431}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 63   and name HD21))
      5.400     3.600     0.600 peak  7431 spectrum    1 weight  0.10000E+01 volume  0.36386E-04 ppm1     10.031 ppm2      6.844 CV     1
 ASSI { 7432}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HD22))
      6.000     6.000     0.000 peak  7432 spectrum    1 weight  0.10000E+01 volume  0.72771E-05 ppm1      8.753 ppm2      7.235 CV     1
 ASSI { 7434}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HD21))
      2.800     1.000     1.000 peak  7434 spectrum    1 weight  0.10000E+01 volume  0.11935E-02 ppm1      2.996 ppm2      6.843 CV     1
 ASSI { 7435}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 63   and name HD22))
      3.900     1.900     1.900 peak  7435 spectrum    1 weight  0.10000E+01 volume  0.77864E-03 ppm1      2.608 ppm2      7.237 CV     1
 ASSI { 7438}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HZ3 ))
      3.600     1.600     1.600 peak  7438 spectrum    1 weight  0.10000E+01 volume  0.15828E-02 ppm1      4.344 ppm2      7.278 CV     1
 ASSI { 6490}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      4.000     2.000     2.000 peak  6490 spectrum    1 weight  0.10000E+01 volume  0.34203E-03 ppm1      8.185 ppm2      8.525 CV     1
 ASSI { 6491}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      4.300     2.300     1.700 peak  6491 spectrum    1 weight  0.10000E+01 volume  0.35295E-03 ppm1      8.459 ppm2      8.655 CV     1
 ASSI { 6492}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 107  and name HN  ))
      4.100     2.100     1.900 peak  6492 spectrum    1 weight  0.10000E+01 volume  0.22378E-03 ppm1      8.154 ppm2      8.423 CV     1
 ASSI { 8097}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 98   and name HA  ))
      5.800     4.200     0.200 peak  8097 spectrum    1 weight  0.10000E+01 volume  0.80050E-04 ppm1      3.475 ppm2      4.165 CV     1
 ASSI { 6493}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 107  and name HN  ))
      4.500     2.500     1.500 peak  6493 spectrum    1 weight  0.10000E+01 volume  0.13645E-03 ppm1      8.005 ppm2      8.424 CV     1
 ASSI { 9040}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      2.800     0.900     0.900 peak  9040 spectrum    1 weight  0.10000E+01 volume  0.22905E-02 ppm1      7.630 ppm2      4.001 CV     1
 ASSI { 9042}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      2.800     2.800     3.200 peak  9042 spectrum    1 weight  0.10000E+01 volume  0.22414E-02 ppm1      7.633 ppm2      3.880 CV     1
 ASSI { 9044}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      3.700     1.700     1.700 peak  9044 spectrum    1 weight  0.10000E+01 volume  0.47302E-03 ppm1      7.631 ppm2      3.646 CV     1
 ASSI { 7440}
   (( segid "    " and resid 100  and name HB  ))
   (( segid "    " and resid 99   and name HN  ))
      2.300     2.300     3.700 peak  7440 spectrum    1 weight  0.10000E+01 volume  0.30801E-02 ppm1      1.924 ppm2      7.211 CV     1
 ASSI { 9047}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.100     1.200     1.200 peak  9047 spectrum    1 weight  0.10000E+01 volume  0.86597E-03 ppm1      7.743 ppm2      4.159 CV     1
 ASSI { 7447}
   (  segid "    " and resid 18   and name HE% )
   (( segid "    " and resid 18   and name HZ  ))
      2.600     0.800     0.800 peak  7447 spectrum    1 weight  0.10000E+01 volume  0.27126E-02 ppm1      7.386 ppm2      7.006 CV     1
 ASSI { 9050}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      2.500     0.800     0.800 peak  9050 spectrum    1 weight  0.10000E+01 volume  0.41189E-02 ppm1      7.769 ppm2      3.887 CV     1
 ASSI { 7458}
   (( segid "    " and resid 98   and name HB1 ))
   (( segid "    " and resid 97   and name HN  ))
      4.100     2.100     1.900 peak  7458 spectrum    1 weight  0.10000E+01 volume  0.16392E-02 ppm1      1.387 ppm2      7.007 CV     1
 ASSI { 6801}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HD2 ))
      3.800     1.800     1.800 peak  6801 spectrum    1 weight  0.10000E+01 volume  0.53488E-03 ppm1      4.524 ppm2      7.091 CV     1
 ASSI { 9062}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 124  and name HA  ))
      2.800     1.000     1.000 peak  9062 spectrum    1 weight  0.10000E+01 volume  0.20777E-02 ppm1      7.896 ppm2      4.400 CV     1
 ASSI { 8407}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 107  and name HB1 ))
      2.500     0.800     0.800 peak  8407 spectrum    1 weight  0.10000E+01 volume  0.47048E-02 ppm1      4.482 ppm2      2.617 CV     1
 OR { 8407}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 107  and name HB2 ))
 ASSI { 9064}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      2.800     1.000     1.000 peak  9064 spectrum    1 weight  0.10000E+01 volume  0.15300E-02 ppm1      7.934 ppm2      4.367 CV     1
 ASSI { 8408}
   (( segid "    " and resid 126  and name HA  ))
   (( segid "    " and resid 128  and name HB2 ))
      2.900     2.900     3.100 peak  8408 spectrum    1 weight  0.10000E+01 volume  0.31183E-02 ppm1      4.390 ppm2      2.715 CV     1
 ASSI { 7460}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HN  ))
      2.400     0.700     0.700 peak  7460 spectrum    1 weight  0.10000E+01 volume  0.38588E-02 ppm1      1.975 ppm2      7.835 CV     1
 OR { 7460}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HN  ))
 ASSI { 9065}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 129  and name HA  ))
      2.700     0.900     0.900 peak  9065 spectrum    1 weight  0.10000E+01 volume  0.27635E-02 ppm1      7.826 ppm2      4.196 CV     1
 ASSI { 9068}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HA  ))
      2.100     0.600     0.600 peak  9068 spectrum    1 weight  0.10000E+01 volume  0.10969E-01 ppm1      7.878 ppm2      4.148 CV     1
 ASSI { 7464}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      3.200     1.300     1.300 peak  7464 spectrum    1 weight  0.10000E+01 volume  0.20121E-02 ppm1      5.059 ppm2      8.631 CV     1
 ASSI { 6809}
   (( segid "    " and resid 126  and name HA  ))
   (( segid "    " and resid 128  and name HN  ))
      3.400     1.500     1.500 peak  6809 spectrum    1 weight  0.10000E+01 volume  0.71861E-03 ppm1      4.390 ppm2      8.330 CV     1
 ASSI { 7469}
   (( segid "    " and resid 59   and name HG1 ))
   (( segid "    " and resid 60   and name HN  ))
      2.900     1.100     1.100 peak  7469 spectrum    1 weight  0.10000E+01 volume  0.25361E-02 ppm1      1.551 ppm2      8.634 CV     1
 OR { 7469}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 60   and name HN  ))
 ASSI { 8410}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 124  and name HB1 ))
      2.500     0.800     0.800 peak  8410 spectrum    1 weight  0.10000E+01 volume  0.29637E-02 ppm1      4.399 ppm2      2.818 CV     1
 ASSI { 8411}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 124  and name HB2 ))
      2.900     1.000     1.000 peak  8411 spectrum    1 weight  0.10000E+01 volume  0.31201E-02 ppm1      4.399 ppm2      2.877 CV     1
 ASSI { 8412}
   (( segid "    " and resid 126  and name HA  ))
   (( segid "    " and resid 126  and name HB2 ))
      2.500     0.800     0.800 peak  8412 spectrum    1 weight  0.10000E+01 volume  0.44337E-02 ppm1      4.387 ppm2      2.655 CV     1
 ASSI { 6810}
   (( segid "    " and resid 47   and name HA2 ))
   (( segid "    " and resid 48   and name HN  ))
      2.600     0.800     0.800 peak  6810 spectrum    1 weight  0.10000E+01 volume  0.34585E-02 ppm1      4.297 ppm2      8.422 CV     1
 ASSI { 8415}
   (( segid "    " and resid 126  and name HA  ))
   (( segid "    " and resid 126  and name HB1 ))
      3.100     1.200     1.200 peak  8415 spectrum    1 weight  0.10000E+01 volume  0.17520E-02 ppm1      4.389 ppm2      2.531 CV     1
 ASSI { 6812}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      2.700     0.900     0.900 peak  6812 spectrum    1 weight  0.10000E+01 volume  0.25070E-02 ppm1      4.453 ppm2      8.015 CV     1
 ASSI { 8417}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 7    and name HA  ))
      3.400     1.400     1.400 peak  8417 spectrum    1 weight  0.10000E+01 volume  0.45119E-03 ppm1      2.741 ppm2      4.334 CV     1
 ASSI { 6813}
   (( segid "    " and resid 7    and name HB2 ))
   (  segid "    " and resid 7    and name HD% )
      2.500     0.800     0.800 peak  6813 spectrum    1 weight  0.10000E+01 volume  0.41626E-02 ppm1      3.002 ppm2      7.078 CV     1
 ASSI { 6814}
   (( segid "    " and resid 7    and name HB1 ))
   (  segid "    " and resid 7    and name HD% )
      2.900     1.000     1.000 peak  6814 spectrum    1 weight  0.10000E+01 volume  0.15228E-02 ppm1      2.731 ppm2      7.079 CV     1
 ASSI { 9076}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      2.400     0.700     0.700 peak  9076 spectrum    1 weight  0.10000E+01 volume  0.54579E-02 ppm1      7.897 ppm2      4.030 CV     1
 ASSI { 7472}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      2.900     1.000     1.000 peak  7472 spectrum    1 weight  0.10000E+01 volume  0.16410E-02 ppm1      4.166 ppm2      7.391 CV     1
 ASSI { 9077}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 116  and name HA  ))
      2.500     0.800     0.800 peak  9077 spectrum    1 weight  0.10000E+01 volume  0.42062E-02 ppm1      7.873 ppm2      3.983 CV     1
 ASSI { 7473}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      4.800     2.800     1.200 peak  7473 spectrum    1 weight  0.10000E+01 volume  0.31656E-03 ppm1      8.634 ppm2      7.390 CV     1
 ASSI { 7474}
   (( segid "    " and resid 16   and name HB1 ))
   (  segid "    " and resid 18   and name HE% )
      2.600     2.600     3.400 peak  7474 spectrum    1 weight  0.10000E+01 volume  0.39352E-02 ppm1      2.407 ppm2      7.391 CV     1
 ASSI { 9079}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      2.400     0.700     0.700 peak  9079 spectrum    1 weight  0.10000E+01 volume  0.49031E-02 ppm1      7.854 ppm2      3.883 CV     1
 ASSI { 7477}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 59   and name HN  ))
      2.800     0.900     0.900 peak  7477 spectrum    1 weight  0.10000E+01 volume  0.22141E-02 ppm1      1.538 ppm2      7.391 CV     1
 OR { 7477}
   (( segid "    " and resid 59   and name HG1 ))
   (( segid "    " and resid 59   and name HN  ))
 ASSI { 7480}
   (( segid "    " and resid 101  and name HB1 ))
   (  segid "    " and resid 18   and name HE% )
      2.900     1.000     1.000 peak  7480 spectrum    1 weight  0.10000E+01 volume  0.24397E-02 ppm1      0.825 ppm2      7.391 CV     1
 ASSI { 6824}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 18   and name HE% )
      4.300     2.300     1.700 peak  6824 spectrum    1 weight  0.10000E+01 volume  0.21650E-03 ppm1      8.465 ppm2      7.371 CV     1
 ASSI { 9085}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HA  ))
      2.800     1.000     1.000 peak  9085 spectrum    1 weight  0.10000E+01 volume  0.25525E-02 ppm1      7.898 ppm2      3.808 CV     1
 ASSI { 6825}
   (( segid "    " and resid 124  and name HB2 ))
   (  segid "    " and resid 124  and name HD% )
      2.500     0.800     0.800 peak  6825 spectrum    1 weight  0.10000E+01 volume  0.40789E-02 ppm1      2.878 ppm2      6.979 CV     1
 ASSI { 6826}
   (( segid "    " and resid 124  and name HB1 ))
   (  segid "    " and resid 124  and name HD% )
      2.800     1.000     1.000 peak  6826 spectrum    1 weight  0.10000E+01 volume  0.21395E-02 ppm1      2.816 ppm2      6.979 CV     1
 ASSI { 6828}
   (( segid "    " and resid 123  and name HA  ))
   (  segid "    " and resid 124  and name HE% )
      5.100     3.300     0.900 peak  6828 spectrum    1 weight  0.10000E+01 volume  0.15828E-03 ppm1      4.207 ppm2      6.699 CV     1
 ASSI { 6829}
   (( segid "    " and resid 123  and name HA  ))
   (  segid "    " and resid 124  and name HD% )
      3.300     3.300     2.700 peak  6829 spectrum    1 weight  0.10000E+01 volume  0.21340E-02 ppm1      4.207 ppm2      6.975 CV     1
 ASSI { 7488}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      3.700     1.700     1.700 peak  7488 spectrum    1 weight  0.10000E+01 volume  0.47848E-03 ppm1      3.692 ppm2      7.359 CV     1
 ASSI { 9090}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 108  and name HB2 ))
      2.800     1.000     1.000 peak  9090 spectrum    1 weight  0.10000E+01 volume  0.22723E-02 ppm1      8.007 ppm2      3.829 CV     1
 OR { 9090}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 108  and name HB1 ))
 ASSI { 6830}
   (( segid "    " and resid 124  and name HB2 ))
   (  segid "    " and resid 124  and name HE% )
      4.700     2.700     1.300 peak  6830 spectrum    1 weight  0.10000E+01 volume  0.42572E-03 ppm1      2.876 ppm2      6.701 CV     1
 ASSI { 9091}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.500     3.500     2.500 peak  9091 spectrum    1 weight  0.10000E+01 volume  0.18193E-02 ppm1      8.012 ppm2      3.767 CV     1
 ASSI { 8435}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 90   and name HD2 ))
      3.800     1.800     1.800 peak  8435 spectrum    1 weight  0.10000E+01 volume  0.15846E-02 ppm1      4.058 ppm2      3.187 CV     1
 OR { 8435}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 90   and name HD1 ))
 ASSI { 6831}
   (( segid "    " and resid 124  and name HB1 ))
   (  segid "    " and resid 124  and name HE% )
      3.900     1.900     1.900 peak  6831 spectrum    1 weight  0.10000E+01 volume  0.12626E-02 ppm1      2.816 ppm2      6.702 CV     1
 ASSI { 9093}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 119  and name HA  ))
      2.700     0.900     0.900 peak  9093 spectrum    1 weight  0.10000E+01 volume  0.32347E-02 ppm1      7.964 ppm2      3.884 CV     1
 ASSI { 9094}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      2.300     0.700     0.700 peak  9094 spectrum    1 weight  0.10000E+01 volume  0.58764E-02 ppm1      7.974 ppm2      3.935 CV     1
 ASSI { 9095}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      2.200     0.600     0.600 peak  9095 spectrum    1 weight  0.10000E+01 volume  0.68644E-02 ppm1      8.021 ppm2      3.998 CV     1
 ASSI { 6835}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 13   and name HN  ))
      3.500     1.500     1.500 peak  6835 spectrum    1 weight  0.10000E+01 volume  0.17429E-02 ppm1      2.969 ppm2      7.253 CV     1
 ASSI { 9096}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 122  and name HA1 ))
      2.400     0.700     0.700 peak  9096 spectrum    1 weight  0.10000E+01 volume  0.57199E-02 ppm1      8.023 ppm2      3.925 CV     1
 OR { 9096}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 122  and name HA2 ))
 ASSI { 6836}
   (( segid "    " and resid 16   and name HB1 ))
   (  segid "    " and resid 16   and name HE% )
      3.500     1.600     1.600 peak  6836 spectrum    1 weight  0.10000E+01 volume  0.19812E-02 ppm1      2.390 ppm2      6.795 CV     1
 ASSI { 6837}
   (( segid "    " and resid 16   and name HB2 ))
   (  segid "    " and resid 16   and name HE% )
      4.000     2.000     2.000 peak  6837 spectrum    1 weight  0.10000E+01 volume  0.88967E-03 ppm1      2.753 ppm2      6.796 CV     1
 ASSI { 9098}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 116  and name HA  ))
      2.200     0.600     0.600 peak  9098 spectrum    1 weight  0.10000E+01 volume  0.76101E-02 ppm1      8.092 ppm2      3.985 CV     1
 ASSI { 7494}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      2.000     0.500     0.500 peak  7494 spectrum    1 weight  0.10000E+01 volume  0.10570E-01 ppm1      7.363 ppm2      7.457 CV     1
 ASSI { 8440}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 108  and name HB1 ))
      2.400     0.700     0.700 peak  8440 spectrum    1 weight  0.10000E+01 volume  0.53942E-02 ppm1      4.149 ppm2      3.838 CV     1
 OR { 8440}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 108  and name HB2 ))
 ASSI { 8444}
   (( segid "    " and resid 37   and name HB  ))
   (( segid "    " and resid 88   and name HA  ))
      2.600     0.800     0.800 peak  8444 spectrum    1 weight  0.10000E+01 volume  0.35804E-02 ppm1      4.219 ppm2      3.997 CV     1
 ASSI { 6840}
   (( segid "    " and resid 18   and name HZ  ))
   (( segid "    " and resid 18   and name HN  ))
      3.800     1.800     1.800 peak  6840 spectrum    1 weight  0.10000E+01 volume  0.16010E-03 ppm1      6.994 ppm2      8.172 CV     1
 ASSI { 6841}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 91   and name HN  ))
      3.900     1.900     1.900 peak  6841 spectrum    1 weight  0.10000E+01 volume  0.28927E-03 ppm1      7.748 ppm2      8.128 CV     1
 ASSI { 6842}
   (( segid "    " and resid 18   and name HB1 ))
   (  segid "    " and resid 18   and name HE% )
      3.500     1.500     1.500 peak  6842 spectrum    1 weight  0.10000E+01 volume  0.16992E-02 ppm1      2.809 ppm2      7.372 CV     1
 ASSI { 6856}
   (( segid "    " and resid 124  and name HB2 ))
   (( segid "    " and resid 124  and name HN  ))
      2.500     0.800     0.800 peak  6856 spectrum    1 weight  0.10000E+01 volume  0.26034E-02 ppm1      2.883 ppm2      7.926 CV     1
 ASSI { 6857}
   (( segid "    " and resid 124  and name HB1 ))
   (( segid "    " and resid 124  and name HN  ))
      3.600     1.600     1.600 peak  6857 spectrum    1 weight  0.10000E+01 volume  0.14191E-02 ppm1      2.815 ppm2      7.927 CV     1
 ASSI { 6859}
   (( segid "    " and resid 128  and name HB1 ))
   (( segid "    " and resid 128  and name HD21))
      2.800     1.000     1.000 peak  6859 spectrum    1 weight  0.10000E+01 volume  0.15300E-02 ppm1      2.642 ppm2      6.820 CV     1
 ASSI { 7800}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HN  ))
      2.600     0.800     0.800 peak  7800 spectrum    1 weight  0.10000E+01 volume  0.23014E-02 ppm1      1.408 ppm2      8.291 CV     1
 ASSI { 7801}
   (  segid "    " and resid 7    and name HE% )
   (( segid "    " and resid 5    and name HN  ))
      6.000     6.000     0.000 peak  7801 spectrum    1 weight  0.10000E+01 volume  0.21832E-04 ppm1      6.616 ppm2      8.492 CV     1
 ASSI { 8460}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 65   and name HA  ))
      3.400     3.400     2.600 peak  8460 spectrum    1 weight  0.10000E+01 volume  0.12772E-02 ppm1      4.558 ppm2      3.874 CV     1
 ASSI { 6863}
   (( segid "    " and resid 101  and name HD1 ))
   (  segid "    " and resid 13   and name HE% )
      3.300     3.300     2.700 peak  6863 spectrum    1 weight  0.10000E+01 volume  0.13336E-02 ppm1      2.886 ppm2      6.746 CV     1
 ASSI { 6864}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 13   and name HE% )
      4.500     2.500     1.500 peak  6864 spectrum    1 weight  0.10000E+01 volume  0.60947E-03 ppm1      2.611 ppm2      6.746 CV     1
 ASSI { 6867}
   (( segid "    " and resid 12   and name HB1 ))
   (  segid "    " and resid 13   and name HE% )
      3.300     1.400     1.400 peak  6867 spectrum    1 weight  0.10000E+01 volume  0.10207E-02 ppm1      1.414 ppm2      6.747 CV     1
 ASSI { 7810}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      3.700     1.700     1.700 peak  7810 spectrum    1 weight  0.10000E+01 volume  0.13427E-02 ppm1      5.104 ppm2      8.857 CV     1
 ASSI { 7813}
   (( segid "    " and resid 6    and name HG  ))
   (( segid "    " and resid 7    and name HN  ))
      3.600     1.600     1.600 peak  7813 spectrum    1 weight  0.10000E+01 volume  0.16392E-02 ppm1      1.439 ppm2      8.859 CV     1
 ASSI { 7814}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 7    and name HN  ))
      3.300     1.300     1.300 peak  7814 spectrum    1 weight  0.10000E+01 volume  0.78774E-03 ppm1      1.321 ppm2      8.857 CV     1
 ASSI { 7815}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 6    and name HN  ))
      4.900     3.000     1.100 peak  7815 spectrum    1 weight  0.10000E+01 volume  0.29655E-03 ppm1      1.215 ppm2      8.857 CV     1
 ASSI { 7817}
   (  segid "    " and resid 6    and name HD2%)
   (( segid "    " and resid 7    and name HN  ))
      2.800     2.800     3.200 peak  7817 spectrum    1 weight  0.10000E+01 volume  0.25671E-02 ppm1      0.775 ppm2      8.857 CV     1
 OR { 7817}
   (  segid "    " and resid 6    and name HD1%)
   (( segid "    " and resid 7    and name HN  ))
 ASSI { 8474}
   (( segid "    " and resid 47   and name HA1 ))
   (( segid "    " and resid 50   and name HD1 ))
      4.000     2.000     2.000 peak  8474 spectrum    1 weight  0.10000E+01 volume  0.45119E-03 ppm1      3.771 ppm2      3.048 CV     1
 ASSI { 7818}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 6    and name HN  ))
      3.400     1.400     1.400 peak  7818 spectrum    1 weight  0.10000E+01 volume  0.12281E-02 ppm1      1.775 ppm2      8.849 CV     1
 ASSI { 7819}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 6    and name HN  ))
      4.100     2.100     1.900 peak  7819 spectrum    1 weight  0.10000E+01 volume  0.77321E-03 ppm1      2.028 ppm2      8.849 CV     1
 ASSI { 6872}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 46   and name HN  ))
      3.400     1.400     1.400 peak  6872 spectrum    1 weight  0.10000E+01 volume  0.67134E-03 ppm1      1.425 ppm2      8.987 CV     1
 OR { 6872}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HN  ))
 ASSI { 6873}
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 46   and name HN  ))
      3.800     1.800     1.800 peak  6873 spectrum    1 weight  0.10000E+01 volume  0.59673E-03 ppm1      1.663 ppm2      8.988 CV     1
 OR { 6873}
   (( segid "    " and resid 46   and name HD1 ))
   (( segid "    " and resid 46   and name HN  ))
 ASSI { 8479}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 115  and name HG1 ))
      4.100     2.100     1.900 peak  8479 spectrum    1 weight  0.10000E+01 volume  0.94603E-04 ppm1      4.163 ppm2      2.937 CV     1
 OR { 8479}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 115  and name HG2 ))
 ASSI { 7825}
   (( segid "    " and resid 5    and name HG1 ))
   (( segid "    " and resid 6    and name HN  ))
      3.400     1.500     1.500 peak  7825 spectrum    1 weight  0.10000E+01 volume  0.22887E-02 ppm1      0.681 ppm2      8.849 CV     1
 ASSI { 7826}
   (  segid "    " and resid 6    and name HD2%)
   (( segid "    " and resid 6    and name HN  ))
      3.100     1.200     1.200 peak  7826 spectrum    1 weight  0.10000E+01 volume  0.26762E-02 ppm1      0.776 ppm2      8.850 CV     1
 OR { 7826}
   (  segid "    " and resid 6    and name HD1%)
   (( segid "    " and resid 6    and name HN  ))
 ASSI { 7827}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      3.700     1.800     1.800 peak  7827 spectrum    1 weight  0.10000E+01 volume  0.72411E-03 ppm1      4.819 ppm2      8.489 CV     1
 ASSI { 8484}
   (( segid "    " and resid 120  and name HA  ))
   (( segid "    " and resid 121  and name HB1 ))
      3.900     1.900     1.900 peak  8484 spectrum    1 weight  0.10000E+01 volume  0.92600E-03 ppm1      4.148 ppm2      2.780 CV     1
 OR { 8484}
   (( segid "    " and resid 120  and name HA  ))
   (( segid "    " and resid 121  and name HB2 ))
 ASSI { 7828}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 5    and name HN  ))
      3.700     1.700     1.700 peak  7828 spectrum    1 weight  0.10000E+01 volume  0.19539E-02 ppm1      2.092 ppm2      8.491 CV     1
 ASSI { 8488}
   (( segid "    " and resid 122  and name HA2 ))
   (( segid "    " and resid 121  and name HB2 ))
      3.700     1.700     1.700 peak  8488 spectrum    1 weight  0.10000E+01 volume  0.80411E-03 ppm1      3.912 ppm2      2.781 CV     1
 OR { 8488}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 121  and name HB2 ))
 OR { 8488}
   (( segid "    " and resid 122  and name HA2 ))
   (( segid "    " and resid 121  and name HB1 ))
 OR { 8488}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 121  and name HB1 ))
 ASSI { 6889}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
      2.500     0.800     0.800 peak  6889 spectrum    1 weight  0.10000E+01 volume  0.40407E-02 ppm1      1.748 ppm2      8.627 CV     1
 OR { 6889}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
 ASSI { 7836}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 4    and name HN  ))
      3.200     1.300     1.300 peak  7836 spectrum    1 weight  0.10000E+01 volume  0.12208E-02 ppm1      2.096 ppm2      8.876 CV     1
 ASSI { 7837}
   (( segid "    " and resid 4    and name HG1 ))
   (( segid "    " and resid 4    and name HN  ))
      3.000     1.100     1.100 peak  7837 spectrum    1 weight  0.10000E+01 volume  0.86420E-03 ppm1      2.029 ppm2      8.876 CV     1
 ASSI { 6890}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 52   and name HN  ))
      3.200     1.200     1.200 peak  6890 spectrum    1 weight  0.10000E+01 volume  0.18684E-02 ppm1      1.397 ppm2      8.627 CV     1
 ASSI { 6896}
   (( segid "    " and resid 123  and name HB  ))
   (  segid "    " and resid 124  and name HD% )
      3.100     1.200     1.200 peak  6896 spectrum    1 weight  0.10000E+01 volume  0.11862E-02 ppm1      4.113 ppm2      6.976 CV     1
 ASSI { 6100}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 16   and name HE% )
      3.200     1.200     1.200 peak  6100 spectrum    1 weight  0.10000E+01 volume  0.10607E-02 ppm1      4.014 ppm2      6.792 CV     1
 ASSI { 7841}
   (( segid "    " and resid 2    and name HB1 ))
   (( segid "    " and resid 4    and name HN  ))
      3.300     3.300     2.700 peak  7841 spectrum    1 weight  0.10000E+01 volume  0.21377E-02 ppm1      1.450 ppm2      8.875 CV     1
 OR { 7841}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 4    and name HN  ))
 ASSI { 6103}
   (  segid "    " and resid 102  and name HB% )
   (  segid "    " and resid 16   and name HE% )
      3.400     1.400     1.400 peak  6103 spectrum    1 weight  0.10000E+01 volume  0.32747E-03 ppm1      1.214 ppm2      6.797 CV     1
 ASSI { 6104}
   (( segid "    " and resid 101  and name HB2 ))
   (  segid "    " and resid 16   and name HE% )
      3.000     3.000     3.000 peak  6104 spectrum    1 weight  0.10000E+01 volume  0.62038E-03 ppm1      1.048 ppm2      6.794 CV     1
 ASSI { 7845}
   (  segid "    " and resid 71   and name HD1%)
   (( segid "    " and resid 46   and name HN  ))
      3.100     1.200     1.200 peak  7845 spectrum    1 weight  0.10000E+01 volume  0.57490E-03 ppm1      0.590 ppm2      8.987 CV     1
 ASSI { 6107}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 72   and name HD2 ))
      4.800     2.900     1.200 peak  6107 spectrum    1 weight  0.10000E+01 volume  0.10188E-03 ppm1      4.927 ppm2      5.963 CV     1
 ASSI { 6108}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 72   and name HD2 ))
      4.000     2.000     2.000 peak  6108 spectrum    1 weight  0.10000E+01 volume  0.27472E-03 ppm1      5.046 ppm2      5.963 CV     1
 ASSI { 7848}
   (( segid "    " and resid 1    and name HG1 ))
   (( segid "    " and resid 2    and name HN  ))
      2.800     1.000     1.000 peak  7848 spectrum    1 weight  0.10000E+01 volume  0.25616E-02 ppm1      2.033 ppm2      8.705 CV     1
 ASSI { 6109}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HD2 ))
      4.000     2.000     2.000 peak  6109 spectrum    1 weight  0.10000E+01 volume  0.39661E-03 ppm1      5.098 ppm2      5.964 CV     1
 ASSI { 7849}
   (( segid "    " and resid 1    and name HG2 ))
   (( segid "    " and resid 2    and name HN  ))
      3.100     1.200     1.200 peak  7849 spectrum    1 weight  0.10000E+01 volume  0.27908E-02 ppm1      2.171 ppm2      8.703 CV     1
 ASSI { 6110}
   (  segid "    " and resid 7    and name HE% )
   (( segid "    " and resid 72   and name HD2 ))
      6.000     4.700     0.000 peak  6110 spectrum    1 weight  0.10000E+01 volume  0.34567E-04 ppm1      6.613 ppm2      5.964 CV     1
 ASSI { 7851}
   (( segid "    " and resid 2    and name HG  ))
   (( segid "    " and resid 2    and name HN  ))
      2.700     0.900     0.900 peak  7851 spectrum    1 weight  0.10000E+01 volume  0.21886E-02 ppm1      1.400 ppm2      8.704 CV     1
 ASSI { 7852}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 2    and name HN  ))
      2.600     0.800     0.800 peak  7852 spectrum    1 weight  0.10000E+01 volume  0.31256E-02 ppm1      1.448 ppm2      8.704 CV     1
 OR { 7852}
   (( segid "    " and resid 2    and name HB1 ))
   (( segid "    " and resid 2    and name HN  ))
 ASSI { 6113}
   (( segid "    " and resid 72   and name HE1 ))
   (( segid "    " and resid 72   and name HD2 ))
      6.000     6.000     0.000 peak  6113 spectrum    1 weight  0.10000E+01 volume  0.14555E-04 ppm1      7.345 ppm2      5.965 CV     1
 ASSI { 6114}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 72   and name HD2 ))
      6.000     6.000     0.000 peak  6114 spectrum    1 weight  0.10000E+01 volume  0.23651E-04 ppm1      8.483 ppm2      5.964 CV     1
 ASSI { 6115}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 72   and name HD2 ))
      6.000     6.000     0.000 peak  6115 spectrum    1 weight  0.10000E+01 volume  0.72771E-05 ppm1      8.593 ppm2      5.962 CV     1
 ASSI { 6116}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 72   and name HD2 ))
      4.700     2.700     1.300 peak  6116 spectrum    1 weight  0.10000E+01 volume  0.11098E-03 ppm1      8.842 ppm2      5.965 CV     1
 ASSI { 6117}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HD2 ))
      3.700     1.700     1.700 peak  6117 spectrum    1 weight  0.10000E+01 volume  0.35477E-03 ppm1      8.910 ppm2      5.965 CV     1
 ASSI { 6118}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HD2 ))
      5.400     3.700     0.600 peak  6118 spectrum    1 weight  0.10000E+01 volume  0.38205E-04 ppm1      9.076 ppm2      5.963 CV     1
 ASSI { 6120}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HD2 ))
      4.200     2.200     1.800 peak  6120 spectrum    1 weight  0.10000E+01 volume  0.10370E-03 ppm1      2.592 ppm2      5.965 CV     1
 ASSI { 7860}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 95   and name HA  ))
      4.100     2.100     1.900 peak  7860 spectrum    1 weight  0.10000E+01 volume  0.46028E-03 ppm1      0.584 ppm2      3.470 CV     1
 ASSI { 6121}
   (( segid "    " and resid 44   and name HD2 ))
   (( segid "    " and resid 72   and name HD2 ))
      4.200     2.300     1.800 peak  6121 spectrum    1 weight  0.10000E+01 volume  0.36023E-03 ppm1      2.397 ppm2      5.964 CV     1
 ASSI { 6122}
   (( segid "    " and resid 44   and name HD1 ))
   (( segid "    " and resid 72   and name HD2 ))
      6.000     5.000     0.000 peak  6122 spectrum    1 weight  0.10000E+01 volume  0.58218E-04 ppm1      2.313 ppm2      5.964 CV     1
 ASSI { 7862}
   (  segid "    " and resid 95   and name HG2%)
   (( segid "    " and resid 95   and name HA  ))
      2.700     0.900     0.900 peak  7862 spectrum    1 weight  0.10000E+01 volume  0.23105E-02 ppm1      0.870 ppm2      3.471 CV     1
 ASSI { 6123}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HD2 ))
      4.800     2.900     1.200 peak  6123 spectrum    1 weight  0.10000E+01 volume  0.16010E-03 ppm1      2.032 ppm2      5.963 CV     1
 ASSI { 6124}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 72   and name HD2 ))
      4.800     2.900     1.200 peak  6124 spectrum    1 weight  0.10000E+01 volume  0.14009E-03 ppm1      1.785 ppm2      5.965 CV     1
 ASSI { 7865}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 19   and name HA  ))
      3.400     1.400     1.400 peak  7865 spectrum    1 weight  0.10000E+01 volume  0.12135E-02 ppm1      0.584 ppm2      3.288 CV     1
 ASSI { 6126}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 72   and name HD2 ))
      3.800     1.800     1.800 peak  6126 spectrum    1 weight  0.10000E+01 volume  0.16374E-03 ppm1      1.598 ppm2      5.965 CV     1
 ASSI { 7867}
   (  segid "    " and resid 99   and name HD1%)
   (( segid "    " and resid 96   and name HA  ))
      3.000     1.100     1.100 peak  7867 spectrum    1 weight  0.10000E+01 volume  0.13227E-02 ppm1      0.588 ppm2      3.638 CV     1
 ASSI { 6128}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 72   and name HD2 ))
      5.500     3.700     0.500 peak  6128 spectrum    1 weight  0.10000E+01 volume  0.22741E-03 ppm1      1.320 ppm2      5.965 CV     1
 ASSI { 7868}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 22   and name HA  ))
      2.700     0.900     0.900 peak  7868 spectrum    1 weight  0.10000E+01 volume  0.27144E-02 ppm1      0.582 ppm2      3.678 CV     1
 ASSI { 6129}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 72   and name HD2 ))
      4.700     2.800     1.300 peak  6129 spectrum    1 weight  0.10000E+01 volume  0.29109E-03 ppm1      1.209 ppm2      5.963 CV     1
 ASSI { 8810}
   (  segid "    " and resid 29   and name HG2%)
   (  segid "    " and resid 41   and name HG2%)
      3.800     1.800     1.800 peak  8810 spectrum    1 weight  0.10000E+01 volume  0.73321E-03 ppm1      1.171 ppm2      0.483 CV     1
 ASSI { 9473}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 18   and name HZ  ))
      2.900     1.000     1.000 peak  9473 spectrum    1 weight  0.10000E+01 volume  0.18339E-02 ppm1      7.235 ppm2      6.988 CV     1
 ASSI { 6130}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 72   and name HD2 ))
      3.900     1.900     1.900 peak  6130 spectrum    1 weight  0.10000E+01 volume  0.77504E-03 ppm1      1.057 ppm2      5.963 CV     1
 ASSI { 6131}
   (( segid "    " and resid 5    and name HD1 ))
   (( segid "    " and resid 72   and name HD2 ))
      5.300     3.600     0.700 peak  6131 spectrum    1 weight  0.10000E+01 volume  0.22378E-03 ppm1      0.897 ppm2      5.965 CV     1
 ASSI { 7871}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 30   and name HA  ))
      4.000     2.000     2.000 peak  7871 spectrum    1 weight  0.10000E+01 volume  0.18011E-03 ppm1      0.482 ppm2      3.941 CV     1
 ASSI { 6132}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 72   and name HD2 ))
      2.700     2.700     3.300 peak  6132 spectrum    1 weight  0.10000E+01 volume  0.11753E-02 ppm1      0.675 ppm2      5.965 CV     1
 ASSI { 7872}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 33   and name HA  ))
      5.400     3.600     0.600 peak  7872 spectrum    1 weight  0.10000E+01 volume  0.17465E-03 ppm1      0.483 ppm2      4.074 CV     1
 ASSI { 6133}
   (( segid "    " and resid 44   and name HG1 ))
   (( segid "    " and resid 72   and name HD2 ))
      5.200     3.300     0.800 peak  6133 spectrum    1 weight  0.10000E+01 volume  0.61856E-04 ppm1      0.490 ppm2      5.965 CV     1
 ASSI { 9477}
   (( segid "    " and resid 17   and name HD22))
   (( segid "    " and resid 16   and name HZ  ))
      3.200     3.200     2.800 peak  9477 spectrum    1 weight  0.10000E+01 volume  0.18339E-02 ppm1      7.545 ppm2      6.987 CV     1
 ASSI { 7873}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 34   and name HA  ))
      3.500     1.600     1.600 peak  7873 spectrum    1 weight  0.10000E+01 volume  0.24560E-03 ppm1      0.483 ppm2      4.101 CV     1
 ASSI { 6134}
   (( segid "    " and resid 44   and name HB1 ))
   (( segid "    " and resid 72   and name HD2 ))
      6.000     4.600     0.000 peak  6134 spectrum    1 weight  0.10000E+01 volume  0.72771E-04 ppm1      0.344 ppm2      5.965 CV     1
 ASSI { 7874}
   (  segid "    " and resid 119  and name HD1%)
   (( segid "    " and resid 119  and name HA  ))
      3.200     1.200     1.200 peak  7874 spectrum    1 weight  0.10000E+01 volume  0.35676E-02 ppm1      0.687 ppm2      3.883 CV     1
 ASSI { 7876}
   (  segid "    " and resid 123  and name HG2%)
   (( segid "    " and resid 123  and name HA  ))
      2.700     0.900     0.900 peak  7876 spectrum    1 weight  0.10000E+01 volume  0.29891E-02 ppm1      1.012 ppm2      4.201 CV     1
 ASSI { 7877}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 37   and name HB  ))
      2.200     0.600     0.600 peak  7877 spectrum    1 weight  0.10000E+01 volume  0.51578E-02 ppm1      1.109 ppm2      4.222 CV     1
 ASSI { 7878}
   (  segid "    " and resid 127  and name HB% )
   (( segid "    " and resid 126  and name HA  ))
      3.800     1.800     1.800 peak  7878 spectrum    1 weight  0.10000E+01 volume  0.11898E-02 ppm1      1.288 ppm2      4.389 CV     1
 ASSI { 8823}
   (( segid "    " and resid 7    and name HB2 ))
   (  segid "    " and resid 8    and name HG2%)
      4.500     2.500     1.500 peak  8823 spectrum    1 weight  0.10000E+01 volume  0.43845E-03 ppm1      3.012 ppm2      0.588 CV     1
 ASSI { 9480}
   (  segid "    " and resid 13   and name HE% )
   (  segid "    " and resid 18   and name HE% )
      3.200     1.300     1.300 peak  9480 spectrum    1 weight  0.10000E+01 volume  0.18320E-02 ppm1      6.738 ppm2      7.390 CV     1
 ASSI { 7880}
   (  segid "    " and resid 123  and name HG2%)
   (( segid "    " and resid 123  and name HB  ))
      2.700     0.900     0.900 peak  7880 spectrum    1 weight  0.10000E+01 volume  0.25853E-02 ppm1      1.011 ppm2      4.095 CV     1
 ASSI { 9485}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 63   and name HB1 ))
      3.200     3.200     2.800 peak  9485 spectrum    1 weight  0.10000E+01 volume  0.18320E-02 ppm1      7.082 ppm2      2.620 CV     1
 ASSI { 8829}
   (( segid "    " and resid 7    and name HB1 ))
   (  segid "    " and resid 8    and name HG1%)
      5.500     3.700     0.500 peak  8829 spectrum    1 weight  0.10000E+01 volume  0.69131E-04 ppm1      2.746 ppm2      0.209 CV     1
 ASSI { 9487}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 66   and name HD2 ))
      5.300     3.500     0.700 peak  9487 spectrum    1 weight  0.10000E+01 volume  0.10370E-03 ppm1      2.994 ppm2      7.081 CV     1
 ASSI { 7886}
   (  segid "    " and resid 71   and name HD1%)
   (( segid "    " and resid 46   and name HA  ))
      4.100     2.100     1.900 peak  7886 spectrum    1 weight  0.10000E+01 volume  0.92783E-04 ppm1      0.585 ppm2      4.073 CV     1
 ASSI { 6147}
   (  segid "    " and resid 16   and name HD% )
   (  segid "    " and resid 18   and name HE% )
      3.700     1.700     1.700 peak  6147 spectrum    1 weight  0.10000E+01 volume  0.35659E-03 ppm1      5.834 ppm2      7.376 CV     1
 ASSI { 7887}
   (  segid "    " and resid 99   and name HD1%)
   (( segid "    " and resid 100  and name HA  ))
      3.100     1.200     1.200 peak  7887 spectrum    1 weight  0.10000E+01 volume  0.12662E-02 ppm1      0.566 ppm2      4.096 CV     1
 ASSI { 6148}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 18   and name HE% )
      4.300     2.300     1.700 peak  6148 spectrum    1 weight  0.10000E+01 volume  0.26016E-03 ppm1      4.968 ppm2      7.375 CV     1
 ASSI { 8830}
   (( segid "    " and resid 7    and name HB1 ))
   (  segid "    " and resid 8    and name HG2%)
      3.900     1.900     1.900 peak  8830 spectrum    1 weight  0.10000E+01 volume  0.63861E-03 ppm1      2.747 ppm2      0.583 CV     1
 ASSI { 8832}
   (( segid "    " and resid 13   and name HB2 ))
   (  segid "    " and resid 8    and name HG2%)
      6.000     4.800     0.000 peak  8832 spectrum    1 weight  0.10000E+01 volume  0.29109E-04 ppm1      3.130 ppm2      0.589 CV     1
 ASSI { 9491}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 44   and name HG2 ))
      3.700     1.700     1.700 peak  9491 spectrum    1 weight  0.10000E+01 volume  0.18320E-02 ppm1      5.963 ppm2      0.904 CV     1
 ASSI { 9492}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 7    and name HA  ))
      2.900     1.100     1.100 peak  9492 spectrum    1 weight  0.10000E+01 volume  0.18320E-02 ppm1      5.100 ppm2      4.327 CV     1
 ASSI { 8836}
   (( segid "    " and resid 95   and name HA  ))
   (  segid "    " and resid 99   and name HD1%)
      3.800     1.800     1.800 peak  8836 spectrum    1 weight  0.10000E+01 volume  0.67678E-03 ppm1      3.479 ppm2      0.589 CV     1
 ASSI { 7892}
   (  segid "    " and resid 99   and name HD1%)
   (( segid "    " and resid 99   and name HA  ))
      3.500     1.500     1.500 peak  7892 spectrum    1 weight  0.10000E+01 volume  0.11426E-02 ppm1      0.579 ppm2      4.262 CV     1
 ASSI { 7893}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 107  and name HA  ))
      3.300     1.400     1.400 peak  7893 spectrum    1 weight  0.10000E+01 volume  0.12772E-02 ppm1      4.141 ppm2      4.480 CV     1
 ASSI { 7895}
   (( segid "    " and resid 37   and name HB  ))
   (( segid "    " and resid 37   and name HA  ))
      3.100     1.200     1.200 peak  7895 spectrum    1 weight  0.10000E+01 volume  0.82230E-03 ppm1      4.224 ppm2      4.358 CV     1
 ASSI { 6157}
   (( segid "    " and resid 64   and name HZ3 ))
   (( segid "    " and resid 64   and name HE1 ))
      4.100     2.100     1.900 peak  6157 spectrum    1 weight  0.10000E+01 volume  0.44573E-03 ppm1      7.274 ppm2     10.031 CV     1
 ASSI { 6159}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 64   and name HE1 ))
      5.700     4.100     0.300 peak  6159 spectrum    1 weight  0.10000E+01 volume  0.60037E-04 ppm1      7.839 ppm2     10.029 CV     1
 ASSI { 7102}
   (( segid "    " and resid 116  and name HG2 ))
   (( segid "    " and resid 116  and name HN  ))
      2.400     0.700     0.700 peak  7102 spectrum    1 weight  0.10000E+01 volume  0.29309E-02 ppm1      2.265 ppm2      8.093 CV     1
 ASSI { 7103}
   (( segid "    " and resid 116  and name HG1 ))
   (( segid "    " and resid 116  and name HN  ))
      2.700     0.900     0.900 peak  7103 spectrum    1 weight  0.10000E+01 volume  0.81687E-02 ppm1      2.043 ppm2      8.093 CV     1
 ASSI { 8843}
   (( segid "    " and resid 96   and name HA  ))
   (  segid "    " and resid 99   and name HD2%)
      2.600     0.800     0.800 peak  8843 spectrum    1 weight  0.10000E+01 volume  0.32584E-02 ppm1      3.641 ppm2      0.690 CV     1
 ASSI { 7107}
   (( segid "    " and resid 115  and name HG1 ))
   (( segid "    " and resid 115  and name HN  ))
      3.500     1.600     1.600 peak  7107 spectrum    1 weight  0.10000E+01 volume  0.18957E-02 ppm1      2.955 ppm2      7.911 CV     1
 OR { 7107}
   (( segid "    " and resid 115  and name HG2 ))
   (( segid "    " and resid 115  and name HN  ))
 ASSI { 6160}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HE1 ))
      5.700     4.100     0.300 peak  6160 spectrum    1 weight  0.10000E+01 volume  0.54579E-04 ppm1      8.038 ppm2     10.031 CV     1
 ASSI { 7109}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HN  ))
      2.800     0.900     0.900 peak  7109 spectrum    1 weight  0.10000E+01 volume  0.16883E-02 ppm1      8.181 ppm2      7.855 CV     1
 ASSI { 6163}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 64   and name HE1 ))
      6.000     6.000     0.000 peak  6163 spectrum    1 weight  0.10000E+01 volume  0.14555E-04 ppm1      4.561 ppm2     10.029 CV     1
 ASSI { 6164}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HE1 ))
      5.900     4.300     0.100 peak  6164 spectrum    1 weight  0.10000E+01 volume  0.50941E-04 ppm1      4.347 ppm2     10.029 CV     1
 ASSI { 6167}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 64   and name HE1 ))
      6.000     6.000     0.000 peak  6167 spectrum    1 weight  0.10000E+01 volume  0.16374E-04 ppm1      3.323 ppm2     10.029 CV     1
 ASSI { 6168}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 64   and name HE1 ))
      4.000     2.000     2.000 peak  6168 spectrum    1 weight  0.10000E+01 volume  0.20740E-03 ppm1      2.997 ppm2     10.030 CV     1
 ASSI { 6169}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 64   and name HE1 ))
      6.000     5.800     0.000 peak  6169 spectrum    1 weight  0.10000E+01 volume  0.25470E-04 ppm1      2.879 ppm2     10.027 CV     1
 ASSI { 7110}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 129  and name HN  ))
      3.000     1.100     1.100 peak  7110 spectrum    1 weight  0.10000E+01 volume  0.12645E-02 ppm1      8.333 ppm2      7.823 CV     1
 ASSI { 8850}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 8    and name HG2%)
      3.200     1.300     1.300 peak  8850 spectrum    1 weight  0.10000E+01 volume  0.14864E-02 ppm1      3.928 ppm2      0.573 CV     1
 ASSI { 7115}
   (( segid "    " and resid 113  and name HA  ))
   (( segid "    " and resid 113  and name HN  ))
      2.300     0.700     0.700 peak  7115 spectrum    1 weight  0.10000E+01 volume  0.55980E-02 ppm1      4.095 ppm2      8.156 CV     1
 ASSI { 7116}
   (( segid "    " and resid 113  and name HB2 ))
   (( segid "    " and resid 113  and name HN  ))
      2.200     0.600     0.600 peak  7116 spectrum    1 weight  0.10000E+01 volume  0.77921E-02 ppm1      2.051 ppm2      8.157 CV     1
 OR { 7116}
   (( segid "    " and resid 113  and name HB1 ))
   (( segid "    " and resid 113  and name HN  ))
 ASSI { 7117}
   (( segid "    " and resid 113  and name HA  ))
   (( segid "    " and resid 114  and name HN  ))
      2.400     2.400     3.600 peak  7117 spectrum    1 weight  0.10000E+01 volume  0.61765E-02 ppm1      4.095 ppm2      8.050 CV     1
 ASSI { 7118}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HN  ))
      2.200     0.600     0.600 peak  7118 spectrum    1 weight  0.10000E+01 volume  0.99134E-02 ppm1      4.124 ppm2      8.050 CV     1
 ASSI { 8858}
   (( segid "    " and resid 99   and name HA  ))
   (  segid "    " and resid 8    and name HG1%)
      6.000     6.000     0.000 peak  8858 spectrum    1 weight  0.10000E+01 volume  0.21832E-04 ppm1      4.276 ppm2      0.211 CV     1
 ASSI { 6173}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 64   and name HE1 ))
      6.000     5.400     0.000 peak  6173 spectrum    1 weight  0.10000E+01 volume  0.49122E-04 ppm1      1.732 ppm2     10.027 CV     1
 OR { 6173}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 64   and name HE1 ))
 ASSI { 6175}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 64   and name HE1 ))
      5.600     3.900     0.400 peak  6175 spectrum    1 weight  0.10000E+01 volume  0.21832E-04 ppm1      1.467 ppm2     10.029 CV     1
 ASSI { 6177}
   (( segid "    " and resid 54   and name HG2 ))
   (( segid "    " and resid 64   and name HE1 ))
      5.100     3.300     0.900 peak  6177 spectrum    1 weight  0.10000E+01 volume  0.67317E-04 ppm1      1.295 ppm2     10.029 CV     1
 ASSI { 6179}
   (  segid "    " and resid 7    and name HE% )
   (  segid "    " and resid 7    and name HD% )
      2.700     0.900     0.900 peak  6179 spectrum    1 weight  0.10000E+01 volume  0.26598E-02 ppm1      6.618 ppm2      7.078 CV     1
 ASSI { 7120}
   (( segid "    " and resid 113  and name HE2 ))
   (( segid "    " and resid 113  and name HN  ))
      4.000     2.000     2.000 peak  7120 spectrum    1 weight  0.10000E+01 volume  0.89693E-03 ppm1      2.881 ppm2      8.154 CV     1
 OR { 7120}
   (( segid "    " and resid 113  and name HE1 ))
   (( segid "    " and resid 113  and name HN  ))
 ASSI { 7121}
   (( segid "    " and resid 112  and name HB2 ))
   (( segid "    " and resid 112  and name HN  ))
      2.200     0.600     0.600 peak  7121 spectrum    1 weight  0.10000E+01 volume  0.70774E-02 ppm1      2.051 ppm2      8.014 CV     1
 OR { 7121}
   (( segid "    " and resid 112  and name HB1 ))
   (( segid "    " and resid 112  and name HN  ))
 ASSI { 8862}
   (( segid "    " and resid 99   and name HA  ))
   (  segid "    " and resid 8    and name HG2%)
      3.300     1.400     1.400 peak  8862 spectrum    1 weight  0.10000E+01 volume  0.18393E-02 ppm1      4.274 ppm2      0.578 CV     1
 ASSI { 7123}
   (( segid "    " and resid 109  and name HG  ))
   (( segid "    " and resid 109  and name HN  ))
      1.900     0.500     0.500 peak  7123 spectrum    1 weight  0.10000E+01 volume  0.84291E-02 ppm1      1.540 ppm2      8.005 CV     1
 ASSI { 8863}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 8    and name HG2%)
      3.300     1.400     1.400 peak  8863 spectrum    1 weight  0.10000E+01 volume  0.22851E-02 ppm1      4.328 ppm2      0.578 CV     1
 ASSI { 7126}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 108  and name HN  ))
      2.200     0.600     0.600 peak  7126 spectrum    1 weight  0.10000E+01 volume  0.99823E-02 ppm1      4.137 ppm2      8.153 CV     1
 ASSI { 6180}
   (( segid "    " and resid 72   and name HD2 ))
   (  segid "    " and resid 7    and name HD% )
      4.300     2.300     1.700 peak  6180 spectrum    1 weight  0.10000E+01 volume  0.72771E-04 ppm1      5.966 ppm2      7.078 CV     1
 ASSI { 7128}
   (( segid "    " and resid 105  and name HA2 ))
   (( segid "    " and resid 107  and name HN  ))
      3.100     3.100     2.900 peak  7128 spectrum    1 weight  0.10000E+01 volume  0.18630E-02 ppm1      3.909 ppm2      8.420 CV     1
 OR { 7128}
   (( segid "    " and resid 105  and name HA1 ))
   (( segid "    " and resid 107  and name HN  ))
 ASSI { 6185}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 7    and name HD% )
      4.800     2.800     1.200 peak  6185 spectrum    1 weight  0.10000E+01 volume  0.12190E-03 ppm1      8.460 ppm2      7.076 CV     1
 ASSI { 6186}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 7    and name HD% )
      3.800     1.800     1.800 peak  6186 spectrum    1 weight  0.10000E+01 volume  0.66768E-03 ppm1      8.656 ppm2      7.078 CV     1
 ASSI { 7130}
   (( segid "    " and resid 106  and name HG1 ))
   (( segid "    " and resid 107  and name HN  ))
      3.900     1.900     1.900 peak  7130 spectrum    1 weight  0.10000E+01 volume  0.62584E-03 ppm1      2.165 ppm2      8.419 CV     1
 OR { 7130}
   (( segid "    " and resid 106  and name HG2 ))
   (( segid "    " and resid 107  and name HN  ))
 ASSI { 8870}
   (( segid "    " and resid 45   and name HA2 ))
   (  segid "    " and resid 71   and name HD1%)
      5.400     3.700     0.600 peak  8870 spectrum    1 weight  0.10000E+01 volume  0.11644E-03 ppm1      4.811 ppm2      0.600 CV     1
 ASSI { 7131}
   (( segid "    " and resid 106  and name HB2 ))
   (( segid "    " and resid 107  and name HN  ))
      4.800     2.900     1.200 peak  7131 spectrum    1 weight  0.10000E+01 volume  0.92783E-04 ppm1      1.978 ppm2      8.419 CV     1
 ASSI { 7132}
   (( segid "    " and resid 106  and name HB1 ))
   (( segid "    " and resid 107  and name HN  ))
      2.900     1.000     1.000 peak  7132 spectrum    1 weight  0.10000E+01 volume  0.26234E-02 ppm1      1.897 ppm2      8.421 CV     1
 ASSI { 8872}
   (( segid "    " and resid 45   and name HA2 ))
   (  segid "    " and resid 71   and name HD2%)
      3.800     1.800     1.800 peak  8872 spectrum    1 weight  0.10000E+01 volume  0.96606E-03 ppm1      4.810 ppm2      0.735 CV     1
 ASSI { 7133}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HN  ))
      2.300     0.600     0.600 peak  7133 spectrum    1 weight  0.10000E+01 volume  0.80341E-02 ppm1      4.148 ppm2      8.237 CV     1
 ASSI { 7134}
   (( segid "    " and resid 106  and name HG1 ))
   (( segid "    " and resid 106  and name HN  ))
      2.600     0.900     0.900 peak  7134 spectrum    1 weight  0.10000E+01 volume  0.39316E-02 ppm1      2.168 ppm2      8.237 CV     1
 OR { 7134}
   (( segid "    " and resid 106  and name HG2 ))
   (( segid "    " and resid 106  and name HN  ))
 ASSI { 7135}
   (( segid "    " and resid 106  and name HB2 ))
   (( segid "    " and resid 106  and name HN  ))
      2.500     0.800     0.800 peak  7135 spectrum    1 weight  0.10000E+01 volume  0.41517E-02 ppm1      1.975 ppm2      8.236 CV     1
 ASSI { 7136}
   (( segid "    " and resid 106  and name HB1 ))
   (( segid "    " and resid 106  and name HN  ))
      3.000     1.100     1.100 peak  7136 spectrum    1 weight  0.10000E+01 volume  0.29291E-02 ppm1      1.897 ppm2      8.237 CV     1
 ASSI { 7138}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 105  and name HN  ))
      2.600     0.800     0.800 peak  7138 spectrum    1 weight  0.10000E+01 volume  0.35767E-02 ppm1      4.191 ppm2      8.368 CV     1
 ASSI { 6192}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 7    and name HE% )
      5.400     3.700     0.600 peak  6192 spectrum    1 weight  0.10000E+01 volume  0.18921E-03 ppm1      8.856 ppm2      6.618 CV     1
 ASSI { 6194}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 7    and name HD% )
      2.700     2.700     3.300 peak  6194 spectrum    1 weight  0.10000E+01 volume  0.58727E-02 ppm1      9.070 ppm2      7.078 CV     1
 ASSI { 6196}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 7    and name HE% )
      5.800     4.200     0.200 peak  6196 spectrum    1 weight  0.10000E+01 volume  0.81870E-04 ppm1      7.737 ppm2      6.617 CV     1
 ASSI { 7140}
   (( segid "    " and resid 104  and name HG1 ))
   (( segid "    " and resid 104  and name HN  ))
      3.200     1.200     1.200 peak  7140 spectrum    1 weight  0.10000E+01 volume  0.21777E-02 ppm1      2.183 ppm2      8.360 CV     1
 OR { 7140}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 104  and name HN  ))
 ASSI { 7141}
   (( segid "    " and resid 104  and name HB2 ))
   (( segid "    " and resid 104  and name HN  ))
      2.900     1.000     1.000 peak  7141 spectrum    1 weight  0.10000E+01 volume  0.27617E-02 ppm1      1.973 ppm2      8.361 CV     1
 ASSI { 7142}
   (( segid "    " and resid 104  and name HB1 ))
   (( segid "    " and resid 104  and name HN  ))
      2.800     1.000     1.000 peak  7142 spectrum    1 weight  0.10000E+01 volume  0.24233E-02 ppm1      1.868 ppm2      8.361 CV     1
 ASSI { 7145}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 102  and name HN  ))
      4.300     2.300     1.700 peak  7145 spectrum    1 weight  0.10000E+01 volume  0.20013E-03 ppm1      8.238 ppm2      7.103 CV     1
 ASSI { 7146}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 66   and name HD2 ))
      2.400     0.700     0.700 peak  7146 spectrum    1 weight  0.10000E+01 volume  0.56308E-02 ppm1      3.075 ppm2      7.093 CV     1
 OR { 7146}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HD2 ))
 ASSI { 7147}
   (( segid "    " and resid 101  and name HG1 ))
   (( segid "    " and resid 102  and name HN  ))
      5.300     3.500     0.700 peak  7147 spectrum    1 weight  0.10000E+01 volume  0.18193E-03 ppm1      0.315 ppm2      7.097 CV     1
 ASSI { 8887}
   (( segid "    " and resid 93   and name HB2 ))
   (  segid "    " and resid 92   and name HG1%)
      2.300     2.300     3.700 peak  8887 spectrum    1 weight  0.10000E+01 volume  0.18258E-01 ppm1      2.144 ppm2      0.828 CV     1
 ASSI { 8893}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 8    and name HG1%)
      5.000     3.100     1.000 peak  8893 spectrum    1 weight  0.10000E+01 volume  0.83690E-04 ppm1      1.682 ppm2      0.211 CV     1
 ASSI { 8105}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      3.600     1.600     1.600 peak  8105 spectrum    1 weight  0.10000E+01 volume  0.36750E-03 ppm1      7.759 ppm2      3.298 CV     1
 ASSI { 6502}
   (( segid "    " and resid 128  and name HA  ))
   (( segid "    " and resid 128  and name HN  ))
      3.900     1.900     1.900 peak  6502 spectrum    1 weight  0.10000E+01 volume  0.29655E-03 ppm1      4.539 ppm2      8.333 CV     1
 ASSI { 8106}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      3.900     1.900     1.900 peak  8106 spectrum    1 weight  0.10000E+01 volume  0.26380E-03 ppm1      7.977 ppm2      3.299 CV     1
 ASSI { 8107}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      4.700     2.800     1.300 peak  8107 spectrum    1 weight  0.10000E+01 volume  0.23469E-03 ppm1      8.169 ppm2      3.293 CV     1
 ASSI { 6510}
   (( segid "    " and resid 72   and name HE1 ))
   (( segid "    " and resid 69   and name HN  ))
      3.400     3.400     2.600 peak  6510 spectrum    1 weight  0.10000E+01 volume  0.29837E-03 ppm1      7.343 ppm2      8.072 CV     1
 ASSI { 8114}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      4.800     2.800     1.200 peak  8114 spectrum    1 weight  0.10000E+01 volume  0.94603E-04 ppm1      8.564 ppm2      3.473 CV     1
 ASSI { 6516}
   (( segid "    " and resid 72   and name HE1 ))
   (( segid "    " and resid 70   and name HN  ))
      4.200     2.200     1.800 peak  6516 spectrum    1 weight  0.10000E+01 volume  0.25106E-03 ppm1      7.343 ppm2      8.658 CV     1
 ASSI { 7172}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      3.500     1.500     1.500 peak  7172 spectrum    1 weight  0.10000E+01 volume  0.10315E-02 ppm1      7.873 ppm2      7.462 CV     1
 ASSI { 7173}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 90   and name HN  ))
      2.700     0.900     0.900 peak  7173 spectrum    1 weight  0.10000E+01 volume  0.19812E-02 ppm1      7.634 ppm2      7.527 CV     1
 ASSI { 6518}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 7    and name HN  ))
      4.900     3.000     1.100 peak  6518 spectrum    1 weight  0.10000E+01 volume  0.12735E-03 ppm1      5.964 ppm2      8.860 CV     1
 ASSI { 6519}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 75   and name HN  ))
      6.000     5.500     0.000 peak  6519 spectrum    1 weight  0.10000E+01 volume  0.52760E-04 ppm1      5.966 ppm2      8.838 CV     1
 ASSI { 8123}
   (  segid "    " and resid 18   and name HE% )
   (( segid "    " and resid 21   and name HD1 ))
      4.500     2.500     1.500 peak  8123 spectrum    1 weight  0.10000E+01 volume  0.22014E-03 ppm1      7.374 ppm2      3.248 CV     1
 ASSI { 8126}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 92   and name HA  ))
      3.000     3.000     3.000 peak  8126 spectrum    1 weight  0.10000E+01 volume  0.21395E-02 ppm1      3.875 ppm2      3.220 CV     1
 ASSI { 8127}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 95   and name HA  ))
      3.300     3.300     2.700 peak  8127 spectrum    1 weight  0.10000E+01 volume  0.10716E-02 ppm1      3.684 ppm2      3.473 CV     1
 ASSI { 8129}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 92   and name HA  ))
      5.000     3.100     1.000 peak  8129 spectrum    1 weight  0.10000E+01 volume  0.22014E-03 ppm1      3.472 ppm2      3.222 CV     1
 ASSI { 6529}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 66   and name HD2 ))
      3.800     3.800     2.200 peak  6529 spectrum    1 weight  0.10000E+01 volume  0.52760E-03 ppm1      8.988 ppm2      7.092 CV     1
 ASSI { 6535}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      4.500     2.500     1.500 peak  6535 spectrum    1 weight  0.10000E+01 volume  0.26744E-03 ppm1      9.256 ppm2      8.625 CV     1
 ASSI { 7198}
   (( segid "    " and resid 97   and name HD1 ))
   (( segid "    " and resid 97   and name HN  ))
      3.300     1.400     1.400 peak  7198 spectrum    1 weight  0.10000E+01 volume  0.21650E-02 ppm1      1.640 ppm2      7.038 CV     1
 OR { 7198}
   (( segid "    " and resid 97   and name HD2 ))
   (( segid "    " and resid 97   and name HN  ))
 ASSI { 8143}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 19   and name HA  ))
      3.800     1.800     1.800 peak  8143 spectrum    1 weight  0.10000E+01 volume  0.44027E-03 ppm1      2.829 ppm2      3.301 CV     1
 OR { 8143}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 19   and name HA  ))
 ASSI { 8146}
   (( segid "    " and resid 19   and name HB  ))
   (( segid "    " and resid 19   and name HA  ))
      2.600     0.800     0.800 peak  8146 spectrum    1 weight  0.10000E+01 volume  0.33857E-02 ppm1      1.967 ppm2      3.315 CV     1
 ASSI { 6545}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 108  and name HN  ))
      2.900     1.100     1.100 peak  6545 spectrum    1 weight  0.10000E+01 volume  0.19121E-02 ppm1      4.483 ppm2      8.153 CV     1
 ASSI { 8149}
   (( segid "    " and resid 98   and name HB2 ))
   (( segid "    " and resid 21   and name HD1 ))
      3.100     3.100     2.900 peak  8149 spectrum    1 weight  0.10000E+01 volume  0.25015E-02 ppm1      1.967 ppm2      3.263 CV     1
 ASSI { 6549}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      2.700     0.900     0.900 peak  6549 spectrum    1 weight  0.10000E+01 volume  0.28308E-02 ppm1      4.525 ppm2      8.072 CV     1
 ASSI { 8150}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 64   and name HB2 ))
      2.700     2.700     3.300 peak  8150 spectrum    1 weight  0.10000E+01 volume  0.39424E-02 ppm1      1.971 ppm2      3.342 CV     1
 OR { 8150}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 64   and name HB2 ))
 ASSI { 6551}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      2.800     1.000     1.000 peak  6551 spectrum    1 weight  0.10000E+01 volume  0.20795E-02 ppm1      4.528 ppm2      8.573 CV     1
 ASSI { 8157}
   (  segid "    " and resid 102  and name HB% )
   (( segid "    " and resid 21   and name HD2 ))
      3.600     3.600     2.400 peak  8157 spectrum    1 weight  0.10000E+01 volume  0.22014E-03 ppm1      1.207 ppm2      3.310 CV     1
 ASSI { 9101}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      2.400     0.700     0.700 peak  9101 spectrum    1 weight  0.10000E+01 volume  0.45446E-02 ppm1      8.137 ppm2      4.004 CV     1
 ASSI { 9103}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      2.400     2.400     3.600 peak  9103 spectrum    1 weight  0.10000E+01 volume  0.54925E-02 ppm1      4.069 ppm2      8.055 CV     1
 ASSI { 7500}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 21   and name HE  ))
      3.100     1.200     1.200 peak  7500 spectrum    1 weight  0.10000E+01 volume  0.10315E-02 ppm1      3.312 ppm2      7.455 CV     1
 ASSI { 9105}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 123  and name HB  ))
      2.100     0.500     0.500 peak  9105 spectrum    1 weight  0.10000E+01 volume  0.10592E-01 ppm1      8.050 ppm2      4.103 CV     1
 ASSI { 7501}
   (( segid "    " and resid 21   and name HD1 ))
   (( segid "    " and resid 21   and name HE  ))
      3.000     1.100     1.100 peak  7501 spectrum    1 weight  0.10000E+01 volume  0.11789E-02 ppm1      3.237 ppm2      7.455 CV     1
 ASSI { 7502}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 16   and name HN  ))
      2.700     0.900     0.900 peak  7502 spectrum    1 weight  0.10000E+01 volume  0.19012E-02 ppm1      2.966 ppm2      7.455 CV     1
 ASSI { 7503}
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 16   and name HN  ))
      3.500     1.600     1.600 peak  7503 spectrum    1 weight  0.10000E+01 volume  0.11443E-02 ppm1      2.571 ppm2      7.455 CV     1
 ASSI { 7505}
   (( segid "    " and resid 57   and name HG1 ))
   (( segid "    " and resid 57   and name HN  ))
      2.800     1.000     1.000 peak  7505 spectrum    1 weight  0.10000E+01 volume  0.26835E-02 ppm1      2.236 ppm2      7.455 CV     1
 ASSI { 7506}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 57   and name HN  ))
      2.200     0.600     0.600 peak  7506 spectrum    1 weight  0.10000E+01 volume  0.58291E-02 ppm1      2.040 ppm2      7.455 CV     1
 ASSI { 6560}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HN  ))
      4.700     2.700     1.300 peak  6560 spectrum    1 weight  0.10000E+01 volume  0.78231E-04 ppm1      4.626 ppm2      8.457 CV     1
 ASSI { 8164}
   (  segid "    " and resid 98   and name HD1%)
   (( segid "    " and resid 21   and name HD2 ))
      2.300     2.300     3.700 peak  8164 spectrum    1 weight  0.10000E+01 volume  0.29218E-02 ppm1      0.763 ppm2      3.344 CV     1
 ASSI { 6567}
   (( segid "    " and resid 126  and name HA  ))
   (( segid "    " and resid 127  and name HN  ))
      2.900     1.000     1.000 peak  6567 spectrum    1 weight  0.10000E+01 volume  0.26162E-02 ppm1      4.388 ppm2      8.153 CV     1
 ASSI { 6568}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 124  and name HN  ))
      2.700     0.900     0.900 peak  6568 spectrum    1 weight  0.10000E+01 volume  0.26635E-02 ppm1      4.400 ppm2      7.927 CV     1
 ASSI { 9111}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      2.300     0.700     0.700 peak  9111 spectrum    1 weight  0.10000E+01 volume  0.62657E-02 ppm1      8.121 ppm2      4.068 CV     1
 ASSI { 9112}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.300     0.700     0.700 peak  9112 spectrum    1 weight  0.10000E+01 volume  0.71829E-02 ppm1      8.178 ppm2      4.071 CV     1
 ASSI { 9113}
   (( segid "    " and resid 127  and name HN  ))
   (( segid "    " and resid 127  and name HA  ))
      2.200     0.600     0.600 peak  9113 spectrum    1 weight  0.10000E+01 volume  0.99223E-02 ppm1      8.153 ppm2      4.109 CV     1
 ASSI { 7510}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      4.900     3.000     1.100 peak  7510 spectrum    1 weight  0.10000E+01 volume  0.98243E-04 ppm1      8.011 ppm2      7.710 CV     1
 ASSI { 7511}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      4.600     2.700     1.400 peak  7511 spectrum    1 weight  0.10000E+01 volume  0.14009E-03 ppm1      7.382 ppm2      7.710 CV     1
 ASSI { 7513}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 56   and name HN  ))
      4.000     2.000     2.000 peak  7513 spectrum    1 weight  0.10000E+01 volume  0.65498E-03 ppm1      2.434 ppm2      7.709 CV     1
 ASSI { 9118}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.100     1.200     1.200 peak  9118 spectrum    1 weight  0.10000E+01 volume  0.15628E-02 ppm1      8.039 ppm2      4.356 CV     1
 ASSI { 7523}
   (( segid "    " and resid 57   and name HG1 ))
   (( segid "    " and resid 57   and name HE22))
      3.600     1.700     1.700 peak  7523 spectrum    1 weight  0.10000E+01 volume  0.12317E-02 ppm1      2.238 ppm2      7.325 CV     1
 ASSI { 9128}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.400     3.400     2.600 peak  9128 spectrum    1 weight  0.10000E+01 volume  0.21213E-02 ppm1      8.189 ppm2      4.362 CV     1
 ASSI { 7524}
   (( segid "    " and resid 57   and name HG2 ))
   (( segid "    " and resid 57   and name HE22))
      3.500     1.500     1.500 peak  7524 spectrum    1 weight  0.10000E+01 volume  0.15300E-02 ppm1      2.362 ppm2      7.325 CV     1
 ASSI { 9129}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      2.800     1.000     1.000 peak  9129 spectrum    1 weight  0.10000E+01 volume  0.21395E-02 ppm1      8.120 ppm2      4.359 CV     1
 ASSI { 7526}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 72   and name HE1 ))
      2.500     2.500     3.500 peak  7526 spectrum    1 weight  0.10000E+01 volume  0.21704E-02 ppm1      1.584 ppm2      7.325 CV     1
 ASSI { 7527}
   (( segid "    " and resid 54   and name HG2 ))
   (( segid "    " and resid 57   and name HE22))
      5.100     3.300     0.900 peak  7527 spectrum    1 weight  0.10000E+01 volume  0.39843E-03 ppm1      1.273 ppm2      7.324 CV     1
 ASSI { 7528}
   (( segid "    " and resid 54   and name HG1 ))
   (( segid "    " and resid 57   and name HE21))
      3.900     1.900     1.900 peak  7528 spectrum    1 weight  0.10000E+01 volume  0.56399E-03 ppm1      1.145 ppm2      6.706 CV     1
 ASSI { 8185}
   (( segid "    " and resid 48   and name HB1 ))
   (  segid "    " and resid 19   and name HG2%)
      2.900     2.900     3.100 peak  8185 spectrum    1 weight  0.10000E+01 volume  0.72044E-03 ppm1      3.418 ppm2      0.986 CV     1
 OR { 8185}
   (( segid "    " and resid 48   and name HB2 ))
   (  segid "    " and resid 19   and name HG2%)
 ASSI { 9133}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 108  and name HB2 ))
      2.800     0.900     0.900 peak  9133 spectrum    1 weight  0.10000E+01 volume  0.26471E-02 ppm1      8.152 ppm2      3.839 CV     1
 OR { 9133}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 108  and name HB1 ))
 ASSI { 9139}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      3.500     1.500     1.500 peak  9139 spectrum    1 weight  0.10000E+01 volume  0.72411E-03 ppm1      8.144 ppm2      3.686 CV     1
 ASSI { 7537}
   (( segid "    " and resid 54   and name HG1 ))
   (( segid "    " and resid 55   and name HN  ))
      4.100     2.100     1.900 peak  7537 spectrum    1 weight  0.10000E+01 volume  0.69497E-03 ppm1      1.121 ppm2      7.871 CV     1
 ASSI { 7538}
   (  segid "    " and resid 119  and name HG2%)
   (( segid "    " and resid 117  and name HN  ))
      5.300     3.500     0.700 peak  7538 spectrum    1 weight  0.10000E+01 volume  0.21832E-04 ppm1      0.945 ppm2      7.872 CV     1
 ASSI { 8196}
   (( segid "    " and resid 20   and name HA2 ))
   (  segid "    " and resid 19   and name HG2%)
      3.300     3.300     2.700 peak  8196 spectrum    1 weight  0.10000E+01 volume  0.18502E-02 ppm1      3.765 ppm2      0.986 CV     1
 ASSI { 7540}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 32   and name HE22))
      6.000     6.000     0.000 peak  7540 spectrum    1 weight  0.10000E+01 volume  0.25470E-04 ppm1      8.538 ppm2      7.592 CV     1
 ASSI { 9145}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 105  and name HA2 ))
      2.700     0.900     0.900 peak  9145 spectrum    1 weight  0.10000E+01 volume  0.26871E-02 ppm1      8.242 ppm2      3.913 CV     1
 ASSI { 7541}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      5.200     3.300     0.800 peak  7541 spectrum    1 weight  0.10000E+01 volume  0.89144E-04 ppm1      8.632 ppm2      7.592 CV     1
 ASSI { 7543}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      4.800     2.800     1.200 peak  7543 spectrum    1 weight  0.10000E+01 volume  0.18193E-03 ppm1      4.449 ppm2      7.589 CV     1
 ASSI { 9153}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 127  and name HA  ))
      3.000     1.100     1.100 peak  9153 spectrum    1 weight  0.10000E+01 volume  0.17975E-02 ppm1      8.332 ppm2      4.103 CV     1
 ASSI { 9156}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 120  and name HA  ))
      2.000     0.500     0.500 peak  9156 spectrum    1 weight  0.10000E+01 volume  0.10392E-01 ppm1      8.230 ppm2      4.143 CV     1
 ASSI { 7552}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 54   and name HN  ))
      3.200     1.300     1.300 peak  7552 spectrum    1 weight  0.10000E+01 volume  0.71317E-03 ppm1      1.392 ppm2      7.592 CV     1
 ASSI { 9157}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HA  ))
      2.200     0.600     0.600 peak  9157 spectrum    1 weight  0.10000E+01 volume  0.87033E-02 ppm1      8.238 ppm2      4.198 CV     1
 ASSI { 7557}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HN  ))
      2.100     0.500     0.500 peak  7557 spectrum    1 weight  0.10000E+01 volume  0.41426E-02 ppm1      1.394 ppm2      8.023 CV     1
 ASSI { 7558}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HN  ))
      3.500     1.500     1.500 peak  7558 spectrum    1 weight  0.10000E+01 volume  0.17411E-02 ppm1      1.274 ppm2      8.022 CV     1
 ASSI { 6901}
   (( segid "    " and resid 105  and name HA2 ))
   (( segid "    " and resid 106  and name HN  ))
      2.700     0.900     0.900 peak  6901 spectrum    1 weight  0.10000E+01 volume  0.30200E-02 ppm1      3.906 ppm2      8.239 CV     1
 OR { 6901}
   (( segid "    " and resid 105  and name HA1 ))
   (( segid "    " and resid 106  and name HN  ))
 ASSI { 6903}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      2.500     0.800     0.800 peak  6903 spectrum    1 weight  0.10000E+01 volume  0.28527E-02 ppm1      3.930 ppm2      8.460 CV     1
 ASSI { 6904}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 92   and name HN  ))
      3.100     1.200     1.200 peak  6904 spectrum    1 weight  0.10000E+01 volume  0.12171E-02 ppm1      3.803 ppm2      8.721 CV     1
 ASSI { 6905}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 92   and name HN  ))
      3.000     3.000     3.000 peak  6905 spectrum    1 weight  0.10000E+01 volume  0.21159E-02 ppm1      4.061 ppm2      8.719 CV     1
 ASSI { 6906}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 76   and name HN  ))
      3.000     1.100     1.100 peak  6906 spectrum    1 weight  0.10000E+01 volume  0.15973E-02 ppm1      3.984 ppm2      8.697 CV     1
 ASSI { 8511}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 63   and name HB1 ))
      5.600     3.900     0.400 peak  8511 spectrum    1 weight  0.10000E+01 volume  0.10370E-03 ppm1      3.812 ppm2      2.612 CV     1
 ASSI { 8512}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      3.700     1.700     1.700 peak  8512 spectrum    1 weight  0.10000E+01 volume  0.62766E-03 ppm1      4.003 ppm2      2.581 CV     1
 ASSI { 6915}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      4.000     2.000     2.000 peak  6915 spectrum    1 weight  0.10000E+01 volume  0.48030E-03 ppm1      4.339 ppm2      8.913 CV     1
 ASSI { 9178}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      3.300     1.300     1.300 peak  9178 spectrum    1 weight  0.10000E+01 volume  0.70041E-03 ppm1      8.588 ppm2      4.274 CV     1
 ASSI { 6919}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 3    and name HE21))
      5.500     3.800     0.500 peak  6919 spectrum    1 weight  0.10000E+01 volume  0.50941E-04 ppm1      0.925 ppm2      6.598 CV     1
 ASSI { 7579}
   (  segid "    " and resid 71   and name HD1%)
   (( segid "    " and resid 48   and name HN  ))
      3.900     1.900     1.900 peak  7579 spectrum    1 weight  0.10000E+01 volume  0.13645E-03 ppm1      0.590 ppm2      8.421 CV     1
 ASSI { 6920}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      4.300     2.300     1.700 peak  6920 spectrum    1 weight  0.10000E+01 volume  0.25470E-03 ppm1      8.293 ppm2      7.253 CV     1
 ASSI { 8525}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HB1 ))
      1.900     0.500     0.500 peak  8525 spectrum    1 weight  0.10000E+01 volume  0.95330E-02 ppm1      2.730 ppm2      2.576 CV     1
 ASSI { 6922}
   (( segid "    " and resid 3    and name HG2 ))
   (( segid "    " and resid 3    and name HE22))
      3.300     1.400     1.400 peak  6922 spectrum    1 weight  0.10000E+01 volume  0.17848E-02 ppm1      2.118 ppm2      7.363 CV     1
 ASSI { 6923}
   (( segid "    " and resid 3    and name HG1 ))
   (( segid "    " and resid 3    and name HE22))
      3.000     1.100     1.100 peak  6923 spectrum    1 weight  0.10000E+01 volume  0.33803E-02 ppm1      1.983 ppm2      7.362 CV     1
 ASSI { 6924}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 3    and name HE22))
      2.900     1.100     1.100 peak  6924 spectrum    1 weight  0.10000E+01 volume  0.25143E-02 ppm1      0.927 ppm2      7.362 CV     1
 ASSI { 9186}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      3.000     1.100     1.100 peak  9186 spectrum    1 weight  0.10000E+01 volume  0.17865E-02 ppm1      8.523 ppm2      4.104 CV     1
 ASSI { 6928}
   (  segid "    " and resid 102  and name HB% )
   (( segid "    " and resid 104  and name HN  ))
      3.800     1.800     1.800 peak  6928 spectrum    1 weight  0.10000E+01 volume  0.70591E-03 ppm1      1.211 ppm2      8.361 CV     1
 ASSI { 6932}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HN  ))
      2.400     0.700     0.700 peak  6932 spectrum    1 weight  0.10000E+01 volume  0.39443E-02 ppm1      1.313 ppm2      8.293 CV     1
 ASSI { 6935}
   (  segid "    " and resid 71   and name HD1%)
   (( segid "    " and resid 19   and name HN  ))
      4.000     2.000     2.000 peak  6935 spectrum    1 weight  0.10000E+01 volume  0.39843E-03 ppm1      0.584 ppm2      8.269 CV     1
 ASSI { 9197}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      2.700     0.900     0.900 peak  9197 spectrum    1 weight  0.10000E+01 volume  0.19922E-02 ppm1      8.625 ppm2      3.890 CV     1
 ASSI { 6937}
   (( segid "    " and resid 44   and name HG1 ))
   (( segid "    " and resid 42   and name HN  ))
      4.000     2.000     2.000 peak  6937 spectrum    1 weight  0.10000E+01 volume  0.48212E-03 ppm1      0.482 ppm2      8.623 CV     1
 ASSI { 7597}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 42   and name HN  ))
      2.600     0.800     0.800 peak  7597 spectrum    1 weight  0.10000E+01 volume  0.17902E-02 ppm1      2.408 ppm2      8.624 CV     1
 ASSI { 8541}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 37   and name HA  ))
      3.000     3.000     3.000 peak  8541 spectrum    1 weight  0.10000E+01 volume  0.18521E-02 ppm1      3.656 ppm2      4.342 CV     1
 ASSI { 8556}
   (( segid "    " and resid 62   and name HD1 ))
   (( segid "    " and resid 65   and name HA  ))
      3.600     3.600     2.400 peak  8556 spectrum    1 weight  0.10000E+01 volume  0.14700E-02 ppm1      3.577 ppm2      3.880 CV     1
 OR { 8556}
   (( segid "    " and resid 62   and name HD2 ))
   (( segid "    " and resid 65   and name HA  ))
 ASSI { 6952}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 41   and name HN  ))
      4.900     3.000     1.100 peak  6952 spectrum    1 weight  0.10000E+01 volume  0.96423E-04 ppm1      1.947 ppm2      9.256 CV     1
 ASSI { 6958}
   (( segid "    " and resid 128  and name HB1 ))
   (( segid "    " and resid 128  and name HN  ))
      3.100     1.200     1.200 peak  6958 spectrum    1 weight  0.10000E+01 volume  0.12499E-02 ppm1      2.641 ppm2      8.333 CV     1
 ASSI { 6959}
   (( segid "    " and resid 128  and name HB2 ))
   (( segid "    " and resid 128  and name HN  ))
      3.300     1.300     1.300 peak  6959 spectrum    1 weight  0.10000E+01 volume  0.75140E-03 ppm1      2.739 ppm2      8.332 CV     1
 ASSI { 9503}
   (  segid "    " and resid 102  and name HB% )
   (( segid "    " and resid 100  and name HN  ))
      2.500     2.500     3.500 peak  9503 spectrum    1 weight  0.10000E+01 volume  0.18320E-02 ppm1      1.210 ppm2      6.864 CV     1
 ASSI { 9504}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 8    and name HA  ))
      3.000     1.100     1.100 peak  9504 spectrum    1 weight  0.10000E+01 volume  0.18320E-02 ppm1      0.571 ppm2      3.883 CV     1
 ASSI { 9505}
   (  segid "    " and resid 99   and name HD1%)
   (( segid "    " and resid 98   and name HA  ))
      3.200     3.200     2.800 peak  9505 spectrum    1 weight  0.10000E+01 volume  0.18320E-02 ppm1      0.578 ppm2      4.165 CV     1
 ASSI { 7901}
   (( segid "    " and resid 112  and name HG1 ))
   (( segid "    " and resid 112  and name HA  ))
      2.400     0.700     0.700 peak  7901 spectrum    1 weight  0.10000E+01 volume  0.38551E-02 ppm1      2.497 ppm2      4.217 CV     1
 ASSI { 9506}
   (  segid "    " and resid 75   and name HG2%)
   (  segid "    " and resid 41   and name HG2%)
      3.400     1.400     1.400 peak  9506 spectrum    1 weight  0.10000E+01 volume  0.18320E-02 ppm1      0.681 ppm2      0.485 CV     1
 ASSI { 8561}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 9    and name HG2 ))
      3.700     1.700     1.700 peak  8561 spectrum    1 weight  0.10000E+01 volume  0.99153E-03 ppm1      3.560 ppm2      2.255 CV     1
 ASSI { 7905}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 37   and name HB  ))
      2.500     0.800     0.800 peak  7905 spectrum    1 weight  0.10000E+01 volume  0.10155E-01 ppm1      1.735 ppm2      4.231 CV     1
 ASSI { 7907}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 54   and name HA  ))
      2.600     0.900     0.900 peak  7907 spectrum    1 weight  0.10000E+01 volume  0.31638E-02 ppm1      1.268 ppm2      3.756 CV     1
 ASSI { 8564}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 56   and name HG1 ))
      3.200     3.200     2.800 peak  8564 spectrum    1 weight  0.10000E+01 volume  0.27672E-02 ppm1      3.687 ppm2      2.173 CV     1
 ASSI { 7908}
   (( segid "    " and resid 98   and name HB1 ))
   (( segid "    " and resid 95   and name HA  ))
      4.500     2.500     1.500 peak  7908 spectrum    1 weight  0.10000E+01 volume  0.33111E-03 ppm1      1.394 ppm2      3.475 CV     1
 ASSI { 8565}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 93   and name HG2 ))
      2.800     2.800     3.200 peak  8565 spectrum    1 weight  0.10000E+01 volume  0.29473E-02 ppm1      3.797 ppm2      2.331 CV     1
 OR { 8565}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 93   and name HG1 ))
 ASSI { 6961}
   (( segid "    " and resid 121  and name HB1 ))
   (( segid "    " and resid 121  and name HN  ))
      3.400     1.400     1.400 peak  6961 spectrum    1 weight  0.10000E+01 volume  0.95513E-03 ppm1      2.778 ppm2      8.239 CV     1
 OR { 6961}
   (( segid "    " and resid 121  and name HB2 ))
   (( segid "    " and resid 121  and name HN  ))
 ASSI { 7909}
   (( segid "    " and resid 96   and name HB2 ))
   (( segid "    " and resid 95   and name HA  ))
      4.100     2.100     1.900 peak  7909 spectrum    1 weight  0.10000E+01 volume  0.65314E-03 ppm1      1.759 ppm2      3.470 CV     1
 OR { 7909}
   (( segid "    " and resid 96   and name HB1 ))
   (( segid "    " and resid 95   and name HA  ))
 ASSI { 6962}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 63   and name HN  ))
      3.500     1.500     1.500 peak  6962 spectrum    1 weight  0.10000E+01 volume  0.96057E-03 ppm1      2.610 ppm2      8.770 CV     1
 ASSI { 8568}
   (( segid "    " and resid 116  and name HA  ))
   (( segid "    " and resid 112  and name HG1 ))
      3.900     3.900     2.100 peak  8568 spectrum    1 weight  0.10000E+01 volume  0.22832E-02 ppm1      3.992 ppm2      2.496 CV     1
 ASSI { 6965}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 64   and name HN  ))
      2.900     1.100     1.100 peak  6965 spectrum    1 weight  0.10000E+01 volume  0.95697E-03 ppm1      2.977 ppm2      8.040 CV     1
 ASSI { 6966}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 61   and name HN  ))
      4.200     2.200     1.800 peak  6966 spectrum    1 weight  0.10000E+01 volume  0.97516E-03 ppm1      2.884 ppm2      7.836 CV     1
 ASSI { 6968}
   (( segid "    " and resid 126  and name HB2 ))
   (( segid "    " and resid 129  and name HN  ))
      3.600     3.600     2.400 peak  6968 spectrum    1 weight  0.10000E+01 volume  0.10807E-02 ppm1      2.639 ppm2      7.824 CV     1
 ASSI { 6969}
   (( segid "    " and resid 126  and name HB2 ))
   (( segid "    " and resid 126  and name HN  ))
      2.600     0.900     0.900 peak  6969 spectrum    1 weight  0.10000E+01 volume  0.35386E-02 ppm1      2.634 ppm2      8.054 CV     1
 ASSI { 7910}
   (( segid "    " and resid 95   and name HB  ))
   (( segid "    " and resid 95   and name HA  ))
      3.200     1.300     1.300 peak  7910 spectrum    1 weight  0.10000E+01 volume  0.97516E-03 ppm1      1.903 ppm2      3.471 CV     1
 ASSI { 8572}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 128  and name HB1 ))
      3.400     1.400     1.400 peak  8572 spectrum    1 weight  0.10000E+01 volume  0.95880E-03 ppm1      4.104 ppm2      2.650 CV     1
 ASSI { 7917}
   (( segid "    " and resid 101  and name HA  ))
   (  segid "    " and resid 102  and name HB% )
      3.800     1.800     1.800 peak  7917 spectrum    1 weight  0.10000E+01 volume  0.47120E-03 ppm1      3.072 ppm2      1.212 CV     1
 ASSI { 6970}
   (( segid "    " and resid 107  and name HB1 ))
   (( segid "    " and resid 108  and name HN  ))
      3.100     1.200     1.200 peak  6970 spectrum    1 weight  0.10000E+01 volume  0.13536E-02 ppm1      2.626 ppm2      8.154 CV     1
 OR { 6970}
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 108  and name HN  ))
 ASSI { 6971}
   (( segid "    " and resid 112  and name HG1 ))
   (( segid "    " and resid 108  and name HN  ))
      2.400     2.400     3.600 peak  6971 spectrum    1 weight  0.10000E+01 volume  0.26617E-02 ppm1      2.507 ppm2      8.154 CV     1
 ASSI { 6972}
   (( segid "    " and resid 126  and name HB1 ))
   (( segid "    " and resid 126  and name HN  ))
      2.500     0.800     0.800 peak  6972 spectrum    1 weight  0.10000E+01 volume  0.41189E-02 ppm1      2.515 ppm2      8.055 CV     1
 ASSI { 8578}
   (( segid "    " and resid 93   and name HG2 ))
   (( segid "    " and resid 90   and name HA  ))
      2.300     2.300     3.700 peak  8578 spectrum    1 weight  0.10000E+01 volume  0.86509E-02 ppm1      2.332 ppm2      4.067 CV     1
 OR { 8578}
   (( segid "    " and resid 93   and name HG1 ))
   (( segid "    " and resid 90   and name HA  ))
 ASSI { 6974}
   (( segid "    " and resid 112  and name HG2 ))
   (( segid "    " and resid 112  and name HN  ))
      3.300     1.300     1.300 peak  6974 spectrum    1 weight  0.10000E+01 volume  0.27890E-02 ppm1      2.576 ppm2      8.013 CV     1
 ASSI { 7921}
   (( segid "    " and resid 29   and name HA  ))
   (  segid "    " and resid 41   and name HG2%)
      4.700     2.700     1.300 peak  7921 spectrum    1 weight  0.10000E+01 volume  0.21468E-03 ppm1      3.941 ppm2      0.481 CV     1
 ASSI { 7922}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 41   and name HG2%)
      5.600     3.900     0.400 peak  7922 spectrum    1 weight  0.10000E+01 volume  0.11462E-03 ppm1      5.057 ppm2      0.482 CV     1
 ASSI { 8583}
   (( segid "    " and resid 126  and name HB1 ))
   (( segid "    " and resid 124  and name HA  ))
      3.100     3.100     2.900 peak  8583 spectrum    1 weight  0.10000E+01 volume  0.17265E-02 ppm1      2.517 ppm2      4.388 CV     1
 ASSI { 6980}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 89   and name HN  ))
      2.600     0.900     0.900 peak  6980 spectrum    1 weight  0.10000E+01 volume  0.26580E-02 ppm1      3.803 ppm2      7.633 CV     1
 ASSI { 8585}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 20   and name HA2 ))
      4.100     2.100     1.900 peak  8585 spectrum    1 weight  0.10000E+01 volume  0.10789E-02 ppm1      2.622 ppm2      3.748 CV     1
 ASSI { 7930}
   (( segid "    " and resid 101  and name HG1 ))
   (  segid "    " and resid 102  and name HB% )
      4.900     3.000     1.100 peak  7930 spectrum    1 weight  0.10000E+01 volume  0.35477E-03 ppm1      0.315 ppm2      1.218 CV     1
 ASSI { 7931}
   (( segid "    " and resid 101  and name HG1 ))
   (( segid "    " and resid 100  and name HB  ))
      5.000     3.200     1.000 peak  7931 spectrum    1 weight  0.10000E+01 volume  0.31474E-03 ppm1      0.317 ppm2      1.918 CV     1
 ASSI { 7935}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 75   and name HN  ))
      6.000     4.400     0.000 peak  7935 spectrum    1 weight  0.10000E+01 volume  0.85510E-04 ppm1      0.481 ppm2      8.838 CV     1
 ASSI { 7938}
   (( segid "    " and resid 44   and name HG1 ))
   (( segid "    " and resid 3    and name HE22))
      5.800     4.300     0.200 peak  7938 spectrum    1 weight  0.10000E+01 volume  0.11280E-03 ppm1      0.483 ppm2      7.350 CV     1
 ASSI { 8598}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 10   and name HB  ))
      2.800     2.800     3.200 peak  8598 spectrum    1 weight  0.10000E+01 volume  0.62748E-02 ppm1      3.978 ppm2      2.157 CV     1
 ASSI { 8494}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 46   and name HE1 ))
      2.900     2.900     3.100 peak  8494 spectrum    1 weight  0.10000E+01 volume  0.32457E-02 ppm1      3.966 ppm2      2.905 CV     1
 OR { 8494}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 46   and name HE2 ))
 ASSI { 6994}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 102  and name HN  ))
      2.900     1.000     1.000 peak  6994 spectrum    1 weight  0.10000E+01 volume  0.16392E-02 ppm1      4.140 ppm2      7.100 CV     1
 ASSI { 6996}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HN  ))
      2.800     1.000     1.000 peak  6996 spectrum    1 weight  0.10000E+01 volume  0.23287E-02 ppm1      3.914 ppm2      7.037 CV     1
 ASSI { 6201}
   (( segid "    " and resid 47   and name HA2 ))
   (( segid "    " and resid 47   and name HN  ))
      4.300     2.300     1.700 peak  6201 spectrum    1 weight  0.10000E+01 volume  0.12372E-03 ppm1      4.295 ppm2     10.832 CV     1
 ASSI { 7940}
   (( segid "    " and resid 101  and name HB2 ))
   (( segid "    " and resid 101  and name HA  ))
      3.300     1.400     1.400 peak  7940 spectrum    1 weight  0.10000E+01 volume  0.11007E-02 ppm1      1.050 ppm2      3.074 CV     1
 ASSI { 6203}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      4.800     2.900     1.200 peak  6203 spectrum    1 weight  0.10000E+01 volume  0.67317E-04 ppm1      8.451 ppm2     10.829 CV     1
 ASSI { 6205}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 47   and name HN  ))
      5.800     4.200     0.200 peak  6205 spectrum    1 weight  0.10000E+01 volume  0.70951E-04 ppm1      1.858 ppm2     10.830 CV     1
 OR { 6205}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 47   and name HN  ))
 ASSI { 6207}
   (  segid "    " and resid 16   and name HD% )
   (( segid "    " and resid 15   and name HN  ))
      5.500     3.800     0.500 peak  6207 spectrum    1 weight  0.10000E+01 volume  0.16374E-04 ppm1      5.835 ppm2      8.540 CV     1
 ASSI { 6208}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 3    and name HE22))
      6.000     6.000     0.000 peak  6208 spectrum    1 weight  0.10000E+01 volume  0.50941E-04 ppm1      5.328 ppm2      7.363 CV     1
 ASSI { 6209}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HE22))
      6.000     6.000     0.000 peak  6209 spectrum    1 weight  0.10000E+01 volume  0.30928E-04 ppm1      5.581 ppm2      7.363 CV     1
 ASSI { 6213}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      6.000     5.300     0.000 peak  6213 spectrum    1 weight  0.10000E+01 volume  0.27290E-04 ppm1      5.333 ppm2      8.218 CV     1
 ASSI { 7952}
   (( segid "    " and resid 22   and name HB  ))
   (( segid "    " and resid 19   and name HA  ))
      2.900     1.000     1.000 peak  7952 spectrum    1 weight  0.10000E+01 volume  0.13572E-02 ppm1      1.550 ppm2      3.310 CV     1
 ASSI { 6214}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      6.000     6.000     0.000 peak  6214 spectrum    1 weight  0.10000E+01 volume  0.36386E-05 ppm1      5.332 ppm2      8.045 CV     1
 ASSI { 6215}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 7    and name HD% )
      2.900     1.000     1.000 peak  6215 spectrum    1 weight  0.10000E+01 volume  0.16865E-02 ppm1      4.340 ppm2      7.088 CV     1
 ASSI { 6216}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 7    and name HD% )
      3.700     3.700     2.300 peak  6216 spectrum    1 weight  0.10000E+01 volume  0.98243E-03 ppm1      4.628 ppm2      7.077 CV     1
 ASSI { 7955}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 63   and name HB1 ))
      3.500     3.500     2.500 peak  7955 spectrum    1 weight  0.10000E+01 volume  0.19612E-02 ppm1      1.774 ppm2      2.610 CV     1
 ASSI { 6217}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 7    and name HD% )
      5.300     3.500     0.700 peak  6217 spectrum    1 weight  0.10000E+01 volume  0.41844E-04 ppm1      4.951 ppm2      7.079 CV     1
 ASSI { 6218}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 7    and name HD% )
      4.600     2.600     1.400 peak  6218 spectrum    1 weight  0.10000E+01 volume  0.37478E-03 ppm1      5.100 ppm2      7.078 CV     1
 ASSI { 6219}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 7    and name HE% )
      5.200     3.400     0.800 peak  6219 spectrum    1 weight  0.10000E+01 volume  0.16192E-03 ppm1      5.101 ppm2      6.617 CV     1
 ASSI { 8901}
   (( segid "    " and resid 101  and name HG2 ))
   (  segid "    " and resid 8    and name HG1%)
      4.200     2.200     1.800 peak  8901 spectrum    1 weight  0.10000E+01 volume  0.83690E-04 ppm1      0.869 ppm2      0.210 CV     1
 ASSI { 8907}
   (  segid "    " and resid 99   and name HD2%)
   (  segid "    " and resid 8    and name HG1%)
      2.900     1.100     1.100 peak  8907 spectrum    1 weight  0.10000E+01 volume  0.19194E-02 ppm1      0.690 ppm2      0.210 CV     1
 ASSI { 6220}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 7    and name HE% )
      6.000     4.700     0.000 peak  6220 spectrum    1 weight  0.10000E+01 volume  0.27290E-04 ppm1      4.958 ppm2      6.616 CV     1
 ASSI { 6221}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 7    and name HE% )
      4.800     2.800     1.200 peak  6221 spectrum    1 weight  0.10000E+01 volume  0.22559E-03 ppm1      4.626 ppm2      6.616 CV     1
 ASSI { 7960}
   (( segid "    " and resid 116  and name HG2 ))
   (( segid "    " and resid 112  and name HG2 ))
      3.600     1.600     1.600 peak  7960 spectrum    1 weight  0.10000E+01 volume  0.12389E-02 ppm1      2.268 ppm2      2.578 CV     1
 ASSI { 6222}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 7    and name HE% )
      5.200     3.300     0.800 peak  6222 spectrum    1 weight  0.10000E+01 volume  0.12008E-03 ppm1      4.523 ppm2      6.616 CV     1
 ASSI { 6223}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 7    and name HE% )
      4.900     3.000     1.100 peak  6223 spectrum    1 weight  0.10000E+01 volume  0.16737E-03 ppm1      4.333 ppm2      6.618 CV     1
 ASSI { 7963}
   (( segid "    " and resid 92   and name HB  ))
   (( segid "    " and resid 92   and name HA  ))
      2.600     0.900     0.900 peak  7963 spectrum    1 weight  0.10000E+01 volume  0.21395E-02 ppm1      2.106 ppm2      3.215 CV     1
 ASSI { 7967}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 46   and name HA  ))
      2.200     2.200     3.800 peak  7967 spectrum    1 weight  0.10000E+01 volume  0.43245E-02 ppm1      2.437 ppm2      4.064 CV     1
 OR { 7967}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI { 8917}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HB1 ))
      5.300     3.600     0.700 peak  8917 spectrum    1 weight  0.10000E+01 volume  0.22741E-03 ppm1      5.584 ppm2      1.577 CV     1
 ASSI { 6231}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      6.000     5.400     0.000 peak  6231 spectrum    1 weight  0.10000E+01 volume  0.27290E-04 ppm1     10.838 ppm2      8.984 CV     1
 ASSI { 6234}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      3.100     1.200     1.200 peak  6234 spectrum    1 weight  0.10000E+01 volume  0.11098E-02 ppm1      4.811 ppm2      7.447 CV     1
 ASSI { 6235}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      3.000     1.100     1.100 peak  6235 spectrum    1 weight  0.10000E+01 volume  0.12626E-02 ppm1      5.016 ppm2      7.256 CV     1
 ASSI { 6236}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 18   and name HZ  ))
      6.000     5.200     0.000 peak  6236 spectrum    1 weight  0.10000E+01 volume  0.45483E-04 ppm1      5.016 ppm2      6.990 CV     1
 ASSI { 6237}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 13   and name HE% )
      4.300     2.300     1.700 peak  6237 spectrum    1 weight  0.10000E+01 volume  0.37478E-03 ppm1      5.017 ppm2      6.746 CV     1
 ASSI { 6238}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 13   and name HE% )
      6.000     5.600     0.000 peak  6238 spectrum    1 weight  0.10000E+01 volume  0.61856E-04 ppm1      4.959 ppm2      6.746 CV     1
 ASSI { 6239}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      4.400     2.400     1.600 peak  6239 spectrum    1 weight  0.10000E+01 volume  0.38387E-03 ppm1      4.963 ppm2      7.256 CV     1
 ASSI { 8923}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 42   and name HG2 ))
      6.000     4.800     0.000 peak  8923 spectrum    1 weight  0.10000E+01 volume  0.96423E-04 ppm1      5.964 ppm2      2.398 CV     1
 ASSI { 8927}
   (  segid "    " and resid 16   and name HD% )
   (( segid "    " and resid 15   and name HB2 ))
      4.300     2.300     1.700 peak  8927 spectrum    1 weight  0.10000E+01 volume  0.78231E-04 ppm1      5.831 ppm2      2.724 CV     1
 ASSI { 6240}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 18   and name HE% )
      4.100     2.100     1.900 peak  6240 spectrum    1 weight  0.10000E+01 volume  0.96423E-03 ppm1      5.017 ppm2      7.370 CV     1
 ASSI { 8929}
   (  segid "    " and resid 16   and name HD% )
   (( segid "    " and resid 18   and name HB1 ))
      4.300     2.400     1.700 peak  8929 spectrum    1 weight  0.10000E+01 volume  0.36386E-03 ppm1      5.832 ppm2      2.805 CV     1
 OR { 8929}
   (  segid "    " and resid 16   and name HD% )
   (( segid "    " and resid 18   and name HB2 ))
 ASSI { 7988}
   (( segid "    " and resid 113  and name HE1 ))
   (( segid "    " and resid 113  and name HA  ))
      2.700     0.900     0.900 peak  7988 spectrum    1 weight  0.10000E+01 volume  0.33621E-02 ppm1      2.894 ppm2      4.068 CV     1
 OR { 7988}
   (( segid "    " and resid 113  and name HE2 ))
   (( segid "    " and resid 113  and name HA  ))
 ASSI { 7989}
   (( segid "    " and resid 46   and name HE2 ))
   (( segid "    " and resid 67   and name HA  ))
      2.400     2.400     3.600 peak  7989 spectrum    1 weight  0.10000E+01 volume  0.23506E-02 ppm1      2.900 ppm2      3.886 CV     1
 OR { 7989}
   (( segid "    " and resid 46   and name HE1 ))
   (( segid "    " and resid 67   and name HA  ))
 ASSI { 8930}
   (  segid "    " and resid 16   and name HD% )
   (( segid "    " and resid 101  and name HA  ))
      4.500     2.500     1.500 peak  8930 spectrum    1 weight  0.10000E+01 volume  0.13645E-03 ppm1      5.831 ppm2      3.078 CV     1
 ASSI { 8931}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 76   and name HB  ))
      5.500     3.800     0.500 peak  8931 spectrum    1 weight  0.10000E+01 volume  0.14373E-03 ppm1      5.586 ppm2      3.979 CV     1
 ASSI { 8933}
   (  segid "    " and resid 16   and name HD% )
   (( segid "    " and resid 18   and name HA  ))
      4.300     2.400     1.700 peak  8933 spectrum    1 weight  0.10000E+01 volume  0.15646E-03 ppm1      5.829 ppm2      4.014 CV     1
 ASSI { 8935}
   (  segid "    " and resid 16   and name HD% )
   (( segid "    " and resid 16   and name HA  ))
      3.400     1.400     1.400 peak  8935 spectrum    1 weight  0.10000E+01 volume  0.63861E-03 ppm1      5.830 ppm2      4.165 CV     1
 ASSI { 8937}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 75   and name HA  ))
      4.300     2.300     1.700 peak  8937 spectrum    1 weight  0.10000E+01 volume  0.26926E-03 ppm1      4.926 ppm2      5.052 CV     1
 ASSI { 7992}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 59   and name HA  ))
      3.700     1.700     1.700 peak  7992 spectrum    1 weight  0.10000E+01 volume  0.99696E-03 ppm1      2.875 ppm2      3.805 CV     1
 ASSI { 6258}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 72   and name HA  ))
      5.300     3.500     0.700 peak  6258 spectrum    1 weight  0.10000E+01 volume  0.52760E-04 ppm1      0.204 ppm2      5.100 CV     1
 ASSI { 6259}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 9    and name HA  ))
      6.000     4.700     0.000 peak  6259 spectrum    1 weight  0.10000E+01 volume  0.34567E-04 ppm1      0.204 ppm2      4.962 CV     1
 ASSI { 7200}
   (  segid "    " and resid 98   and name HD1%)
   (( segid "    " and resid 97   and name HN  ))
      2.600     2.600     3.400 peak  7200 spectrum    1 weight  0.10000E+01 volume  0.15937E-02 ppm1      0.757 ppm2      7.036 CV     1
 ASSI { 8940}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 75   and name HA  ))
      6.000     5.600     0.000 peak  8940 spectrum    1 weight  0.10000E+01 volume  0.18193E-04 ppm1      5.586 ppm2      5.050 CV     1
 ASSI { 8942}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 43   and name HA  ))
      6.000     4.800     0.000 peak  8942 spectrum    1 weight  0.10000E+01 volume  0.32747E-04 ppm1      5.965 ppm2      4.352 CV     1
 ASSI { 8944}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 13   and name HA  ))
      3.800     1.800     1.800 peak  8944 spectrum    1 weight  0.10000E+01 volume  0.36023E-03 ppm1      7.253 ppm2      5.019 CV     1
 ASSI { 7208}
   (( segid "    " and resid 96   and name HG1 ))
   (( segid "    " and resid 96   and name HN  ))
      3.000     1.200     1.200 peak  7208 spectrum    1 weight  0.10000E+01 volume  0.30965E-02 ppm1      1.780 ppm2      8.568 CV     1
 OR { 7208}
   (( segid "    " and resid 96   and name HG2 ))
   (( segid "    " and resid 96   and name HN  ))
 ASSI { 8951}
   (  segid "    " and resid 124  and name HD% )
   (( segid "    " and resid 124  and name HA  ))
      3.800     1.900     1.900 peak  8951 spectrum    1 weight  0.10000E+01 volume  0.39115E-03 ppm1      6.975 ppm2      4.402 CV     1
 ASSI { 6270}
   (( segid "    " and resid 101  and name HG1 ))
   (( segid "    " and resid 101  and name HD2 ))
      3.900     1.900     1.900 peak  6270 spectrum    1 weight  0.10000E+01 volume  0.32747E-03 ppm1      0.316 ppm2      3.075 CV     1
 ASSI { 8961}
   (( segid "    " and resid 18   and name HZ  ))
   (( segid "    " and resid 99   and name HA  ))
      3.600     3.600     2.400 peak  8961 spectrum    1 weight  0.10000E+01 volume  0.13427E-02 ppm1      6.999 ppm2      4.269 CV     1
 ASSI { 8965}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 58   and name HA  ))
      5.100     3.300     0.900 peak  8965 spectrum    1 weight  0.10000E+01 volume  0.15646E-03 ppm1      6.694 ppm2      4.150 CV     1
 ASSI { 7230}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 92   and name HN  ))
      3.000     1.100     1.100 peak  7230 spectrum    1 weight  0.10000E+01 volume  0.18302E-02 ppm1      3.864 ppm2      8.720 CV     1
 ASSI { 7232}
   (  segid "    " and resid 91   and name HB% )
   (( segid "    " and resid 92   and name HN  ))
      2.500     0.800     0.800 peak  7232 spectrum    1 weight  0.10000E+01 volume  0.33111E-02 ppm1      1.452 ppm2      8.721 CV     1
 ASSI { 8972}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      3.200     1.300     1.300 peak  8972 spectrum    1 weight  0.10000E+01 volume  0.10552E-02 ppm1      7.207 ppm2      4.393 CV     1
 ASSI { 7233}
   (( segid "    " and resid 41   and name HB  ))
   (( segid "    " and resid 92   and name HN  ))
      3.000     3.000     3.000 peak  7233 spectrum    1 weight  0.10000E+01 volume  0.41098E-02 ppm1      1.554 ppm2      8.721 CV     1
 ASSI { 7234}
   (  segid "    " and resid 92   and name HG1%)
   (( segid "    " and resid 92   and name HN  ))
      2.500     0.800     0.800 peak  7234 spectrum    1 weight  0.10000E+01 volume  0.56071E-02 ppm1      0.861 ppm2      8.720 CV     1
 OR { 7234}
   (  segid "    " and resid 92   and name HG2%)
   (( segid "    " and resid 92   and name HN  ))
 ASSI { 8975}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      3.100     1.200     1.200 peak  8975 spectrum    1 weight  0.10000E+01 volume  0.12808E-02 ppm1      7.191 ppm2      4.159 CV     1
 ASSI { 7236}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 92   and name HN  ))
      2.900     1.000     1.000 peak  7236 spectrum    1 weight  0.10000E+01 volume  0.38588E-02 ppm1      0.680 ppm2      8.721 CV     1
 ASSI { 6299}
   (( segid "    " and resid 101  and name HG1 ))
   (( segid "    " and resid 101  and name HG2 ))
      2.500     0.800     0.800 peak  6299 spectrum    1 weight  0.10000E+01 volume  0.13718E-02 ppm1      0.317 ppm2      0.881 CV     1
 ASSI { 7243}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 90   and name HN  ))
      2.900     1.100     1.100 peak  7243 spectrum    1 weight  0.10000E+01 volume  0.17848E-02 ppm1      3.802 ppm2      7.526 CV     1
 ASSI { 8983}
   (  segid "    " and resid 16   and name HE% )
   (( segid "    " and resid 21   and name HA  ))
      3.900     1.900     1.900 peak  8983 spectrum    1 weight  0.10000E+01 volume  0.10334E-02 ppm1      6.792 ppm2      4.063 CV     1
 ASSI { 7245}
   (( segid "    " and resid 90   and name HD2 ))
   (( segid "    " and resid 90   and name HN  ))
      4.000     2.000     2.000 peak  7245 spectrum    1 weight  0.10000E+01 volume  0.62766E-03 ppm1      3.193 ppm2      7.527 CV     1
 OR { 7245}
   (( segid "    " and resid 90   and name HD1 ))
   (( segid "    " and resid 90   and name HN  ))
 ASSI { 7246}
   (( segid "    " and resid 92   and name HB  ))
   (( segid "    " and resid 90   and name HN  ))
      6.000     5.000     0.000 peak  7246 spectrum    1 weight  0.10000E+01 volume  0.27290E-04 ppm1      2.119 ppm2      7.528 CV     1
 ASSI { 7247}
   (( segid "    " and resid 90   and name HB2 ))
   (( segid "    " and resid 90   and name HN  ))
      2.800     1.000     1.000 peak  7247 spectrum    1 weight  0.10000E+01 volume  0.52742E-02 ppm1      1.902 ppm2      7.524 CV     1
 ASSI { 7248}
   (( segid "    " and resid 90   and name HB1 ))
   (( segid "    " and resid 90   and name HN  ))
      2.300     0.700     0.700 peak  7248 spectrum    1 weight  0.10000E+01 volume  0.45719E-02 ppm1      1.847 ppm2      7.524 CV     1
 ASSI { 7249}
   (( segid "    " and resid 90   and name HG2 ))
   (( segid "    " and resid 90   and name HN  ))
      2.500     0.800     0.800 peak  7249 spectrum    1 weight  0.10000E+01 volume  0.23432E-02 ppm1      1.666 ppm2      7.526 CV     1
 ASSI { 7250}
   (( segid "    " and resid 90   and name HG1 ))
   (( segid "    " and resid 90   and name HN  ))
      3.200     1.300     1.300 peak  7250 spectrum    1 weight  0.10000E+01 volume  0.24615E-02 ppm1      1.583 ppm2      7.526 CV     1
 ASSI { 8990}
   (( segid "    " and resid 57   and name HE21))
   (( segid "    " and resid 53   and name HA  ))
      4.000     2.000     2.000 peak  8990 spectrum    1 weight  0.10000E+01 volume  0.38569E-03 ppm1      6.716 ppm2      4.010 CV     1
 ASSI { 7251}
   (  segid "    " and resid 91   and name HB% )
   (( segid "    " and resid 90   and name HN  ))
      3.400     1.400     1.400 peak  7251 spectrum    1 weight  0.10000E+01 volume  0.25161E-02 ppm1      1.454 ppm2      7.526 CV     1
 ASSI { 8992}
   (( segid "    " and resid 18   and name HZ  ))
   (( segid "    " and resid 8    and name HA  ))
      3.500     1.500     1.500 peak  8992 spectrum    1 weight  0.10000E+01 volume  0.25652E-03 ppm1      6.981 ppm2      3.886 CV     1
 ASSI { 7253}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 90   and name HN  ))
      3.700     1.700     1.700 peak  7253 spectrum    1 weight  0.10000E+01 volume  0.63494E-03 ppm1      1.111 ppm2      7.524 CV     1
 ASSI { 7258}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 89   and name HN  ))
      3.300     1.300     1.300 peak  7258 spectrum    1 weight  0.10000E+01 volume  0.10916E-02 ppm1      7.864 ppm2      7.634 CV     1
 ASSI { 8201}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 5    and name HG2 ))
      4.000     2.000     2.000 peak  8201 spectrum    1 weight  0.10000E+01 volume  0.73681E-03 ppm1      4.927 ppm2      0.987 CV     1
 ASSI { 8203}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 10   and name HG2%)
      3.300     3.300     2.700 peak  8203 spectrum    1 weight  0.10000E+01 volume  0.16756E-02 ppm1      5.035 ppm2      1.049 CV     1
 OR { 8203}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 10   and name HG1%)
 ASSI { 8204}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 10   and name HG1%)
      2.600     2.600     3.400 peak  8204 spectrum    1 weight  0.10000E+01 volume  0.14718E-02 ppm1      5.105 ppm2      1.049 CV     1
 OR { 8204}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 10   and name HG2%)
 ASSI { 6601}
   (( segid "    " and resid 57   and name HE22))
   (( segid "    " and resid 57   and name HE21))
      2.200     0.600     0.600 peak  6601 spectrum    1 weight  0.10000E+01 volume  0.24433E-02 ppm1      7.325 ppm2      6.706 CV     1
 ASSI { 8206}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HG2 ))
      3.800     1.800     1.800 peak  8206 spectrum    1 weight  0.10000E+01 volume  0.80960E-03 ppm1      5.035 ppm2      0.986 CV     1
 ASSI { 8207}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HB1 ))
      3.500     1.600     1.600 peak  8207 spectrum    1 weight  0.10000E+01 volume  0.55125E-03 ppm1      4.924 ppm2      1.105 CV     1
 ASSI { 8208}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.800     2.800     3.200 peak  8208 spectrum    1 weight  0.10000E+01 volume  0.23105E-02 ppm1      5.047 ppm2      1.106 CV     1
 ASSI { 8209}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 37   and name HG2%)
      4.100     2.100     1.900 peak  8209 spectrum    1 weight  0.10000E+01 volume  0.63494E-03 ppm1      4.807 ppm2      1.106 CV     1
 ASSI { 7261}
   (( segid "    " and resid 92   and name HB  ))
   (( segid "    " and resid 89   and name HN  ))
      2.600     2.600     3.400 peak  7261 spectrum    1 weight  0.10000E+01 volume  0.16792E-02 ppm1      2.115 ppm2      7.633 CV     1
 ASSI { 7262}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 89   and name HN  ))
      3.000     1.100     1.100 peak  7262 spectrum    1 weight  0.10000E+01 volume  0.15846E-02 ppm1      1.732 ppm2      7.631 CV     1
 ASSI { 7263}
   (( segid "    " and resid 89   and name HD2 ))
   (( segid "    " and resid 89   and name HN  ))
      3.100     1.200     1.200 peak  7263 spectrum    1 weight  0.10000E+01 volume  0.25743E-02 ppm1      1.572 ppm2      7.631 CV     1
 ASSI { 7264}
   (( segid "    " and resid 89   and name HD1 ))
   (( segid "    " and resid 89   and name HN  ))
      3.200     1.300     1.300 peak  7264 spectrum    1 weight  0.10000E+01 volume  0.19649E-02 ppm1      1.495 ppm2      7.631 CV     1
 ASSI { 7268}
   (  segid "    " and resid 88   and name HD1%)
   (( segid "    " and resid 89   and name HN  ))
      3.100     1.200     1.200 peak  7268 spectrum    1 weight  0.10000E+01 volume  0.11971E-02 ppm1      0.801 ppm2      7.633 CV     1
 ASSI { 7269}
   (  segid "    " and resid 88   and name HD2%)
   (( segid "    " and resid 89   and name HN  ))
      3.100     1.200     1.200 peak  7269 spectrum    1 weight  0.10000E+01 volume  0.18593E-02 ppm1      0.865 ppm2      7.633 CV     1
 ASSI { 8211}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 10   and name HG1%)
      3.400     3.400     2.600 peak  8211 spectrum    1 weight  0.10000E+01 volume  0.15209E-02 ppm1      4.603 ppm2      1.050 CV     1
 ASSI { 8215}
   (( segid "    " and resid 124  and name HA  ))
   (  segid "    " and resid 123  and name HG2%)
      3.200     1.300     1.300 peak  8215 spectrum    1 weight  0.10000E+01 volume  0.12372E-02 ppm1      4.397 ppm2      1.011 CV     1
 ASSI { 8219}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 37   and name HG2%)
      3.400     1.500     1.500 peak  8219 spectrum    1 weight  0.10000E+01 volume  0.27963E-02 ppm1      4.087 ppm2      1.108 CV     1
 ASSI { 6616}
   (( segid "    " and resid 1    and name HE21))
   (( segid "    " and resid 1    and name HE22))
      1.800     0.400     0.400 peak  6616 spectrum    1 weight  0.10000E+01 volume  0.10085E-01 ppm1      6.651 ppm2      7.424 CV     1
 ASSI { 7273}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 88   and name HN  ))
      2.800     1.000     1.000 peak  7273 spectrum    1 weight  0.10000E+01 volume  0.22505E-02 ppm1      3.854 ppm2      8.137 CV     1
 ASSI { 7276}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 88   and name HN  ))
      2.900     1.000     1.000 peak  7276 spectrum    1 weight  0.10000E+01 volume  0.42972E-02 ppm1      1.895 ppm2      8.137 CV     1
 ASSI { 7278}
   (  segid "    " and resid 88   and name HD1%)
   (( segid "    " and resid 88   and name HN  ))
      2.800     1.000     1.000 peak  7278 spectrum    1 weight  0.10000E+01 volume  0.37369E-02 ppm1      0.807 ppm2      8.137 CV     1
 ASSI { 8220}
   (( segid "    " and resid 38   and name HA2 ))
   (  segid "    " and resid 37   and name HG2%)
      3.600     3.600     2.400 peak  8220 spectrum    1 weight  0.10000E+01 volume  0.28327E-02 ppm1      4.043 ppm2      1.108 CV     1
 ASSI { 8221}
   (( segid "    " and resid 38   and name HA1 ))
   (  segid "    " and resid 37   and name HG2%)
      4.100     2.100     1.900 peak  8221 spectrum    1 weight  0.10000E+01 volume  0.88600E-03 ppm1      3.859 ppm2      1.108 CV     1
 ASSI { 8223}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 10   and name HG1%)
      3.200     3.200     2.800 peak  8223 spectrum    1 weight  0.10000E+01 volume  0.12062E-02 ppm1      3.797 ppm2      1.049 CV     1
 OR { 8223}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 10   and name HG2%)
 ASSI { 8224}
   (( segid "    " and resid 29   and name HA  ))
   (  segid "    " and resid 29   and name HG2%)
      2.900     1.000     1.000 peak  8224 spectrum    1 weight  0.10000E+01 volume  0.39407E-02 ppm1      3.927 ppm2      1.161 CV     1
 ASSI { 6621}
   (  segid "    " and resid 16   and name HE% )
   (( segid "    " and resid 102  and name HN  ))
      4.100     2.100     1.900 peak  6621 spectrum    1 weight  0.10000E+01 volume  0.30564E-03 ppm1      6.798 ppm2      7.100 CV     1
 ASSI { 8226}
   (( segid "    " and resid 54   and name HG1 ))
   (( segid "    " and resid 54   and name HA  ))
      2.600     0.800     0.800 peak  8226 spectrum    1 weight  0.10000E+01 volume  0.11662E-02 ppm1      1.146 ppm2      3.756 CV     1
 ASSI { 7283}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 87   and name HN  ))
      2.700     0.900     0.900 peak  7283 spectrum    1 weight  0.10000E+01 volume  0.27326E-02 ppm1      3.990 ppm2      7.855 CV     1
 ASSI { 6628}
   (( segid "    " and resid 44   and name HB1 ))
   (( segid "    " and resid 66   and name HD2 ))
      4.200     2.200     1.800 peak  6628 spectrum    1 weight  0.10000E+01 volume  0.26380E-03 ppm1      0.344 ppm2      7.090 CV     1
 ASSI { 7285}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 35   and name HN  ))
      2.900     1.100     1.100 peak  7285 spectrum    1 weight  0.10000E+01 volume  0.46320E-02 ppm1      1.976 ppm2      7.860 CV     1
 ASSI { 8230}
   (( segid "    " and resid 27   and name HA1 ))
   (  segid "    " and resid 29   and name HG2%)
      4.400     2.400     1.600 peak  8230 spectrum    1 weight  0.10000E+01 volume  0.62584E-03 ppm1      3.691 ppm2      1.161 CV     1
 ASSI { 8231}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 29   and name HG2%)
      3.000     1.100     1.100 peak  8231 spectrum    1 weight  0.10000E+01 volume  0.21868E-02 ppm1      4.076 ppm2      1.162 CV     1
 ASSI { 8232}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 54   and name HG1 ))
      3.500     1.500     1.500 peak  8232 spectrum    1 weight  0.10000E+01 volume  0.18575E-02 ppm1      4.179 ppm2      1.162 CV     1
 ASSI { 6630}
   (( segid "    " and resid 44   and name HG1 ))
   (( segid "    " and resid 66   and name HE1 ))
      5.700     4.100     0.300 peak  6630 spectrum    1 weight  0.10000E+01 volume  0.74591E-04 ppm1      0.484 ppm2      7.795 CV     1
 ASSI { 6633}
   (( segid "    " and resid 44   and name HB1 ))
   (( segid "    " and resid 72   and name HE1 ))
      3.800     1.800     1.800 peak  6633 spectrum    1 weight  0.10000E+01 volume  0.47848E-03 ppm1      0.342 ppm2      7.341 CV     1
 ASSI { 7290}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 86   and name HN  ))
      3.500     3.500     2.500 peak  7290 spectrum    1 weight  0.10000E+01 volume  0.21359E-02 ppm1      1.743 ppm2      7.221 CV     1
 ASSI { 8239}
   (( segid "    " and resid 76   and name HB  ))
   (  segid "    " and resid 76   and name HG2%)
      2.200     0.600     0.600 peak  8239 spectrum    1 weight  0.10000E+01 volume  0.63766E-02 ppm1      3.972 ppm2      0.930 CV     1
 ASSI { 6636}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 74   and name HD2%)
      2.900     1.100     1.100 peak  6636 spectrum    1 weight  0.10000E+01 volume  0.19467E-02 ppm1      4.928 ppm2      0.675 CV     1
 ASSI { 6639}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 75   and name HG2%)
      2.500     0.800     0.800 peak  6639 spectrum    1 weight  0.10000E+01 volume  0.24142E-02 ppm1      5.050 ppm2      0.676 CV     1
 ASSI { 6649}
   (  segid "    " and resid 10   and name HG2%)
   (( segid "    " and resid 10   and name HA  ))
      2.400     0.700     0.700 peak  6649 spectrum    1 weight  0.10000E+01 volume  0.43518E-02 ppm1      1.049 ppm2      3.930 CV     1
 OR { 6649}
   (  segid "    " and resid 10   and name HG1%)
   (( segid "    " and resid 10   and name HA  ))
 ASSI { 8251}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 77   and name HG2%)
      2.500     0.800     0.800 peak  8251 spectrum    1 weight  0.10000E+01 volume  0.35404E-02 ppm1      4.525 ppm2      0.886 CV     1
 ASSI { 8252}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
      2.400     2.400     3.600 peak  8252 spectrum    1 weight  0.10000E+01 volume  0.27162E-02 ppm1      4.524 ppm2      0.930 CV     1
 ASSI { 8254}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 77   and name HG2%)
      3.400     1.500     1.500 peak  8254 spectrum    1 weight  0.10000E+01 volume  0.62220E-03 ppm1      4.815 ppm2      0.888 CV     1
 ASSI { 6650}
   (( segid "    " and resid 41   and name HG12))
   (  segid "    " and resid 41   and name HG2%)
      3.100     1.200     1.200 peak  6650 spectrum    1 weight  0.10000E+01 volume  0.77321E-03 ppm1      1.294 ppm2      0.482 CV     1
 ASSI { 8255}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
      4.000     2.000     2.000 peak  8255 spectrum    1 weight  0.10000E+01 volume  0.47848E-03 ppm1      4.816 ppm2      0.932 CV     1
 ASSI { 6651}
   (  segid "    " and resid 127  and name HB% )
   (( segid "    " and resid 127  and name HN  ))
      2.700     0.900     0.900 peak  6651 spectrum    1 weight  0.10000E+01 volume  0.25961E-02 ppm1      1.290 ppm2      8.152 CV     1
 ASSI { 8256}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
      4.000     2.000     2.000 peak  8256 spectrum    1 weight  0.10000E+01 volume  0.10625E-02 ppm1      4.928 ppm2      0.932 CV     1
 ASSI { 8257}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 5    and name HD1 ))
      3.800     1.800     1.800 peak  8257 spectrum    1 weight  0.10000E+01 volume  0.12790E-02 ppm1      4.927 ppm2      0.887 CV     1
 ASSI { 6654}
   (( segid "    " and resid 50   and name HD1 ))
   (( segid "    " and resid 50   and name HG2 ))
      2.700     0.900     0.900 peak  6654 spectrum    1 weight  0.10000E+01 volume  0.23051E-02 ppm1      3.045 ppm2      1.561 CV     1
 OR { 6654}
   (( segid "    " and resid 50   and name HD1 ))
   (( segid "    " and resid 50   and name HG1 ))
 ASSI { 6655}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 37   and name HG2%)
      3.100     1.200     1.200 peak  6655 spectrum    1 weight  0.10000E+01 volume  0.16174E-02 ppm1      4.360 ppm2      1.107 CV     1
 ASSI { 6656}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HD21))
      4.600     2.600     1.400 peak  6656 spectrum    1 weight  0.10000E+01 volume  0.21832E-03 ppm1      4.362 ppm2      6.842 CV     1
 ASSI { 6658}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 36   and name HN  ))
      4.200     2.200     1.800 peak  6658 spectrum    1 weight  0.10000E+01 volume  0.80411E-03 ppm1      1.108 ppm2      8.178 CV     1
 ASSI { 9208}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      3.200     1.300     1.300 peak  9208 spectrum    1 weight  0.10000E+01 volume  0.25252E-02 ppm1      8.632 ppm2      3.700 CV     1
 ASSI { 8261}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 77   and name HG2%)
      4.800     2.800     1.200 peak  8261 spectrum    1 weight  0.10000E+01 volume  0.42754E-03 ppm1      5.327 ppm2      0.887 CV     1
 ASSI { 7606}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HN  ))
      2.500     0.800     0.800 peak  7606 spectrum    1 weight  0.10000E+01 volume  0.34894E-02 ppm1      2.447 ppm2      7.447 CV     1
 OR { 7606}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 8263}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
      4.400     2.400     1.600 peak  8263 spectrum    1 weight  0.10000E+01 volume  0.25652E-03 ppm1      5.579 ppm2      0.933 CV     1
 ASSI { 8264}
   (  segid "    " and resid 16   and name HD% )
   (  segid "    " and resid 10   and name HG2%)
      5.800     4.100     0.200 peak  8264 spectrum    1 weight  0.10000E+01 volume  0.58218E-04 ppm1      5.835 ppm2      1.051 CV     1
 ASSI { 7608}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 39   and name HN  ))
      3.100     1.200     1.200 peak  7608 spectrum    1 weight  0.10000E+01 volume  0.28290E-02 ppm1      1.115 ppm2      7.447 CV     1
 ASSI { 6662}
   (  segid "    " and resid 102  and name HB% )
   (( segid "    " and resid 102  and name HA  ))
      2.400     0.700     0.700 peak  6662 spectrum    1 weight  0.10000E+01 volume  0.60692E-02 ppm1      1.212 ppm2      4.142 CV     1
 ASSI { 6663}
   (  segid "    " and resid 103  and name HB% )
   (( segid "    " and resid 103  and name HA  ))
      2.000     0.500     0.500 peak  6663 spectrum    1 weight  0.10000E+01 volume  0.15666E-01 ppm1      1.284 ppm2      4.204 CV     1
 ASSI { 6664}
   (  segid "    " and resid 84   and name HB% )
   (( segid "    " and resid 84   and name HA  ))
      2.900     1.000     1.000 peak  6664 spectrum    1 weight  0.10000E+01 volume  0.17192E-02 ppm1      1.258 ppm2      3.679 CV     1
 ASSI { 6666}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 62   and name HA  ))
      2.400     0.700     0.700 peak  6666 spectrum    1 weight  0.10000E+01 volume  0.26180E-02 ppm1      1.784 ppm2      4.365 CV     1
 ASSI { 6667}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 55   and name HA  ))
      3.700     1.700     1.700 peak  6667 spectrum    1 weight  0.10000E+01 volume  0.98787E-03 ppm1      2.439 ppm2      3.691 CV     1
 ASSI { 6668}
   (( segid "    " and resid 65   and name HG2 ))
   (( segid "    " and resid 65   and name HA  ))
      3.100     1.200     1.200 peak  6668 spectrum    1 weight  0.10000E+01 volume  0.29127E-02 ppm1      2.484 ppm2      3.890 CV     1
 ASSI { 6669}
   (( segid "    " and resid 62   and name HD1 ))
   (( segid "    " and resid 62   and name HA  ))
      3.000     1.100     1.100 peak  6669 spectrum    1 weight  0.10000E+01 volume  0.11335E-02 ppm1      3.581 ppm2      4.364 CV     1
 OR { 6669}
   (( segid "    " and resid 62   and name HD2 ))
   (( segid "    " and resid 62   and name HA  ))
 ASSI { 9211}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      4.900     3.000     1.100 peak  9211 spectrum    1 weight  0.10000E+01 volume  0.11280E-03 ppm1      9.252 ppm2      4.105 CV     1
 ASSI { 9212}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      5.300     3.500     0.700 peak  9212 spectrum    1 weight  0.10000E+01 volume  0.21832E-04 ppm1      9.254 ppm2      4.075 CV     1
 ASSI { 7611}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      2.300     2.300     3.700 peak  7611 spectrum    1 weight  0.10000E+01 volume  0.31438E-02 ppm1      4.806 ppm2      8.121 CV     1
 ASSI { 7613}
   (( segid "    " and resid 38   and name HA2 ))
   (( segid "    " and resid 38   and name HN  ))
      2.300     0.700     0.700 peak  7613 spectrum    1 weight  0.10000E+01 volume  0.47065E-02 ppm1      4.068 ppm2      8.120 CV     1
 ASSI { 7616}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 38   and name HN  ))
      4.000     2.000     2.000 peak  7616 spectrum    1 weight  0.10000E+01 volume  0.86597E-03 ppm1      1.108 ppm2      8.121 CV     1
 ASSI { 8273}
   (  segid "    " and resid 16   and name HD% )
   (( segid "    " and resid 101  and name HB1 ))
      3.700     1.700     1.700 peak  8273 spectrum    1 weight  0.10000E+01 volume  0.41117E-03 ppm1      5.834 ppm2      0.829 CV     1
 ASSI { 7617}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      3.900     1.900     1.900 peak  7617 spectrum    1 weight  0.10000E+01 volume  0.43482E-03 ppm1      7.431 ppm2      7.934 CV     1
 ASSI { 8274}
   (  segid "    " and resid 16   and name HD% )
   (  segid "    " and resid 100  and name HG2%)
      4.200     2.200     1.800 peak  8274 spectrum    1 weight  0.10000E+01 volume  0.40935E-03 ppm1      5.833 ppm2      0.865 CV     1
 ASSI { 8276}
   (  segid "    " and resid 16   and name HD% )
   (  segid "    " and resid 71   and name HD2%)
      5.200     3.300     0.800 peak  8276 spectrum    1 weight  0.10000E+01 volume  0.13645E-03 ppm1      5.834 ppm2      0.737 CV     1
 ASSI { 6673}
   (( segid "    " and resid 124  and name HA  ))
   (  segid "    " and resid 124  and name HE% )
      4.000     2.000     2.000 peak  6673 spectrum    1 weight  0.10000E+01 volume  0.76411E-03 ppm1      4.397 ppm2      6.700 CV     1
 ASSI { 6674}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HG1 ))
      3.900     1.900     1.900 peak  6674 spectrum    1 weight  0.10000E+01 volume  0.59673E-03 ppm1      5.587 ppm2      1.978 CV     1
 ASSI { 6675}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HB2 ))
      3.600     1.600     1.600 peak  6675 spectrum    1 weight  0.10000E+01 volume  0.58946E-03 ppm1      5.587 ppm2      1.866 CV     1
 ASSI { 6677}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HG2 ))
      3.500     1.500     1.500 peak  6677 spectrum    1 weight  0.10000E+01 volume  0.46028E-03 ppm1      5.587 ppm2      2.090 CV     1
 ASSI { 9225}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 58   and name HA  ))
      5.800     4.300     0.200 peak  9225 spectrum    1 weight  0.10000E+01 volume  0.40025E-04 ppm1     10.029 ppm2      4.191 CV     1
 ASSI { 9228}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.400     1.500     1.500 peak  9228 spectrum    1 weight  0.10000E+01 volume  0.47302E-03 ppm1     10.837 ppm2      4.082 CV     1
 ASSI { 8284}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 74   and name HD2%)
      3.700     1.700     1.700 peak  8284 spectrum    1 weight  0.10000E+01 volume  0.52942E-03 ppm1      5.325 ppm2      0.679 CV     1
 ASSI { 7629}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 36   and name HN  ))
      2.800     0.900     0.900 peak  7629 spectrum    1 weight  0.10000E+01 volume  0.29200E-02 ppm1      2.358 ppm2      8.179 CV     1
 OR { 7629}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 36   and name HN  ))
 ASSI { 8286}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 74   and name HD2%)
      3.700     1.700     1.700 peak  8286 spectrum    1 weight  0.10000E+01 volume  0.81321E-03 ppm1      5.583 ppm2      0.679 CV     1
 ASSI { 6684}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 96   and name HN  ))
      4.300     2.300     1.700 peak  6684 spectrum    1 weight  0.10000E+01 volume  0.22378E-03 ppm1      3.218 ppm2      8.567 CV     1
 ASSI { 8289}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 74   and name HD1%)
      3.600     1.700     1.700 peak  8289 spectrum    1 weight  0.10000E+01 volume  0.10097E-02 ppm1      4.925 ppm2      0.635 CV     1
 ASSI { 9230}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      4.500     2.600     1.500 peak  9230 spectrum    1 weight  0.10000E+01 volume  0.16192E-03 ppm1     10.836 ppm2      4.332 CV     1
 ASSI { 9231}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HA1 ))
      4.200     2.200     1.800 peak  9231 spectrum    1 weight  0.10000E+01 volume  0.28563E-03 ppm1     10.832 ppm2      3.797 CV     1
 ASSI { 9233}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      6.000     6.000     0.000 peak  9233 spectrum    1 weight  0.10000E+01 volume  0.36386E-05 ppm1     10.837 ppm2      3.634 CV     1
 ASSI { 7631}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HN  ))
      2.100     0.500     0.500 peak  7631 spectrum    1 weight  0.10000E+01 volume  0.84505E-02 ppm1      2.083 ppm2      8.178 CV     1
 ASSI { 7632}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HN  ))
      3.000     1.100     1.100 peak  7632 spectrum    1 weight  0.10000E+01 volume  0.47648E-02 ppm1      1.975 ppm2      8.179 CV     1
 ASSI { 9238}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HG2 ))
      5.600     3.900     0.400 peak  9238 spectrum    1 weight  0.10000E+01 volume  0.69131E-04 ppm1     10.835 ppm2      1.420 CV     1
 OR { 9238}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HG1 ))
 ASSI { 8290}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 8    and name HG2%)
      4.200     2.200     1.800 peak  8290 spectrum    1 weight  0.10000E+01 volume  0.25470E-03 ppm1      4.955 ppm2      0.578 CV     1
 ASSI { 8297}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 3    and name HB2 ))
      5.000     3.100     1.000 peak  8297 spectrum    1 weight  0.10000E+01 volume  0.28745E-03 ppm1      5.329 ppm2      1.868 CV     1
 ASSI { 6699}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 41   and name HN  ))
      4.600     2.700     1.400 peak  6699 spectrum    1 weight  0.10000E+01 volume  0.26926E-03 ppm1      1.471 ppm2      9.257 CV     1
 ASSI { 9240}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 71   and name HD2%)
      5.100     3.200     0.900 peak  9240 spectrum    1 weight  0.10000E+01 volume  0.70951E-04 ppm1     10.836 ppm2      0.742 CV     1
 ASSI { 9241}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 71   and name HD1%)
      5.300     3.500     0.700 peak  9241 spectrum    1 weight  0.10000E+01 volume  0.52760E-04 ppm1     10.836 ppm2      0.593 CV     1
 ASSI { 9243}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 63   and name HB1 ))
      4.800     2.800     1.200 peak  9243 spectrum    1 weight  0.10000E+01 volume  0.40025E-04 ppm1     10.026 ppm2      2.619 CV     1
 ASSI { 9244}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 61   and name HB2 ))
      4.900     3.000     1.100 peak  9244 spectrum    1 weight  0.10000E+01 volume  0.60037E-04 ppm1     10.027 ppm2      1.947 CV     1
 ASSI { 9248}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HD2 ))
      6.000     4.600     0.000 peak  9248 spectrum    1 weight  0.10000E+01 volume  0.89144E-04 ppm1      9.833 ppm2      2.414 CV     1
 ASSI { 9249}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HD1 ))
      6.000     5.900     0.000 peak  9249 spectrum    1 weight  0.10000E+01 volume  0.18193E-04 ppm1      9.827 ppm2      2.312 CV     1
 ASSI { 8476}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 59   and name HD1 ))
      3.100     1.200     1.200 peak  8476 spectrum    1 weight  0.10000E+01 volume  0.13536E-02 ppm1      3.891 ppm2      3.128 CV     1
 OR { 8476}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 59   and name HD2 ))
 ASSI { 7649}
   (  segid "    " and resid 35   and name HB% )
   (( segid "    " and resid 34   and name HN  ))
      3.700     1.700     1.700 peak  7649 spectrum    1 weight  0.10000E+01 volume  0.16629E-02 ppm1      1.467 ppm2      8.523 CV     1
 ASSI { 9254}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HG1 ))
      6.000     4.500     0.000 peak  9254 spectrum    1 weight  0.10000E+01 volume  0.70951E-04 ppm1      9.412 ppm2      2.298 CV     1
 ASSI { 7653}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      4.000     2.000     2.000 peak  7653 spectrum    1 weight  0.10000E+01 volume  0.42572E-03 ppm1      7.425 ppm2      7.968 CV     1
 ASSI { 7655}
   (( segid "    " and resid 21   and name HD1 ))
   (( segid "    " and resid 22   and name HN  ))
      4.300     2.300     1.700 peak  7655 spectrum    1 weight  0.10000E+01 volume  0.31838E-03 ppm1      3.297 ppm2      7.973 CV     1
 OR { 7655}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI { 7658}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      3.000     1.100     1.100 peak  7658 spectrum    1 weight  0.10000E+01 volume  0.43681E-02 ppm1      1.976 ppm2      7.974 CV     1
 ASSI { 7659}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 33   and name HN  ))
      6.000     6.000     0.000 peak  7659 spectrum    1 weight  0.10000E+01 volume  0.18193E-04 ppm1      0.486 ppm2      7.978 CV     1
 ASSI { 9261}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HE2 ))
      5.600     3.900     0.400 peak  9261 spectrum    1 weight  0.10000E+01 volume  0.63678E-04 ppm1      9.253 ppm2      2.817 CV     1
 OR { 9261}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HE1 ))
 ASSI { 9263}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 34   and name HG2 ))
      4.400     2.400     1.600 peak  9263 spectrum    1 weight  0.10000E+01 volume  0.17465E-03 ppm1      9.253 ppm2      2.265 CV     1
 ASSI { 9269}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 88   and name HB2 ))
      4.100     2.100     1.900 peak  9269 spectrum    1 weight  0.10000E+01 volume  0.36932E-03 ppm1      9.250 ppm2      1.722 CV     1
 ASSI { 7668}
   (  segid "    " and resid 30   and name HB% )
   (( segid "    " and resid 31   and name HN  ))
      2.200     0.600     0.600 peak  7668 spectrum    1 weight  0.10000E+01 volume  0.83178E-02 ppm1      1.416 ppm2      7.950 CV     1
 ASSI { 8613}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 93   and name HB2 ))
      2.700     2.700     3.300 peak  8613 spectrum    1 weight  0.10000E+01 volume  0.38606E-02 ppm1      3.846 ppm2      2.151 CV     1
 ASSI { 9273}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 30   and name HB% )
      4.500     2.500     1.500 peak  9273 spectrum    1 weight  0.10000E+01 volume  0.46938E-03 ppm1      9.251 ppm2      1.406 CV     1
 ASSI { 9275}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 88   and name HB1 ))
      4.000     2.000     2.000 peak  9275 spectrum    1 weight  0.10000E+01 volume  0.40935E-03 ppm1      9.250 ppm2      1.323 CV     1
 ASSI { 9276}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
      4.300     2.300     1.700 peak  9276 spectrum    1 weight  0.10000E+01 volume  0.42208E-03 ppm1      9.251 ppm2      1.274 CV     1
 ASSI { 9278}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HG1 ))
      5.300     3.500     0.700 peak  9278 spectrum    1 weight  0.10000E+01 volume  0.94603E-04 ppm1      9.252 ppm2      1.179 CV     1
 ASSI { 9282}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 75   and name HG2%)
      3.800     1.900     1.900 peak  9282 spectrum    1 weight  0.10000E+01 volume  0.10607E-02 ppm1      9.250 ppm2      0.677 CV     1
 ASSI { 8627}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB2 ))
      2.400     0.700     0.700 peak  8627 spectrum    1 weight  0.10000E+01 volume  0.42081E-02 ppm1      3.685 ppm2      2.027 CV     1
 OR { 8627}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB1 ))
 ASSI { 7683}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 1    and name HE22))
      3.000     3.000     3.000 peak  7683 spectrum    1 weight  0.10000E+01 volume  0.48176E-02 ppm1      0.637 ppm2      7.428 CV     1
 ASSI { 7684}
   (( segid "    " and resid 58   and name HB1 ))
   (( segid "    " and resid 64   and name HZ2 ))
      2.900     2.900     3.100 peak  7684 spectrum    1 weight  0.10000E+01 volume  0.33202E-02 ppm1      1.618 ppm2      7.424 CV     1
 ASSI { 7686}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 19   and name HN  ))
      3.100     1.200     1.200 peak  7686 spectrum    1 weight  0.10000E+01 volume  0.22414E-02 ppm1      2.802 ppm2      8.269 CV     1
 ASSI { 9292}
   (  segid "    " and resid 16   and name HE% )
   (( segid "    " and resid 101  and name HD2 ))
      3.900     1.900     1.900 peak  9292 spectrum    1 weight  0.10000E+01 volume  0.61674E-03 ppm1      6.790 ppm2      3.077 CV     1
 ASSI { 7692}
   (( segid "    " and resid 27   and name HA2 ))
   (( segid "    " and resid 28   and name HN  ))
      2.600     0.800     0.800 peak  7692 spectrum    1 weight  0.10000E+01 volume  0.49977E-02 ppm1      4.019 ppm2      7.966 CV     1
 ASSI { 8649}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 99   and name HB1 ))
      2.300     2.300     3.700 peak  8649 spectrum    1 weight  0.10000E+01 volume  0.16176E-01 ppm1      4.147 ppm2      1.482 CV     1
 ASSI { 8658}
   (( segid "    " and resid 38   and name HA1 ))
   (( segid "    " and resid 40   and name HB2 ))
      2.600     2.600     3.400 peak  8658 spectrum    1 weight  0.10000E+01 volume  0.67279E-02 ppm1      3.831 ppm2      1.636 CV     1
 ASSI { 8665}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 97   and name HB1 ))
      3.400     1.400     1.400 peak  8665 spectrum    1 weight  0.10000E+01 volume  0.12389E-02 ppm1      3.481 ppm2      1.842 CV     1
 OR { 8665}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 97   and name HB2 ))
 ASSI { 8673}
   (( segid "    " and resid 50   and name HD1 ))
   (( segid "    " and resid 46   and name HG2 ))
      5.900     4.400     0.100 peak  8673 spectrum    1 weight  0.10000E+01 volume  0.10916E-04 ppm1      3.046 ppm2      1.415 CV     1
 OR { 8673}
   (( segid "    " and resid 50   and name HD1 ))
   (( segid "    " and resid 46   and name HG1 ))
 ASSI { 8677}
   (( segid "    " and resid 90   and name HD2 ))
   (( segid "    " and resid 89   and name HD2 ))
      1.900     1.900     4.100 peak  8677 spectrum    1 weight  0.10000E+01 volume  0.96423E-02 ppm1      3.176 ppm2      1.594 CV     1
 OR { 8677}
   (( segid "    " and resid 90   and name HD1 ))
   (( segid "    " and resid 89   and name HD2 ))
 ASSI { 8686}
   (( segid "    " and resid 40   and name HE2 ))
   (( segid "    " and resid 62   and name HB1 ))
      2.500     2.500     3.500 peak  8686 spectrum    1 weight  0.10000E+01 volume  0.17265E-02 ppm1      2.821 ppm2      1.790 CV     1
 OR { 8686}
   (( segid "    " and resid 40   and name HE1 ))
   (( segid "    " and resid 62   and name HB1 ))
 ASSI { 8687}
   (( segid "    " and resid 113  and name HE1 ))
   (( segid "    " and resid 117  and name HG  ))
      1.800     0.400     0.400 peak  8687 spectrum    1 weight  0.10000E+01 volume  0.18119E-01 ppm1      2.901 ppm2      1.631 CV     1
 OR { 8687}
   (( segid "    " and resid 113  and name HE2 ))
   (( segid "    " and resid 117  and name HG  ))
 ASSI { 8692}
   (( segid "    " and resid 112  and name HG1 ))
   (  segid "    " and resid 115  and name HE% )
      3.200     3.200     2.800 peak  8692 spectrum    1 weight  0.10000E+01 volume  0.28654E-02 ppm1      2.515 ppm2      1.791 CV     1
 ASSI { 6300}
   (( segid "    " and resid 101  and name HG1 ))
   (( segid "    " and resid 101  and name HD1 ))
      3.300     1.400     1.400 peak  6300 spectrum    1 weight  0.10000E+01 volume  0.40207E-03 ppm1      0.316 ppm2      2.879 CV     1
 ASSI { 6302}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 18   and name HA  ))
      4.500     2.500     1.500 peak  6302 spectrum    1 weight  0.10000E+01 volume  0.32020E-03 ppm1      0.210 ppm2      4.014 CV     1
 ASSI { 6303}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 10   and name HA  ))
      4.300     2.300     1.700 peak  6303 spectrum    1 weight  0.10000E+01 volume  0.39479E-03 ppm1      0.210 ppm2      3.926 CV     1
 ASSI { 6308}
   (  segid "    " and resid 8    and name HG1%)
   (  segid "    " and resid 7    and name HD% )
      5.300     3.500     0.700 peak  6308 spectrum    1 weight  0.10000E+01 volume  0.11098E-03 ppm1      0.208 ppm2      7.081 CV     1
 ASSI { 6309}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 18   and name HZ  ))
      6.000     4.400     0.000 peak  6309 spectrum    1 weight  0.10000E+01 volume  0.34567E-04 ppm1      0.208 ppm2      6.991 CV     1
 ASSI { 6311}
   (  segid "    " and resid 8    and name HG1%)
   (  segid "    " and resid 13   and name HE% )
      6.000     4.900     0.000 peak  6311 spectrum    1 weight  0.10000E+01 volume  0.34567E-04 ppm1      0.209 ppm2      6.748 CV     1
 ASSI { 6319}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 9    and name HA  ))
      5.700     4.000     0.300 peak  6319 spectrum    1 weight  0.10000E+01 volume  0.56399E-04 ppm1      7.255 ppm2      4.963 CV     1
 ASSI { 6328}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 9    and name HA  ))
      3.200     3.200     2.800 peak  6328 spectrum    1 weight  0.10000E+01 volume  0.45665E-03 ppm1      1.895 ppm2      4.961 CV     1
 ASSI { 7303}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 84   and name HN  ))
      2.400     2.400     3.600 peak  7303 spectrum    1 weight  0.10000E+01 volume  0.23887E-02 ppm1      1.737 ppm2      8.528 CV     1
 ASSI { 6732}
   (( segid "    " and resid 121  and name HD22))
   (( segid "    " and resid 121  and name HN  ))
      3.800     1.800     1.800 peak  6732 spectrum    1 weight  0.10000E+01 volume  0.12026E-02 ppm1      7.465 ppm2      8.241 CV     1
 ASSI { 8348}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 34   and name HB1 ))
      3.500     1.600     1.600 peak  8348 spectrum    1 weight  0.10000E+01 volume  0.10152E-02 ppm1      4.804 ppm2      1.979 CV     1
 ASSI { 6745}
   (( segid "    " and resid 32   and name HE21))
   (( segid "    " and resid 31   and name HN  ))
      6.000     5.300     0.000 peak  6745 spectrum    1 weight  0.10000E+01 volume  0.25470E-04 ppm1      6.702 ppm2      7.925 CV     1
 ASSI { 6746}
   (( segid "    " and resid 44   and name HE  ))
   (( segid "    " and resid 66   and name HE1 ))
      3.600     1.700     1.700 peak  6746 spectrum    1 weight  0.10000E+01 volume  0.58036E-03 ppm1      7.207 ppm2      7.795 CV     1
 ASSI { 6753}
   (  segid "    " and resid 7    and name HD% )
   (( segid "    " and resid 72   and name HE1 ))
      3.500     3.500     2.500 peak  6753 spectrum    1 weight  0.10000E+01 volume  0.12444E-02 ppm1      7.088 ppm2      7.343 CV     1
 ASSI { 9303}
   (( segid "    " and resid 18   and name HZ  ))
   (( segid "    " and resid 101  and name HA  ))
      3.100     1.200     1.200 peak  9303 spectrum    1 weight  0.10000E+01 volume  0.18175E-02 ppm1      7.002 ppm2      3.082 CV     1
 ASSI { 7702}
   (  segid "    " and resid 119  and name HD1%)
   (( segid "    " and resid 120  and name HN  ))
      3.500     1.500     1.500 peak  7702 spectrum    1 weight  0.10000E+01 volume  0.10679E-02 ppm1      0.690 ppm2      7.967 CV     1
 ASSI { 7705}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 1    and name HE22))
      5.700     4.100     0.300 peak  7705 spectrum    1 weight  0.10000E+01 volume  0.98243E-04 ppm1      5.058 ppm2      7.418 CV     1
 ASSI { 9317}
   (( segid "    " and resid 18   and name HB2 ))
   (  segid "    " and resid 16   and name HE% )
      3.700     1.700     1.700 peak  9317 spectrum    1 weight  0.10000E+01 volume  0.13954E-02 ppm1      2.814 ppm2      6.794 CV     1
 OR { 9317}
   (( segid "    " and resid 18   and name HB1 ))
   (  segid "    " and resid 16   and name HE% )
 OR { 9317}
   (( segid "    " and resid 18   and name HB1 ))
   (  segid "    " and resid 16   and name HE% )
 ASSI { 7715}
   (( segid "    " and resid 65   and name HG1 ))
   (( segid "    " and resid 68   and name HN  ))
      5.300     3.600     0.700 peak  7715 spectrum    1 weight  0.10000E+01 volume  0.94603E-04 ppm1      2.286 ppm2      7.750 CV     1
 ASSI { 8378}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 42   and name HG2 ))
      3.000     3.000     3.000 peak  8378 spectrum    1 weight  0.10000E+01 volume  0.38788E-02 ppm1      4.530 ppm2      2.404 CV     1
 ASSI { 8379}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 70   and name HB1 ))
      5.900     4.300     0.100 peak  8379 spectrum    1 weight  0.10000E+01 volume  0.90963E-04 ppm1      4.529 ppm2      2.552 CV     1
 ASSI { 6778}
   (( segid "    " and resid 21   and name HD2 ))
   (  segid "    " and resid 18   and name HE% )
      3.600     1.600     1.600 peak  6778 spectrum    1 weight  0.10000E+01 volume  0.81504E-03 ppm1      3.300 ppm2      7.378 CV     1
 OR { 6778}
   (( segid "    " and resid 21   and name HD2 ))
   (  segid "    " and resid 18   and name HE% )
 OR { 6778}
   (( segid "    " and resid 21   and name HD1 ))
   (  segid "    " and resid 18   and name HE% )
 ASSI { 6779}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 99   and name HN  ))
      3.800     1.800     1.800 peak  6779 spectrum    1 weight  0.10000E+01 volume  0.40571E-03 ppm1      3.327 ppm2      7.193 CV     1
 ASSI { 8385}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
      4.100     2.100     1.900 peak  8385 spectrum    1 weight  0.10000E+01 volume  0.76044E-03 ppm1      4.630 ppm2      2.573 CV     1
 ASSI { 8388}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 68   and name HB1 ))
      3.600     3.600     2.400 peak  8388 spectrum    1 weight  0.10000E+01 volume  0.12153E-02 ppm1      4.537 ppm2      2.758 CV     1
 ASSI { 9335}
   (  segid "    " and resid 18   and name HE% )
   (( segid "    " and resid 101  and name HD2 ))
      3.500     1.600     1.600 peak  9335 spectrum    1 weight  0.10000E+01 volume  0.86964E-03 ppm1      7.367 ppm2      3.083 CV     1
 OR { 9335}
   (  segid "    " and resid 18   and name HE% )
   (( segid "    " and resid 101  and name HA  ))
 ASSI { 8390}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 46   and name HE2 ))
      3.000     1.100     1.100 peak  8390 spectrum    1 weight  0.10000E+01 volume  0.13045E-02 ppm1      4.618 ppm2      2.878 CV     1
 OR { 8390}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 46   and name HE1 ))
 ASSI { 6793}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 3    and name HE21))
      5.000     3.200     1.000 peak  6793 spectrum    1 weight  0.10000E+01 volume  0.28018E-03 ppm1      1.102 ppm2      6.616 CV     1
 ASSI { 8701}
   (( segid "    " and resid 46   and name HE1 ))
   (( segid "    " and resid 11   and name HG1 ))
      2.300     2.300     3.700 peak  8701 spectrum    1 weight  0.10000E+01 volume  0.74610E-02 ppm1      2.894 ppm2      1.401 CV     1
 OR { 8701}
   (( segid "    " and resid 46   and name HE2 ))
   (( segid "    " and resid 11   and name HG1 ))
 ASSI { 8707}
   (( segid "    " and resid 101  and name HD1 ))
   (  segid "    " and resid 102  and name HB% )
      3.400     3.400     2.600 peak  8707 spectrum    1 weight  0.10000E+01 volume  0.20467E-02 ppm1      2.866 ppm2      1.208 CV     1
 ASSI { 7776}
   (( segid "    " and resid 10   and name HB  ))
   (  segid "    " and resid 13   and name HD% )
      3.700     3.700     2.300 peak  7776 spectrum    1 weight  0.10000E+01 volume  0.11698E-02 ppm1      2.148 ppm2      7.254 CV     1
 ASSI { 8720}
   (( segid "    " and resid 92   and name HA  ))
   (  segid "    " and resid 6    and name HD1%)
      3.500     1.500     1.500 peak  8720 spectrum    1 weight  0.10000E+01 volume  0.15592E-02 ppm1      3.215 ppm2      0.767 CV     1
 ASSI { 8730}
   (( segid "    " and resid 116  and name HG1 ))
   (( segid "    " and resid 112  and name HG2 ))
      1.900     0.500     0.500 peak  8730 spectrum    1 weight  0.10000E+01 volume  0.97257E-02 ppm1      2.055 ppm2      2.577 CV     1
 ASSI { 8742}
   (( segid "    " and resid 36   and name HB2 ))
   (  segid "    " and resid 37   and name HG2%)
      2.800     1.000     1.000 peak  8742 spectrum    1 weight  0.10000E+01 volume  0.27672E-02 ppm1      2.092 ppm2      1.113 CV     1
 ASSI { 8743}
   (( segid "    " and resid 36   and name HB1 ))
   (  segid "    " and resid 37   and name HG2%)
      3.100     1.200     1.200 peak  8743 spectrum    1 weight  0.10000E+01 volume  0.34367E-02 ppm1      1.969 ppm2      1.113 CV     1
 ASSI { 8748}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 77   and name HG2%)
      2.500     0.800     0.800 peak  8748 spectrum    1 weight  0.10000E+01 volume  0.36186E-02 ppm1      2.571 ppm2      0.887 CV     1
 ASSI { 8751}
   (( segid "    " and resid 44   and name HD2 ))
   (( segid "    " and resid 5    and name HG2 ))
      2.700     2.700     3.300 peak  8751 spectrum    1 weight  0.10000E+01 volume  0.25907E-02 ppm1      2.390 ppm2      0.995 CV     1
 ASSI { 8755}
   (  segid "    " and resid 92   and name HG1%)
   (( segid "    " and resid 93   and name HG2 ))
      2.400     0.700     0.700 peak  8755 spectrum    1 weight  0.10000E+01 volume  0.70862E-02 ppm1      0.821 ppm2      2.314 CV     1
 OR { 8755}
   (  segid "    " and resid 92   and name HG1%)
   (( segid "    " and resid 93   and name HG1 ))
 ASSI { 8761}
   (  segid "    " and resid 127  and name HB% )
   (( segid "    " and resid 128  and name HB2 ))
      3.800     1.800     1.800 peak  8761 spectrum    1 weight  0.10000E+01 volume  0.67494E-03 ppm1      1.282 ppm2      2.725 CV     1
 ASSI { 7037}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HE21))
      4.700     2.800     1.300 peak  7037 spectrum    1 weight  0.10000E+01 volume  0.26562E-03 ppm1      3.912 ppm2      6.705 CV     1
 ASSI { 8777}
   (( segid "    " and resid 3    and name HB1 ))
   (( segid "    " and resid 74   and name HG  ))
      2.400     0.700     0.700 peak  8777 spectrum    1 weight  0.10000E+01 volume  0.33475E-02 ppm1      1.745 ppm2      1.195 CV     1
 ASSI { 8785}
   (( segid "    " and resid 18   and name HB2 ))
   (  segid "    " and resid 99   and name HD2%)
      3.200     1.300     1.300 peak  8785 spectrum    1 weight  0.10000E+01 volume  0.17010E-02 ppm1      2.823 ppm2      0.686 CV     1
 OR { 8785}
   (( segid "    " and resid 18   and name HB1 ))
   (  segid "    " and resid 99   and name HD2%)
 OR { 8785}
   (( segid "    " and resid 18   and name HB1 ))
   (  segid "    " and resid 99   and name HD2%)
 ASSI { 7046}
   (( segid "    " and resid 120  and name HA  ))
   (( segid "    " and resid 121  and name HD21))
      3.500     1.500     1.500 peak  7046 spectrum    1 weight  0.10000E+01 volume  0.11698E-02 ppm1      4.144 ppm2      6.847 CV     1
 ASSI { 7050}
   (  segid "    " and resid 118  and name HB% )
   (( segid "    " and resid 121  and name HD21))
      3.800     1.800     1.800 peak  7050 spectrum    1 weight  0.10000E+01 volume  0.45301E-03 ppm1      1.357 ppm2      6.847 CV     1
 ASSI { 8002}
   (( segid "    " and resid 21   and name HD1 ))
   (( segid "    " and resid 98   and name HA  ))
      3.100     1.200     1.200 peak  8002 spectrum    1 weight  0.10000E+01 volume  0.11443E-02 ppm1      3.316 ppm2      4.163 CV     1
 OR { 8002}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 98   and name HA  ))
 OR { 8002}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 98   and name HA  ))
 ASSI { 8004}
   (( segid "    " and resid 21   and name HD1 ))
   (( segid "    " and resid 98   and name HA  ))
      2.900     1.000     1.000 peak  8004 spectrum    1 weight  0.10000E+01 volume  0.18721E-02 ppm1      3.240 ppm2      4.164 CV     1
 ASSI { 8008}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 47   and name HA2 ))
      3.800     1.800     1.800 peak  8008 spectrum    1 weight  0.10000E+01 volume  0.61856E-03 ppm1      3.619 ppm2      4.290 CV     1
 ASSI { 7071}
   (  segid "    " and resid 120  and name HD2%)
   (( segid "    " and resid 121  and name HN  ))
      3.300     1.300     1.300 peak  7071 spectrum    1 weight  0.10000E+01 volume  0.28691E-02 ppm1      0.828 ppm2      8.223 CV     1
 ASSI { 8029}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 1    and name HA  ))
      3.900     1.900     1.900 peak  8029 spectrum    1 weight  0.10000E+01 volume  0.81144E-03 ppm1      8.501 ppm2      5.052 CV     1
 ASSI { 8031}
   (  segid "    " and resid 43   and name HG1%)
   (( segid "    " and resid 19   and name HA  ))
      2.600     0.900     0.900 peak  8031 spectrum    1 weight  0.10000E+01 volume  0.27053E-02 ppm1      0.738 ppm2      3.287 CV     1
 ASSI { 8052}
   (( segid "    " and resid 63   and name HD22))
   (( segid "    " and resid 64   and name HB2 ))
      4.200     2.200     1.800 peak  8052 spectrum    1 weight  0.10000E+01 volume  0.40935E-03 ppm1      7.253 ppm2      3.311 CV     1
 ASSI { 8053}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 21   and name HD1 ))
      4.400     2.400     1.600 peak  8053 spectrum    1 weight  0.10000E+01 volume  0.17101E-03 ppm1      7.198 ppm2      3.311 CV     1
 OR { 8053}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 21   and name HD2 ))
 OR { 8053}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 21   and name HD2 ))
 ASSI { 9000}
   (  segid "    " and resid 13   and name HE% )
   (( segid "    " and resid 10   and name HA  ))
      4.300     2.300     1.700 peak  9000 spectrum    1 weight  0.10000E+01 volume  0.48940E-03 ppm1      6.751 ppm2      3.926 CV     1
 ASSI { 7412}
   (( segid "    " and resid 44   and name HD1 ))
   (( segid "    " and resid 66   and name HD2 ))
      3.300     3.300     2.700 peak  7412 spectrum    1 weight  0.10000E+01 volume  0.80777E-03 ppm1      2.309 ppm2      7.090 CV     1
 ASSI { 7422}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HA  ))
      2.700     0.900     0.900 peak  7422 spectrum    1 weight  0.10000E+01 volume  0.37350E-02 ppm1      2.276 ppm2      4.366 CV     1
 ASSI { 6494}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 2    and name HN  ))
      3.500     1.500     1.500 peak  6494 spectrum    1 weight  0.10000E+01 volume  0.72411E-03 ppm1      8.039 ppm2      8.687 CV     1
 ASSI { 9041}
   (( segid "    " and resid 68   and name HD22))
   (( segid "    " and resid 65   and name HA  ))
      2.900     1.000     1.000 peak  9041 spectrum    1 weight  0.10000E+01 volume  0.15518E-02 ppm1      7.609 ppm2      3.894 CV     1
 ASSI { 7446}
   (( segid "    " and resid 64   and name HD1 ))
   (( segid "    " and resid 60   and name HN  ))
      5.500     3.800     0.500 peak  7446 spectrum    1 weight  0.10000E+01 volume  0.29109E-04 ppm1      7.005 ppm2      8.631 CV     1
 ASSI { 8402}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 66   and name HB1 ))
      2.600     2.600     3.400 peak  8402 spectrum    1 weight  0.10000E+01 volume  0.41844E-02 ppm1      4.527 ppm2      3.071 CV     1
 OR { 8402}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 66   and name HB2 ))
 ASSI { 7461}
   (  segid "    " and resid 127  and name HB% )
   (( segid "    " and resid 129  and name HN  ))
      3.700     1.700     1.700 peak  7461 spectrum    1 weight  0.10000E+01 volume  0.89144E-03 ppm1      1.296 ppm2      7.835 CV     1
 ASSI { 9067}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 112  and name HA  ))
      2.600     2.600     3.400 peak  9067 spectrum    1 weight  0.10000E+01 volume  0.50631E-02 ppm1      7.872 ppm2      4.214 CV     1
 ASSI { 6807}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 68   and name HD22))
      5.400     3.700     0.600 peak  6807 spectrum    1 weight  0.10000E+01 volume  0.74591E-04 ppm1      4.535 ppm2      7.593 CV     1
 ASSI { 7466}
   (( segid "    " and resid 46   and name HE2 ))
   (( segid "    " and resid 70   and name HN  ))
      4.000     2.000     2.000 peak  7466 spectrum    1 weight  0.10000E+01 volume  0.36204E-03 ppm1      2.916 ppm2      8.634 CV     1
 OR { 7466}
   (( segid "    " and resid 46   and name HE1 ))
   (( segid "    " and resid 70   and name HN  ))
 ASSI { 7478}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 64   and name HZ2 ))
      2.600     0.900     0.900 peak  7478 spectrum    1 weight  0.10000E+01 volume  0.17647E-02 ppm1      1.479 ppm2      7.391 CV     1
 ASSI { 9080}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 119  and name HA  ))
      2.800     2.800     3.200 peak  9080 spectrum    1 weight  0.10000E+01 volume  0.40880E-02 ppm1      7.872 ppm2      3.883 CV     1
 ASSI { 7485}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 72   and name HE1 ))
      4.900     3.000     1.100 peak  7485 spectrum    1 weight  0.10000E+01 volume  0.19285E-03 ppm1      8.582 ppm2      7.359 CV     1
 ASSI { 8442}
   (( segid "    " and resid 38   and name HA2 ))
   (( segid "    " and resid 38   and name HA1 ))
      2.200     0.600     0.600 peak  8442 spectrum    1 weight  0.10000E+01 volume  0.44045E-02 ppm1      4.057 ppm2      3.809 CV     1
 ASSI { 8445}
   (( segid "    " and resid 116  and name HA  ))
   (( segid "    " and resid 112  and name HA  ))
      3.500     1.500     1.500 peak  8445 spectrum    1 weight  0.10000E+01 volume  0.30874E-02 ppm1      3.996 ppm2      4.219 CV     1
 ASSI { 8447}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 87   and name HA  ))
      2.800     2.800     3.200 peak  8447 spectrum    1 weight  0.10000E+01 volume  0.58982E-02 ppm1      4.059 ppm2      3.866 CV     1
 ASSI { 7803}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 10   and name HN  ))
      5.000     3.200     1.000 peak  7803 spectrum    1 weight  0.10000E+01 volume  0.16556E-03 ppm1      2.824 ppm2      8.462 CV     1
 OR { 7803}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 10   and name HN  ))
 OR { 7803}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
 ASSI { 8465}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 123  and name HB  ))
      3.200     1.300     1.300 peak  8465 spectrum    1 weight  0.10000E+01 volume  0.25688E-02 ppm1      4.392 ppm2      4.111 CV     1
 ASSI { 8466}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 33   and name HA  ))
      3.600     1.600     1.600 peak  8466 spectrum    1 weight  0.10000E+01 volume  0.18229E-02 ppm1      4.360 ppm2      4.074 CV     1
 ASSI { 8468}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 108  and name HB2 ))
      3.500     1.500     1.500 peak  8468 spectrum    1 weight  0.10000E+01 volume  0.15191E-02 ppm1      4.480 ppm2      3.827 CV     1
 OR { 8468}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 108  and name HB1 ))
 ASSI { 6866}
   (( segid "    " and resid 12   and name HG1 ))
   (  segid "    " and resid 13   and name HE% )
      3.500     1.500     1.500 peak  6866 spectrum    1 weight  0.10000E+01 volume  0.16574E-02 ppm1      1.912 ppm2      6.746 CV     1
 ASSI { 8486}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HE2 ))
      2.900     1.100     1.100 peak  8486 spectrum    1 weight  0.10000E+01 volume  0.32766E-02 ppm1      4.074 ppm2      2.924 CV     1
 OR { 8486}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HE1 ))
 ASSI { 8490}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 18   and name HB2 ))
      3.500     3.500     2.500 peak  8490 spectrum    1 weight  0.10000E+01 volume  0.15828E-02 ppm1      3.890 ppm2      2.832 CV     1
 OR { 8490}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 18   and name HB1 ))
 OR { 8490}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 18   and name HB1 ))
 ASSI { 8493}
   (( segid "    " and resid 60   and name HA1 ))
   (( segid "    " and resid 64   and name HB1 ))
      3.900     1.900     1.900 peak  8493 spectrum    1 weight  0.10000E+01 volume  0.23324E-02 ppm1      3.999 ppm2      2.874 CV     1
 ASSI { 8495}
   (( segid "    " and resid 127  and name HA  ))
   (( segid "    " and resid 128  and name HB2 ))
      4.400     2.400     1.600 peak  8495 spectrum    1 weight  0.10000E+01 volume  0.40571E-03 ppm1      4.113 ppm2      2.731 CV     1
 ASSI { 6899}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 85   and name HA  ))
      5.500     3.800     0.500 peak  6899 spectrum    1 weight  0.10000E+01 volume  0.10734E-03 ppm1      4.002 ppm2      3.648 CV     1
 ASSI { 8803}
   (( segid "    " and resid 41   and name HB  ))
   (  segid "    " and resid 75   and name HD1%)
      2.800     2.800     3.200 peak  8803 spectrum    1 weight  0.10000E+01 volume  0.98155E-02 ppm1      1.552 ppm2      0.583 CV     1
 ASSI { 8804}
   (( segid "    " and resid 88   and name HB1 ))
   (  segid "    " and resid 75   and name HD1%)
      2.900     1.000     1.000 peak  8804 spectrum    1 weight  0.10000E+01 volume  0.62785E-02 ppm1      1.316 ppm2      0.602 CV     1
 ASSI { 8806}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 8    and name HG2%)
      3.000     3.000     3.000 peak  8806 spectrum    1 weight  0.10000E+01 volume  0.30947E-02 ppm1      2.105 ppm2      0.597 CV     1
 ASSI { 8808}
   (( segid "    " and resid 44   and name HD2 ))
   (  segid "    " and resid 74   and name HD1%)
      2.400     0.700     0.700 peak  8808 spectrum    1 weight  0.10000E+01 volume  0.24543E-02 ppm1      2.411 ppm2      0.636 CV     1
 ASSI { 8811}
   (( segid "    " and resid 33   and name HB1 ))
   (  segid "    " and resid 41   and name HD1%)
      3.300     1.300     1.300 peak  8811 spectrum    1 weight  0.10000E+01 volume  0.25561E-02 ppm1      1.286 ppm2      0.562 CV     1
 ASSI { 8818}
   (( segid "    " and resid 100  and name HB  ))
   (  segid "    " and resid 99   and name HD1%)
      4.200     2.300     1.800 peak  8818 spectrum    1 weight  0.10000E+01 volume  0.80050E-04 ppm1      1.932 ppm2      0.585 CV     1
 ASSI { 8820}
   (( segid "    " and resid 101  and name HD1 ))
   (  segid "    " and resid 100  and name HG1%)
      3.000     1.100     1.100 peak  8820 spectrum    1 weight  0.10000E+01 volume  0.56289E-02 ppm1      2.883 ppm2      0.789 CV     1
 ASSI { 8847}
   (( segid "    " and resid 89   and name HA  ))
   (  segid "    " and resid 75   and name HD1%)
      2.900     1.000     1.000 peak  8847 spectrum    1 weight  0.10000E+01 volume  0.16519E-02 ppm1      3.797 ppm2      0.600 CV     1
 ASSI { 8857}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 41   and name HA  ))
      2.600     0.800     0.800 peak  8857 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.486 ppm2      4.536 CV     1
 ASSI { 8860}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 101  and name HG1 ))
      4.000     2.000     2.000 peak  8860 spectrum    1 weight  0.10000E+01 volume  0.11098E-03 ppm1      4.139 ppm2      0.331 CV     1
 ASSI { 8869}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 8    and name HG2%)
      2.800     2.800     3.200 peak  8869 spectrum    1 weight  0.10000E+01 volume  0.39279E-02 ppm1      4.598 ppm2      0.593 CV     1
 ASSI { 8878}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 43   and name HG1%)
      2.500     0.800     0.800 peak  8878 spectrum    1 weight  0.10000E+01 volume  0.35858E-02 ppm1      4.375 ppm2      0.733 CV     1
 ASSI { 8882}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 43   and name HG1%)
      2.500     0.800     0.800 peak  8882 spectrum    1 weight  0.10000E+01 volume  0.40280E-02 ppm1      4.528 ppm2      0.731 CV     1
 ASSI { 7143}
   (  segid "    " and resid 120  and name HD1%)
   (( segid "    " and resid 128  and name HN  ))
      3.200     1.200     1.200 peak  7143 spectrum    1 weight  0.10000E+01 volume  0.12790E-02 ppm1      0.791 ppm2      8.360 CV     1
 ASSI { 8886}
   (( segid "    " and resid 92   and name HB  ))
   (  segid "    " and resid 75   and name HG2%)
      2.100     0.600     0.600 peak  8886 spectrum    1 weight  0.10000E+01 volume  0.64347E-02 ppm1      2.100 ppm2      0.682 CV     1
 ASSI { 8888}
   (( segid "    " and resid 10   and name HB  ))
   (  segid "    " and resid 71   and name HD2%)
      2.200     0.600     0.600 peak  8888 spectrum    1 weight  0.10000E+01 volume  0.78395E-02 ppm1      2.125 ppm2      0.732 CV     1
 ASSI { 8891}
   (( segid "    " and resid 44   and name HD1 ))
   (  segid "    " and resid 74   and name HD1%)
      3.200     1.300     1.300 peak  8891 spectrum    1 weight  0.10000E+01 volume  0.28399E-02 ppm1      2.303 ppm2      0.638 CV     1
 ASSI { 8141}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 21   and name HD1 ))
      4.100     2.100     1.900 peak  8141 spectrum    1 weight  0.10000E+01 volume  0.39479E-03 ppm1      2.822 ppm2      3.215 CV     1
 OR { 8141}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 21   and name HD1 ))
 OR { 8141}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 21   and name HD1 ))
 ASSI { 8147}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 19   and name HA  ))
      2.900     2.900     3.100 peak  8147 spectrum    1 weight  0.10000E+01 volume  0.24106E-02 ppm1      1.838 ppm2      3.303 CV     1
 ASSI { 8159}
   (  segid "    " and resid 98   and name HD2%)
   (( segid "    " and resid 21   and name HD1 ))
      2.400     2.400     3.600 peak  8159 spectrum    1 weight  0.10000E+01 volume  0.49467E-02 ppm1      0.863 ppm2      3.219 CV     1
 ASSI { 8170}
   (( segid "    " and resid 21   and name HD1 ))
   (( segid "    " and resid 18   and name HB1 ))
      3.500     1.500     1.500 peak  8170 spectrum    1 weight  0.10000E+01 volume  0.74591E-03 ppm1      3.300 ppm2      2.830 CV     1
 OR { 8170}
   (( segid "    " and resid 21   and name HD1 ))
   (( segid "    " and resid 18   and name HB1 ))
 OR { 8170}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 18   and name HB1 ))
 OR { 8170}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 18   and name HB1 ))
 OR { 8170}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 18   and name HB1 ))
 OR { 8170}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 18   and name HB1 ))
 ASSI { 9122}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 45   and name HA1 ))
      3.000     1.100     1.100 peak  9122 spectrum    1 weight  0.10000E+01 volume  0.49813E-02 ppm1      8.070 ppm2      4.299 CV     1
 ASSI { 8189}
   (( segid "    " and resid 92   and name HA  ))
   (  segid "    " and resid 92   and name HG2%)
      2.600     0.800     0.800 peak  8189 spectrum    1 weight  0.10000E+01 volume  0.37733E-02 ppm1      3.217 ppm2      0.842 CV     1
 OR { 8189}
   (( segid "    " and resid 92   and name HA  ))
   (  segid "    " and resid 92   and name HG1%)
 ASSI { 7542}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      3.400     1.400     1.400 peak  7542 spectrum    1 weight  0.10000E+01 volume  0.10461E-02 ppm1      8.169 ppm2      7.603 CV     1
 ASSI { 7546}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 20   and name HN  ))
      4.000     2.000     2.000 peak  7546 spectrum    1 weight  0.10000E+01 volume  0.71501E-03 ppm1      2.820 ppm2      7.592 CV     1
 OR { 7546}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 20   and name HN  ))
 OR { 7546}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI { 7584}
   (( segid "    " and resid 99   and name HB1 ))
   (( segid "    " and resid 96   and name HN  ))
      2.900     2.900     3.100 peak  7584 spectrum    1 weight  0.10000E+01 volume  0.22832E-02 ppm1      1.493 ppm2      8.588 CV     1
 ASSI { 8531}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 62   and name HB2 ))
      4.300     2.300     1.700 peak  8531 spectrum    1 weight  0.10000E+01 volume  0.48030E-03 ppm1      3.003 ppm2      2.278 CV     1
 ASSI { 7594}
   (( segid "    " and resid 41   and name HB  ))
   (( segid "    " and resid 76   and name HN  ))
      3.000     1.100     1.100 peak  7594 spectrum    1 weight  0.10000E+01 volume  0.38478E-02 ppm1      1.545 ppm2      8.695 CV     1
 ASSI { 7904}
   (( segid "    " and resid 43   and name HB  ))
   (( segid "    " and resid 44   and name HA  ))
      2.500     2.500     3.500 peak  7904 spectrum    1 weight  0.10000E+01 volume  0.47156E-02 ppm1      1.889 ppm2      4.299 CV     1
 ASSI { 8576}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 112  and name HG1 ))
      2.400     0.700     0.700 peak  8576 spectrum    1 weight  0.10000E+01 volume  0.48958E-02 ppm1      4.124 ppm2      2.497 CV     1
 ASSI { 8577}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HG2 ))
      2.500     0.800     0.800 peak  8577 spectrum    1 weight  0.10000E+01 volume  0.59637E-02 ppm1      4.067 ppm2      2.334 CV     1
 OR { 8577}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HG1 ))
 ASSI { 8584}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 8    and name HA  ))
      2.500     2.500     3.500 peak  8584 spectrum    1 weight  0.10000E+01 volume  0.18484E-02 ppm1      2.582 ppm2      3.888 CV     1
 ASSI { 7933}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 92   and name HB  ))
      5.200     3.400     0.800 peak  7933 spectrum    1 weight  0.10000E+01 volume  0.13645E-03 ppm1      0.486 ppm2      2.134 CV     1
 ASSI { 8593}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 128  and name HB1 ))
      2.800     2.800     3.200 peak  8593 spectrum    1 weight  0.10000E+01 volume  0.23651E-02 ppm1      4.183 ppm2      2.647 CV     1
 ASSI { 7946}
   (  segid "    " and resid 117  and name HD1%)
   (( segid "    " and resid 113  and name HE1 ))
      2.800     1.000     1.000 peak  7946 spectrum    1 weight  0.10000E+01 volume  0.47557E-02 ppm1      0.797 ppm2      2.883 CV     1
 OR { 7946}
   (  segid "    " and resid 117  and name HD2%)
   (( segid "    " and resid 113  and name HE1 ))
 OR { 7946}
   (  segid "    " and resid 117  and name HD1%)
   (( segid "    " and resid 113  and name HE2 ))
 OR { 7946}
   (  segid "    " and resid 117  and name HD2%)
   (( segid "    " and resid 113  and name HE2 ))
 ASSI { 7948}
   (  segid "    " and resid 102  and name HB% )
   (( segid "    " and resid 101  and name HD2 ))
      3.400     3.400     2.600 peak  7948 spectrum    1 weight  0.10000E+01 volume  0.30564E-03 ppm1      1.212 ppm2      3.076 CV     1
 ASSI { 7956}
   (  segid "    " and resid 35   and name HB% )
   (( segid "    " and resid 34   and name HG1 ))
      2.900     1.000     1.000 peak  7956 spectrum    1 weight  0.10000E+01 volume  0.35531E-02 ppm1      1.474 ppm2      2.240 CV     1
 OR { 7956}
   (  segid "    " and resid 35   and name HB% )
   (( segid "    " and resid 34   and name HG2 ))
 ASSI { 7959}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 34   and name HG2 ))
      2.700     2.700     3.300 peak  7959 spectrum    1 weight  0.10000E+01 volume  0.43281E-02 ppm1      1.110 ppm2      2.235 CV     1
 OR { 7959}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 34   and name HB2 ))
 ASSI { 7971}
   (( segid "    " and resid 104  and name HG1 ))
   (( segid "    " and resid 106  and name HA  ))
      2.200     2.200     3.800 peak  7971 spectrum    1 weight  0.10000E+01 volume  0.13397E-01 ppm1      2.164 ppm2      4.145 CV     1
 OR { 7971}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 106  and name HA  ))
 ASSI { 7973}
   (( segid "    " and resid 42   and name HG1 ))
   (( segid "    " and resid 76   and name HB  ))
      2.600     2.600     3.400 peak  7973 spectrum    1 weight  0.10000E+01 volume  0.96771E-02 ppm1      2.143 ppm2      3.983 CV     1
 ASSI { 7974}
   (( segid "    " and resid 113  and name HE2 ))
   (( segid "    " and resid 114  and name HA  ))
      2.600     0.900     0.900 peak  7974 spectrum    1 weight  0.10000E+01 volume  0.36932E-02 ppm1      2.884 ppm2      4.139 CV     1
 OR { 7974}
   (( segid "    " and resid 113  and name HE1 ))
   (( segid "    " and resid 114  and name HA  ))
 ASSI { 8953}
   (( segid "    " and resid 68   and name HD21))
   (( segid "    " and resid 64   and name HA  ))
      3.700     1.700     1.700 peak  8953 spectrum    1 weight  0.10000E+01 volume  0.44937E-03 ppm1      7.008 ppm2      4.345 CV     1
 ASSI { 8954}
   (( segid "    " and resid 63   and name HD21))
   (( segid "    " and resid 64   and name HA  ))
      4.900     3.000     1.100 peak  8954 spectrum    1 weight  0.10000E+01 volume  0.18375E-03 ppm1      6.842 ppm2      4.353 CV     1
 ASSI { 7252}
   (( segid "    " and resid 89   and name HG1 ))
   (( segid "    " and resid 90   and name HN  ))
      3.000     1.100     1.100 peak  7252 spectrum    1 weight  0.10000E+01 volume  0.10061E-02 ppm1      1.345 ppm2      7.526 CV     1
 OR { 7252}
   (( segid "    " and resid 89   and name HG2 ))
   (( segid "    " and resid 90   and name HN  ))
 ASSI { 8210}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 74   and name HB1 ))
      4.200     2.200     1.800 peak  8210 spectrum    1 weight  0.10000E+01 volume  0.64588E-03 ppm1      4.524 ppm2      1.106 CV     1
 ASSI { 8213}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 5    and name HB1 ))
      3.400     1.500     1.500 peak  8213 spectrum    1 weight  0.10000E+01 volume  0.11662E-02 ppm1      4.327 ppm2      1.050 CV     1
 ASSI { 6634}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
      4.000     2.000     2.000 peak  6634 spectrum    1 weight  0.10000E+01 volume  0.68954E-03 ppm1      0.613 ppm2      5.056 CV     1
 ASSI { 6638}
   (( segid "    " and resid 88   and name HA  ))
   (  segid "    " and resid 75   and name HG2%)
      2.700     0.900     0.900 peak  6638 spectrum    1 weight  0.10000E+01 volume  0.36350E-02 ppm1      3.988 ppm2      0.684 CV     1
 ASSI { 7295}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      3.400     1.500     1.500 peak  7295 spectrum    1 weight  0.10000E+01 volume  0.80960E-03 ppm1      4.382 ppm2      8.607 CV     1
 ASSI { 6641}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 3    and name HE21))
      3.500     1.500     1.500 peak  6641 spectrum    1 weight  0.10000E+01 volume  0.53669E-03 ppm1      0.673 ppm2      6.606 CV     1
 ASSI { 8258}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 77   and name HG2%)
      3.300     1.400     1.400 peak  8258 spectrum    1 weight  0.10000E+01 volume  0.12954E-02 ppm1      5.050 ppm2      0.887 CV     1
 ASSI { 8259}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
      3.500     1.500     1.500 peak  8259 spectrum    1 weight  0.10000E+01 volume  0.12099E-02 ppm1      5.052 ppm2      0.933 CV     1
 ASSI { 7609}
   (  segid "    " and resid 123  and name HG2%)
   (( segid "    " and resid 121  and name HD22))
      3.100     3.100     2.900 peak  7609 spectrum    1 weight  0.10000E+01 volume  0.24615E-02 ppm1      0.997 ppm2      7.446 CV     1
 ASSI { 6671}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HB2 ))
      5.200     3.300     0.800 peak  6671 spectrum    1 weight  0.10000E+01 volume  0.32202E-03 ppm1      4.632 ppm2      3.012 CV     1
 ASSI { 9220}
   (( segid "    " and resid 64   and name HE1 ))
   (( segid "    " and resid 63   and name HD22))
      4.300     2.300     1.700 peak  9220 spectrum    1 weight  0.10000E+01 volume  0.21650E-03 ppm1     10.028 ppm2      7.217 CV     1
 ASSI { 9227}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      5.300     3.500     0.700 peak  9227 spectrum    1 weight  0.10000E+01 volume  0.49122E-04 ppm1      9.831 ppm2      3.871 CV     1
 ASSI { 8287}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 75   and name HD1%)
      3.800     1.800     1.800 peak  8287 spectrum    1 weight  0.10000E+01 volume  0.10443E-02 ppm1      5.053 ppm2      0.610 CV     1
 ASSI { 8288}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 41   and name HD1%)
      4.600     2.600     1.400 peak  8288 spectrum    1 weight  0.10000E+01 volume  0.32202E-03 ppm1      5.054 ppm2      0.562 CV     1
 ASSI { 8291}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 71   and name HD1%)
      3.000     1.200     1.200 peak  8291 spectrum    1 weight  0.10000E+01 volume  0.15319E-02 ppm1      5.103 ppm2      0.592 CV     1
 ASSI { 9252}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 71   and name HD1%)
      5.200     3.400     0.800 peak  9252 spectrum    1 weight  0.10000E+01 volume  0.87330E-04 ppm1      9.831 ppm2      0.592 CV     1
 ASSI { 8601}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 113  and name HB2 ))
      2.500     2.500     3.500 peak  8601 spectrum    1 weight  0.10000E+01 volume  0.11172E-01 ppm1      4.219 ppm2      2.055 CV     1
 OR { 8601}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 113  and name HB1 ))
 ASSI { 8606}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 9    and name HG2 ))
      3.400     1.400     1.400 peak  8606 spectrum    1 weight  0.10000E+01 volume  0.32275E-02 ppm1      3.795 ppm2      2.252 CV     1
 ASSI { 8608}
   (( segid "    " and resid 105  and name HA2 ))
   (( segid "    " and resid 104  and name HG1 ))
      2.700     0.900     0.900 peak  8608 spectrum    1 weight  0.10000E+01 volume  0.48849E-02 ppm1      3.924 ppm2      2.148 CV     1
 OR { 8608}
   (( segid "    " and resid 105  and name HA2 ))
   (( segid "    " and resid 104  and name HG1 ))
 OR { 8608}
   (( segid "    " and resid 105  and name HA2 ))
   (( segid "    " and resid 104  and name HG2 ))
 OR { 8608}
   (( segid "    " and resid 105  and name HA2 ))
   (( segid "    " and resid 104  and name HG2 ))
 OR { 8608}
   (( segid "    " and resid 105  and name HA1 ))
   (( segid "    " and resid 104  and name HG1 ))
 ASSI { 8609}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 21   and name HB2 ))
      2.700     0.900     0.900 peak  8609 spectrum    1 weight  0.10000E+01 volume  0.96625E-02 ppm1      4.021 ppm2      2.003 CV     1
 ASSI { 7661}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 68   and name HD22))
      3.700     1.800     1.800 peak  7661 spectrum    1 weight  0.10000E+01 volume  0.13427E-02 ppm1      3.900 ppm2      7.602 CV     1
 ASSI { 8612}
   (( segid "    " and resid 108  and name HB1 ))
   (( segid "    " and resid 112  and name HB2 ))
      5.300     3.500     0.700 peak  8612 spectrum    1 weight  0.10000E+01 volume  0.69131E-04 ppm1      3.845 ppm2      2.052 CV     1
 OR { 8612}
   (( segid "    " and resid 108  and name HB2 ))
   (( segid "    " and resid 112  and name HB2 ))
 OR { 8612}
   (( segid "    " and resid 108  and name HB1 ))
   (( segid "    " and resid 112  and name HB1 ))
 ASSI { 7674}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 27   and name HN  ))
      4.200     2.200     1.800 peak  7674 spectrum    1 weight  0.10000E+01 volume  0.39661E-03 ppm1      0.578 ppm2      7.860 CV     1
 ASSI { 8622}
   (( segid "    " and resid 47   and name HA2 ))
   (( segid "    " and resid 19   and name HB  ))
      2.200     2.200     3.800 peak  8622 spectrum    1 weight  0.10000E+01 volume  0.41171E-02 ppm1      4.305 ppm2      1.954 CV     1
 ASSI { 8636}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 73   and name HB  ))
      3.400     1.500     1.500 peak  8636 spectrum    1 weight  0.10000E+01 volume  0.20031E-02 ppm1      4.365 ppm2      1.786 CV     1
 ASSI { 8641}
   (( segid "    " and resid 128  and name HA  ))
   (( segid "    " and resid 120  and name HG  ))
      2.400     0.700     0.700 peak  8641 spectrum    1 weight  0.10000E+01 volume  0.45774E-02 ppm1      4.531 ppm2      1.567 CV     1
 ASSI { 8660}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HB1 ))
      2.600     2.600     3.400 peak  8660 spectrum    1 weight  0.10000E+01 volume  0.78357E-02 ppm1      3.693 ppm2      1.894 CV     1
 OR { 8660}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
 ASSI { 8667}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 59   and name HB1 ))
      4.500     2.600     1.500 peak  8667 spectrum    1 weight  0.10000E+01 volume  0.10916E-03 ppm1      3.669 ppm2      1.731 CV     1
 OR { 8667}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
 ASSI { 8670}
   (( segid "    " and resid 27   and name HA1 ))
   (  segid "    " and resid 30   and name HB% )
      5.100     3.300     0.900 peak  8670 spectrum    1 weight  0.10000E+01 volume  0.10370E-03 ppm1      3.664 ppm2      1.408 CV     1
 ASSI { 8680}
   (( segid "    " and resid 50   and name HD1 ))
   (( segid "    " and resid 55   and name HB2 ))
      3.200     3.200     2.800 peak  8680 spectrum    1 weight  0.10000E+01 volume  0.15846E-02 ppm1      3.036 ppm2      2.014 CV     1
 OR { 8680}
   (( segid "    " and resid 50   and name HD1 ))
   (( segid "    " and resid 55   and name HB1 ))
 ASSI { 8685}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 21   and name HB1 ))
      3.200     1.300     1.300 peak  8685 spectrum    1 weight  0.10000E+01 volume  0.24015E-02 ppm1      2.831 ppm2      1.839 CV     1
 OR { 8685}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 21   and name HB1 ))
 OR { 8685}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 21   and name HB1 ))
 ASSI { 8688}
   (( segid "    " and resid 113  and name HE1 ))
   (( segid "    " and resid 117  and name HB1 ))
      2.300     2.300     3.700 peak  8688 spectrum    1 weight  0.10000E+01 volume  0.14073E-01 ppm1      2.893 ppm2      1.566 CV     1
 OR { 8688}
   (( segid "    " and resid 113  and name HE1 ))
   (( segid "    " and resid 117  and name HB2 ))
 OR { 8688}
   (( segid "    " and resid 113  and name HE2 ))
   (( segid "    " and resid 117  and name HB2 ))
 ASSI { 8689}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 99   and name HB1 ))
      6.000     5.700     0.000 peak  8689 spectrum    1 weight  0.10000E+01 volume  0.12735E-04 ppm1      2.820 ppm2      1.473 CV     1
 OR { 8689}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 99   and name HB1 ))
 OR { 8689}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 99   and name HB1 ))
 ASSI { 8694}
   (( segid "    " and resid 116  and name HG2 ))
   (  segid "    " and resid 115  and name HE% )
      2.400     0.700     0.700 peak  8694 spectrum    1 weight  0.10000E+01 volume  0.49431E-02 ppm1      2.276 ppm2      1.791 CV     1
 ASSI { 8697}
   (( segid "    " and resid 112  and name HG2 ))
   (( segid "    " and resid 116  and name HB1 ))
      2.300     0.700     0.700 peak  8697 spectrum    1 weight  0.10000E+01 volume  0.46574E-02 ppm1      2.581 ppm2      1.977 CV     1
 OR { 8697}
   (( segid "    " and resid 112  and name HG2 ))
   (( segid "    " and resid 116  and name HB2 ))
 ASSI { 8698}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 98   and name HB1 ))
      5.300     3.600     0.700 peak  8698 spectrum    1 weight  0.10000E+01 volume  0.54579E-04 ppm1      2.805 ppm2      1.367 CV     1
 OR { 8698}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 98   and name HB1 ))
 OR { 8698}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 98   and name HB1 ))
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLN   1           HT3      GLN   1 -11.732  13.454 -11.952
    2    H2   GLN   1           HT2      GLN   1 -12.402  14.889 -11.333
    3    H3   GLN   1           HT1      GLN   1 -11.113  14.957 -12.428
    4    HA   GLN   1           HA       GLN   1 -10.299  15.399 -10.238
    5   1HB   GLN   1           HB2      GLN   1 -10.528  13.838  -8.439
    6   2HB   GLN   1           HB1      GLN   1 -12.136  14.117  -9.088
    7   1HG   GLN   1           HG2      GLN   1 -11.435  11.955 -10.516
    8   2HG   GLN   1           HG1      GLN   1 -10.490  11.685  -9.057
    9   1HE2  GLN   1          1HE2      GLN   1 -11.538  11.345  -7.109
   10   2HE2  GLN   1          2HE2      GLN   1 -13.222  10.962  -7.010
   11    H    LEU   2           HN       LEU   2  -8.380  14.064  -9.215
   12    HA   LEU   2           HA       LEU   2  -7.151  12.574 -11.423
   13   1HB   LEU   2           HB2      LEU   2  -5.782  14.395 -11.300
   14   2HB   LEU   2           HB1      LEU   2  -6.192  14.726  -9.629
   15    HG   LEU   2           HG       LEU   2  -4.755  12.791  -8.987
   16   1HD1  LEU   2          3HD1      LEU   2  -3.871  12.986 -11.868
   17   2HD1  LEU   2          2HD1      LEU   2  -3.053  12.054 -10.614
   18   3HD1  LEU   2          1HD1      LEU   2  -4.686  11.615 -11.117
   19   1HD2  LEU   2          2HD2      LEU   2  -3.441  15.088 -10.435
   20   2HD2  LEU   2          1HD2      LEU   2  -3.989  15.083  -8.759
   21   3HD2  LEU   2          3HD2      LEU   2  -2.654  14.042  -9.253
   22    H    GLN   3           HN       GLN   3  -6.474  10.560 -10.959
   23    HA   GLN   3           HA       GLN   3  -6.275   9.781  -8.132
   24   1HB   GLN   3           HB2      GLN   3  -7.226   7.771 -10.135
   25   2HB   GLN   3           HB1      GLN   3  -7.517   7.836  -8.396
   26   1HG   GLN   3           HG2      GLN   3  -9.028   9.811  -8.875
   27   2HG   GLN   3           HG1      GLN   3  -8.892   9.383 -10.581
   28   1HE2  GLN   3          1HE2      GLN   3  -8.705   6.502  -9.911
   29   2HE2  GLN   3          2HE2      GLN   3 -10.311   6.009  -9.495
   30    H    GLU   4           HN       GLU   4  -4.390   8.766  -7.677
   31    HA   GLU   4           HA       GLU   4  -2.984   7.478  -9.926
   32   1HB   GLU   4           HB2      GLU   4  -1.485   8.234  -7.454
   33   2HB   GLU   4           HB1      GLU   4  -0.925   8.142  -9.120
   34   1HG   GLU   4           HG2      GLU   4  -2.496  10.182  -9.479
   35   2HG   GLU   4           HG1      GLU   4  -2.369  10.340  -7.730
   36    H    LYS   5           HN       LYS   5  -2.911   5.322  -9.764
   37    HA   LYS   5           HA       LYS   5  -3.750   4.215  -7.173
   38   1HB   LYS   5           HB2      LYS   5  -3.913   2.794  -9.819
   39   2HB   LYS   5           HB1      LYS   5  -4.637   2.316  -8.308
   40   1HG   LYS   5           HG2      LYS   5  -6.428   3.131  -9.533
   41   2HG   LYS   5           HG1      LYS   5  -6.010   4.451  -8.442
   42   1HD   LYS   5           HD2      LYS   5  -6.487   5.301 -10.671
   43   2HD   LYS   5           HD1      LYS   5  -4.785   5.555 -10.271
   44   1HE   LYS   5           HE2      LYS   5  -4.145   3.655 -11.614
   45   2HE   LYS   5           HE1      LYS   5  -5.835   3.254 -11.916
   46   1HZ   LYS   5           HZ1      LYS   5  -4.473   5.746 -12.807
   47   2HZ   LYS   5           HZ3      LYS   5  -4.817   4.406 -13.789
   48   3HZ   LYS   5           HZ2      LYS   5  -6.085   5.319 -13.127
   49    H    LEU   6           HN       LEU   6  -2.279   3.313  -6.047
   50    HA   LEU   6           HA       LEU   6   0.131   2.288  -7.372
   51   1HB   LEU   6           HB2      LEU   6  -0.317   2.614  -4.411
   52   2HB   LEU   6           HB1      LEU   6   1.212   2.518  -5.272
   53    HG   LEU   6           HG       LEU   6  -0.743   4.803  -5.560
   54   1HD1  LEU   6          2HD1      LEU   6   0.177   4.673  -3.281
   55   2HD1  LEU   6          1HD1      LEU   6   1.805   4.735  -3.959
   56   3HD1  LEU   6          3HD1      LEU   6   0.710   6.108  -4.161
   57   1HD2  LEU   6          3HD2      LEU   6   0.730   4.449  -7.488
   58   2HD2  LEU   6          2HD2      LEU   6   1.100   5.952  -6.643
   59   3HD2  LEU   6          1HD2      LEU   6   2.135   4.539  -6.425
   60    H    TYR   7           HN       TYR   7  -0.356   0.319  -8.103
   61    HA   TYR   7           HA       TYR   7  -2.202  -1.424  -6.828
   62   1HB   TYR   7           HB2      TYR   7  -0.637  -1.398  -9.304
   63   2HB   TYR   7           HB1      TYR   7  -0.869  -3.009  -8.631
   64    HD1  TYR   7           HD1      TYR   7  -3.095  -3.980  -8.475
   65    HD2  TYR   7           HD2      TYR   7  -2.508  -0.124 -10.176
   66    HE1  TYR   7           HE1      TYR   7  -5.351  -4.073  -9.446
   67    HE2  TYR   7           HE2      TYR   7  -4.764  -0.207 -11.152
   68    HH   TYR   7           HH       TYR   7  -6.422  -2.010 -11.842
   69    H    VAL   8           HN       VAL   8  -1.943  -2.996  -5.414
   70    HA   VAL   8           HA       VAL   8   0.691  -4.296  -5.252
   71    HB   VAL   8           HB       VAL   8  -0.085  -4.977  -2.882
   72   1HG1  VAL   8          2HG1      VAL   8   1.811  -3.524  -3.315
   73   2HG1  VAL   8          1HG1      VAL   8   0.731  -2.133  -3.429
   74   3HG1  VAL   8          3HG1      VAL   8   0.913  -2.986  -1.896
   75   1HG2  VAL   8          1HG2      VAL   8  -1.861  -2.585  -3.371
   76   2HG2  VAL   8          3HG2      VAL   8  -2.355  -4.227  -2.934
   77   3HG2  VAL   8          2HG2      VAL   8  -1.481  -3.228  -1.768
   78    HA   PRO   9           HA       PRO   9  -2.043  -7.374  -6.914
   79   1HB   PRO   9           HB2      PRO   9  -0.185  -9.344  -7.229
   80   2HB   PRO   9           HB1      PRO   9  -0.363  -7.980  -8.344
   81   1HG   PRO   9           HG2      PRO   9   1.592  -8.365  -6.108
   82   2HG   PRO   9           HG1      PRO   9   1.869  -7.721  -7.741
   83   1HD   PRO   9           HD2      PRO   9   1.608  -6.110  -5.584
   84   2HD   PRO   9           HD1      PRO   9   1.042  -5.632  -7.199
   85    H    VAL  10           HN       VAL  10  -3.337  -7.786  -5.158
   86    HA   VAL  10           HA       VAL  10  -2.483  -9.099  -2.808
   87    HB   VAL  10           HB       VAL  10  -4.564  -7.729  -3.108
   88   1HG1  VAL  10          1HG1      VAL  10  -5.462  -8.764  -5.088
   89   2HG1  VAL  10          3HG1      VAL  10  -5.675 -10.283  -4.218
   90   3HG1  VAL  10          2HG1      VAL  10  -6.622  -8.865  -3.763
   91   1HG2  VAL  10          3HG2      VAL  10  -4.792 -10.386  -1.734
   92   2HG2  VAL  10          2HG2      VAL  10  -4.133  -8.897  -1.057
   93   3HG2  VAL  10          1HG2      VAL  10  -5.852  -9.006  -1.442
   94    H    LYS  11           HN       LYS  11  -3.366 -10.233  -5.915
   95    HA   LYS  11           HA       LYS  11  -3.861 -12.961  -5.277
   96   1HB   LYS  11           HB2      LYS  11  -2.736 -11.782  -7.827
   97   2HB   LYS  11           HB1      LYS  11  -3.366 -13.411  -7.649
   98   1HG   LYS  11           HG2      LYS  11  -5.583 -12.430  -7.094
   99   2HG   LYS  11           HG1      LYS  11  -4.911 -10.837  -7.458
  100   1HD   LYS  11           HD2      LYS  11  -4.355 -11.616  -9.728
  101   2HD   LYS  11           HD1      LYS  11  -5.099 -13.174  -9.359
  102   1HE   LYS  11           HE2      LYS  11  -6.703 -11.911 -10.563
  103   2HE   LYS  11           HE1      LYS  11  -7.225 -11.926  -8.878
  104   1HZ   LYS  11           HZ3      LYS  11  -6.230  -9.705  -8.617
  105   2HZ   LYS  11           HZ2      LYS  11  -5.816  -9.705 -10.264
  106   3HZ   LYS  11           HZ1      LYS  11  -7.448  -9.727  -9.804
  107    H    GLU  12           HN       GLU  12  -1.041 -11.015  -5.664
  108    HA   GLU  12           HA       GLU  12   0.842 -13.179  -5.841
  109   1HB   GLU  12           HB2      GLU  12   1.109 -10.210  -5.406
  110   2HB   GLU  12           HB1      GLU  12   2.486 -11.304  -5.435
  111   1HG   GLU  12           HG2      GLU  12   0.546 -10.911  -7.696
  112   2HG   GLU  12           HG1      GLU  12   2.152 -10.189  -7.581
  113    H    TYR  13           HN       TYR  13  -0.568 -11.175  -3.367
  114    HA   TYR  13           HA       TYR  13   1.092 -12.551  -1.360
  115   1HB   TYR  13           HB2      TYR  13  -0.035  -9.757  -1.125
  116   2HB   TYR  13           HB1      TYR  13   1.052 -10.557   0.005
  117    HD1  TYR  13           HD1      TYR  13   3.401 -10.586  -0.363
  118    HD2  TYR  13           HD2      TYR  13   0.796  -9.033  -3.337
  119    HE1  TYR  13           HE1      TYR  13   5.335  -9.678  -1.563
  120    HE2  TYR  13           HE2      TYR  13   2.724  -8.124  -4.557
  121    HH   TYR  13           HH       TYR  13   5.915  -9.020  -3.874
  122    HA   PRO  14           HA       PRO  14  -3.361 -13.494  -0.417
  123   1HB   PRO  14           HB2      PRO  14  -2.941 -16.140   0.074
  124   2HB   PRO  14           HB1      PRO  14  -3.326 -15.507  -1.530
  125   1HG   PRO  14           HG2      PRO  14  -0.677 -16.270  -0.379
  126   2HG   PRO  14           HG1      PRO  14  -1.320 -16.571  -2.003
  127   1HD   PRO  14           HD2      PRO  14   0.443 -14.583  -1.468
  128   2HD   PRO  14           HD1      PRO  14  -0.787 -14.458  -2.740
  129    H    ASP  15           HN       ASP  15  -0.257 -14.116   1.010
  130    HA   ASP  15           HA       ASP  15  -1.402 -14.651   3.638
  131   1HB   ASP  15           HB2      ASP  15   1.471 -14.664   2.689
  132   2HB   ASP  15           HB1      ASP  15   0.943 -15.102   4.309
  133    H    PHE  16           HN       PHE  16  -0.302 -12.020   1.829
  134    HA   PHE  16           HA       PHE  16   0.126 -10.474   4.302
  135   1HB   PHE  16           HB2      PHE  16   2.039 -10.541   2.625
  136   2HB   PHE  16           HB1      PHE  16   0.995  -9.598   1.555
  137    HD1  PHE  16           HD1      PHE  16   2.630  -9.584   4.878
  138    HD2  PHE  16           HD2      PHE  16   0.760  -7.298   1.826
  139    HE1  PHE  16           HE1      PHE  16   3.349  -7.519   5.996
  140    HE2  PHE  16           HE2      PHE  16   1.475  -5.222   2.937
  141    HZ   PHE  16           HZ       PHE  16   2.713  -5.348   5.090
  142    H    ASN  17           HN       ASN  17  -1.680  -9.610   4.864
  143    HA   ASN  17           HA       ASN  17  -3.640  -8.731   2.949
  144   1HB   ASN  17           HB2      ASN  17  -4.654  -7.788   5.196
  145   2HB   ASN  17           HB1      ASN  17  -4.724  -9.505   4.823
  146   1HD2  ASN  17          1HD2      ASN  17  -2.862  -7.071   6.607
  147   2HD2  ASN  17          2HD2      ASN  17  -2.307  -8.155   7.832
  148    H    PHE  18           HN       PHE  18  -2.847  -6.989   1.775
  149    HA   PHE  18           HA       PHE  18  -1.454  -4.829   2.910
  150   1HB   PHE  18           HB2      PHE  18  -3.148  -4.874   0.405
  151   2HB   PHE  18           HB1      PHE  18  -2.032  -3.578   0.861
  152    HD1  PHE  18           HD1      PHE  18   0.451  -4.291   1.257
  153    HD2  PHE  18           HD2      PHE  18  -2.418  -6.598  -0.875
  154    HE1  PHE  18           HE1      PHE  18   2.284  -5.508   0.116
  155    HE2  PHE  18           HE2      PHE  18  -0.619  -7.802  -2.013
  156    HZ   PHE  18           HZ       PHE  18   1.846  -7.206  -1.384
  157    H    VAL  19           HN       VAL  19  -4.887  -5.467   2.613
  158    HA   VAL  19           HA       VAL  19  -5.829  -2.945   3.441
  159    HB   VAL  19           HB       VAL  19  -7.004  -5.718   3.686
  160   1HG1  VAL  19          1HG1      VAL  19  -8.326  -3.090   4.334
  161   2HG1  VAL  19          3HG1      VAL  19  -9.139  -4.652   4.233
  162   3HG1  VAL  19          2HG1      VAL  19  -7.924  -4.369   5.480
  163   1HG2  VAL  19          3HG2      VAL  19  -6.784  -4.845   1.422
  164   2HG2  VAL  19          2HG2      VAL  19  -8.480  -4.950   1.896
  165   3HG2  VAL  19          1HG2      VAL  19  -7.661  -3.387   1.889
  166    H    GLY  20           HN       GLY  20  -5.291  -5.919   5.356
  167   1HA   GLY  20           HA1      GLY  20  -4.833  -6.189   7.593
  168   2HA   GLY  20           HA2      GLY  20  -5.702  -4.684   7.857
  169    H    ARG  21           HN       ARG  21  -3.016  -4.658   5.719
  170    HA   ARG  21           HA       ARG  21  -1.136  -3.818   7.732
  171   1HB   ARG  21           HB2      ARG  21   0.026  -4.963   6.136
  172   2HB   ARG  21           HB1      ARG  21  -1.034  -4.467   4.830
  173   1HG   ARG  21           HG2      ARG  21   0.864  -3.333   4.268
  174   2HG   ARG  21           HG1      ARG  21   0.081  -2.120   5.274
  175   1HD   ARG  21           HD2      ARG  21   2.502  -3.754   5.797
  176   2HD   ARG  21           HD1      ARG  21   2.174  -2.069   6.159
  177    HE   ARG  21           HE       ARG  21   0.699  -2.950   7.993
  178   1HH1  ARG  21          1HH1      ARG  21   3.441  -4.763   6.789
  179   2HH1  ARG  21          2HH1      ARG  21   3.665  -5.643   8.264
  180   1HH2  ARG  21          1HH2      ARG  21   0.981  -4.111   9.931
  181   2HH2  ARG  21          2HH2      ARG  21   2.275  -5.270  10.060
  182    H    ILE  22           HN       ILE  22  -3.004  -2.329   5.131
  183    HA   ILE  22           HA       ILE  22  -1.644   0.203   5.509
  184    HB   ILE  22           HB       ILE  22  -3.763  -0.707   3.568
  185   1HG1  ILE  22          2HG1      ILE  22  -1.629  -1.636   3.039
  186   2HG1  ILE  22          1HG1      ILE  22  -1.908  -0.311   1.914
  187   1HG2  ILE  22          1HG2      ILE  22  -2.443   1.992   3.733
  188   2HG2  ILE  22          3HG2      ILE  22  -3.452   1.427   2.401
  189   3HG2  ILE  22          2HG2      ILE  22  -4.147   1.631   4.009
  190   1HD1  ILE  22          3HD1      ILE  22  -0.526   1.115   3.471
  191   2HD1  ILE  22          2HD1      ILE  22  -0.073  -0.382   4.279
  192   3HD1  ILE  22          1HD1      ILE  22   0.333  -0.144   2.583
  193    H    LEU  23           HN       LEU  23  -5.098  -0.828   5.525
  194    HA   LEU  23           HA       LEU  23  -5.556   1.579   7.102
  195   1HB   LEU  23           HB2      LEU  23  -7.929   1.497   6.470
  196   2HB   LEU  23           HB1      LEU  23  -6.838   1.751   5.135
  197    HG   LEU  23           HG       LEU  23  -8.696   0.366   4.478
  198   1HD1  LEU  23          2HD1      LEU  23  -6.116  -1.161   4.595
  199   2HD1  LEU  23          1HD1      LEU  23  -7.500  -1.588   3.586
  200   3HD1  LEU  23          3HD1      LEU  23  -6.656  -0.061   3.327
  201   1HD2  LEU  23          3HD2      LEU  23  -7.813  -1.560   6.609
  202   2HD2  LEU  23          2HD2      LEU  23  -9.293  -0.602   6.601
  203   3HD2  LEU  23          1HD2      LEU  23  -9.055  -1.864   5.394
  204    H    GLY  24           HN       GLY  24  -5.134  -1.595   7.587
  205   1HA   GLY  24           HA1      GLY  24  -5.481  -2.950   9.412
  206   2HA   GLY  24           HA2      GLY  24  -7.165  -2.478   9.244
  207    HA   PRO  25           HA       PRO  25  -5.559  -0.523  13.160
  208   1HB   PRO  25           HB2      PRO  25  -2.945  -0.416  13.735
  209   2HB   PRO  25           HB1      PRO  25  -3.842  -1.937  13.811
  210   1HG   PRO  25           HG2      PRO  25  -1.964  -0.947  11.722
  211   2HG   PRO  25           HG1      PRO  25  -2.205  -2.594  12.329
  212   1HD   PRO  25           HD2      PRO  25  -3.279  -1.551   9.969
  213   2HD   PRO  25           HD1      PRO  25  -3.828  -3.018  10.798
  214    H    ARG  26           HN       ARG  26  -3.964   0.501  10.290
  215    HA   ARG  26           HA       ARG  26  -3.424   3.149  11.437
  216   1HB   ARG  26           HB2      ARG  26  -2.247   1.903   8.948
  217   2HB   ARG  26           HB1      ARG  26  -1.808   3.463   9.631
  218   1HG   ARG  26           HG2      ARG  26  -1.042   2.297  11.679
  219   2HG   ARG  26           HG1      ARG  26  -1.372   0.760  10.880
  220   1HD   ARG  26           HD2      ARG  26   0.198   1.482   9.062
  221   2HD   ARG  26           HD1      ARG  26   0.634   2.859  10.077
  222    HE   ARG  26           HE       ARG  26   0.904   0.147  11.160
  223   1HH1  ARG  26          1HH1      ARG  26   2.427   3.073   9.966
  224   2HH1  ARG  26          2HH1      ARG  26   3.985   2.676  10.635
  225   1HH2  ARG  26          1HH2      ARG  26   2.919  -0.361  12.061
  226   2HH2  ARG  26          2HH2      ARG  26   4.272   0.710  11.821
  227    H    GLY  27           HN       GLY  27  -5.969   1.935  10.102
  228   1HA   GLY  27           HA1      GLY  27  -7.752   2.930   9.034
  229   2HA   GLY  27           HA2      GLY  27  -6.583   3.265   7.761
  230    H    LEU  28           HN       LEU  28  -6.306   4.579  10.971
  231    HA   LEU  28           HA       LEU  28  -7.550   7.020  10.766
  232   1HB   LEU  28           HB2      LEU  28  -4.925   6.361  12.103
  233   2HB   LEU  28           HB1      LEU  28  -5.829   7.838  12.371
  234    HG   LEU  28           HG       LEU  28  -6.842   5.065  13.013
  235   1HD1  LEU  28          3HD1      LEU  28  -5.753   7.215  14.822
  236   2HD1  LEU  28          2HD1      LEU  28  -6.484   5.697  15.345
  237   3HD1  LEU  28          1HD1      LEU  28  -4.969   5.683  14.442
  238   1HD2  LEU  28          2HD2      LEU  28  -8.604   6.689  12.486
  239   2HD2  LEU  28          1HD2      LEU  28  -8.619   6.230  14.189
  240   3HD2  LEU  28          3HD2      LEU  28  -7.944   7.786  13.699
  241    H    THR  29           HN       THR  29  -4.380   6.054   9.514
  242    HA   THR  29           HA       THR  29  -3.533   8.674   8.883
  243    HB   THR  29           HB       THR  29  -2.077   6.550   9.124
  244    HG1  THR  29           HG1      THR  29  -0.755   8.085   8.556
  245   1HG2  THR  29          1HG2      THR  29  -3.184   5.198   7.393
  246   2HG2  THR  29          3HG2      THR  29  -2.702   6.377   6.176
  247   3HG2  THR  29          2HG2      THR  29  -1.474   5.446   7.035
  248    H    ALA  30           HN       ALA  30  -5.327   6.237   7.068
  249    HA   ALA  30           HA       ALA  30  -5.202   7.508   4.549
  250   1HB   ALA  30           HB1      ALA  30  -5.968   5.191   4.822
  251   2HB   ALA  30           HB2      ALA  30  -7.159   6.170   3.963
  252   3HB   ALA  30           HB3      ALA  30  -7.406   5.770   5.663
  253    H    LYS  31           HN       LYS  31  -7.306   7.826   7.315
  254    HA   LYS  31           HA       LYS  31  -9.133   9.684   6.186
  255   1HB   LYS  31           HB2      LYS  31  -9.040   8.214   8.477
  256   2HB   LYS  31           HB1      LYS  31  -8.615   9.812   9.090
  257   1HG   LYS  31           HG2      LYS  31 -11.097   9.119   7.525
  258   2HG   LYS  31           HG1      LYS  31 -11.012   9.379   9.265
  259   1HD   LYS  31           HD2      LYS  31 -10.495  11.683   8.979
  260   2HD   LYS  31           HD1      LYS  31 -10.216  11.470   7.249
  261   1HE   LYS  31           HE2      LYS  31 -12.355  12.509   7.564
  262   2HE   LYS  31           HE1      LYS  31 -12.599  10.864   6.984
  263   1HZ   LYS  31           HZ2      LYS  31 -12.989  10.207   9.329
  264   2HZ   LYS  31           HZ1      LYS  31 -12.932  11.848   9.764
  265   3HZ   LYS  31           HZ3      LYS  31 -14.142  11.285   8.717
  266    H    GLN  32           HN       GLN  32  -6.126   9.984   8.031
  267    HA   GLN  32           HA       GLN  32  -6.263  12.791   8.399
  268   1HB   GLN  32           HB2      GLN  32  -3.815  11.015   8.317
  269   2HB   GLN  32           HB1      GLN  32  -3.863  12.662   8.933
  270   1HG   GLN  32           HG2      GLN  32  -5.147  10.207  10.089
  271   2HG   GLN  32           HG1      GLN  32  -3.914  11.243  10.809
  272   1HE2  GLN  32          1HE2      GLN  32  -7.280  10.845  10.122
  273   2HE2  GLN  32          2HE2      GLN  32  -7.852  12.160  11.092
  274    H    LEU  33           HN       LEU  33  -4.844  10.756   5.902
  275    HA   LEU  33           HA       LEU  33  -3.534  12.791   4.471
  276   1HB   LEU  33           HB2      LEU  33  -4.486  10.043   3.842
  277   2HB   LEU  33           HB1      LEU  33  -4.056  11.086   2.502
  278    HG   LEU  33           HG       LEU  33  -1.792  11.285   3.284
  279   1HD1  LEU  33          3HD1      LEU  33  -2.691   9.717   5.691
  280   2HD1  LEU  33          2HD1      LEU  33  -1.012  10.099   5.296
  281   3HD1  LEU  33          1HD1      LEU  33  -2.152  11.397   5.662
  282   1HD2  LEU  33          3HD2      LEU  33  -2.349   9.285   1.978
  283   2HD2  LEU  33          2HD2      LEU  33  -1.042   8.976   3.123
  284   3HD2  LEU  33          1HD2      LEU  33  -2.676   8.408   3.473
  285    H    GLU  34           HN       GLU  34  -6.868  11.545   4.156
  286    HA   GLU  34           HA       GLU  34  -7.370  13.225   1.900
  287   1HB   GLU  34           HB2      GLU  34  -9.761  12.682   2.241
  288   2HB   GLU  34           HB1      GLU  34  -8.734  11.261   2.159
  289   1HG   GLU  34           HG2      GLU  34  -8.848  11.024   4.576
  290   2HG   GLU  34           HG1      GLU  34  -9.817  12.494   4.685
  291    H    ALA  35           HN       ALA  35  -7.819  13.524   5.355
  292    HA   ALA  35           HA       ALA  35  -9.312  15.913   5.321
  293   1HB   ALA  35           HB2      ALA  35  -8.721  16.095   7.681
  294   2HB   ALA  35           HB1      ALA  35  -9.208  14.450   7.272
  295   3HB   ALA  35           HB3      ALA  35  -7.500  14.840   7.477
  296    H    GLU  36           HN       GLU  36  -5.835  15.280   5.443
  297    HA   GLU  36           HA       GLU  36  -5.282  18.118   5.765
  298   1HB   GLU  36           HB2      GLU  36  -3.527  15.675   5.850
  299   2HB   GLU  36           HB1      GLU  36  -2.893  17.314   5.951
  300   1HG   GLU  36           HG2      GLU  36  -4.126  17.720   7.973
  301   2HG   GLU  36           HG1      GLU  36  -4.923  16.154   7.843
  302    H    THR  37           HN       THR  37  -4.554  15.543   3.387
  303    HA   THR  37           HA       THR  37  -3.026  17.418   1.808
  304    HB   THR  37           HB       THR  37  -2.502  15.641   0.316
  305    HG1  THR  37           HG1      THR  37  -4.425  13.992   1.625
  306   1HG2  THR  37          2HG2      THR  37  -1.367  15.511   2.481
  307   2HG2  THR  37          1HG2      THR  37  -2.667  14.494   3.105
  308   3HG2  THR  37          3HG2      THR  37  -1.634  13.905   1.803
  309    H    GLY  38           HN       GLY  38  -6.272  16.414   2.037
  310   1HA   GLY  38           HA1      GLY  38  -7.035  17.970  -0.286
  311   2HA   GLY  38           HA2      GLY  38  -8.124  17.174   0.848
  312    H    CYS  39           HN       CYS  39  -6.100  14.834   0.286
  313    HA   CYS  39           HA       CYS  39  -7.439  13.860  -2.142
  314   1HB   CYS  39           HB2      CYS  39  -5.044  14.100  -2.448
  315   2HB   CYS  39           HB1      CYS  39  -4.742  13.153  -0.995
  316    HG   CYS  39           HG       CYS  39  -4.839  12.091  -3.995
  317    H    LYS  40           HN       LYS  40  -8.775  12.156  -1.888
  318    HA   LYS  40           HA       LYS  40  -8.669  10.929   0.748
  319   1HB   LYS  40           HB2      LYS  40 -10.900  10.071   0.324
  320   2HB   LYS  40           HB1      LYS  40 -10.856  11.815   0.142
  321   1HG   LYS  40           HG2      LYS  40 -11.430  11.728  -2.020
  322   2HG   LYS  40           HG1      LYS  40 -10.479  10.271  -2.331
  323   1HD   LYS  40           HD2      LYS  40 -12.182   8.928  -1.186
  324   2HD   LYS  40           HD1      LYS  40 -13.136  10.387  -0.905
  325   1HE   LYS  40           HE2      LYS  40 -12.291   9.575  -3.651
  326   2HE   LYS  40           HE1      LYS  40 -13.735   8.885  -2.903
  327   1HZ   LYS  40           HZ3      LYS  40 -13.274  11.809  -3.210
  328   2HZ   LYS  40           HZ2      LYS  40 -14.159  10.878  -4.317
  329   3HZ   LYS  40           HZ1      LYS  40 -14.701  11.040  -2.720
  330    H    ILE  41           HN       ILE  41  -7.128   9.565   0.620
  331    HA   ILE  41           HA       ILE  41  -6.629   7.936  -1.660
  332    HB   ILE  41           HB       ILE  41  -4.746   8.659  -0.391
  333   1HG1  ILE  41          2HG1      ILE  41  -5.218   5.719   0.157
  334   2HG1  ILE  41          1HG1      ILE  41  -4.505   6.408  -1.300
  335   1HG2  ILE  41          2HG2      ILE  41  -5.862   9.068   1.738
  336   2HG2  ILE  41          1HG2      ILE  41  -5.981   7.330   2.021
  337   3HG2  ILE  41          3HG2      ILE  41  -4.399   8.110   1.970
  338   1HD1  ILE  41          2HD1      ILE  41  -3.333   6.563   1.470
  339   2HD1  ILE  41          1HD1      ILE  41  -2.807   5.483   0.176
  340   3HD1  ILE  41          3HD1      ILE  41  -2.621   7.229  -0.001
  341    H    MET  42           HN       MET  42  -7.935   6.352  -2.136
  342    HA   MET  42           HA       MET  42  -9.266   4.898   0.031
  343   1HB   MET  42           HB2      MET  42 -10.983   4.293  -1.625
  344   2HB   MET  42           HB1      MET  42 -10.834   6.037  -1.468
  345   1HG   MET  42           HG2      MET  42  -9.814   6.264  -3.544
  346   2HG   MET  42           HG1      MET  42  -9.371   4.560  -3.617
  347   1HE   MET  42           HE3      MET  42 -12.865   6.069  -2.574
  348   2HE   MET  42           HE2      MET  42 -12.318   7.156  -3.848
  349   3HE   MET  42           HE1      MET  42 -13.701   6.095  -4.125
  350    H    VAL  43           HN       VAL  43  -8.934   2.771   0.201
  351    HA   VAL  43           HA       VAL  43  -6.953   1.621  -1.557
  352    HB   VAL  43           HB       VAL  43  -8.384  -0.002   0.483
  353   1HG1  VAL  43          3HG1      VAL  43  -6.648  -0.985  -0.916
  354   2HG1  VAL  43          2HG1      VAL  43  -5.501   0.231  -0.348
  355   3HG1  VAL  43          1HG1      VAL  43  -6.155  -0.961   0.778
  356   1HG2  VAL  43          2HG2      VAL  43  -6.450   2.217   1.123
  357   2HG2  VAL  43          1HG2      VAL  43  -8.055   1.948   1.801
  358   3HG2  VAL  43          3HG2      VAL  43  -6.731   0.857   2.209
  359    H    ARG  44           HN       ARG  44  -7.583   0.783  -3.400
  360    HA   ARG  44           HA       ARG  44 -10.372  -0.043  -3.680
  361   1HB   ARG  44           HB2      ARG  44  -8.264   0.600  -5.734
  362   2HB   ARG  44           HB1      ARG  44  -9.850  -0.046  -6.134
  363   1HG   ARG  44           HG2      ARG  44 -10.766   1.983  -4.841
  364   2HG   ARG  44           HG1      ARG  44  -9.138   2.633  -5.016
  365   1HD   ARG  44           HD2      ARG  44  -9.304   2.837  -7.276
  366   2HD   ARG  44           HD1      ARG  44 -10.476   1.527  -7.429
  367    HE   ARG  44           HE       ARG  44 -11.360   3.977  -6.116
  368   1HH1  ARG  44          1HH1      ARG  44 -11.430   1.894  -8.959
  369   2HH1  ARG  44          2HH1      ARG  44 -12.694   2.804  -9.728
  370   1HH2  ARG  44          1HH2      ARG  44 -13.016   5.162  -7.152
  371   2HH2  ARG  44          2HH2      ARG  44 -13.614   4.629  -8.697
  372    H    GLY  45           HN       GLY  45 -10.566  -1.928  -5.379
  373   1HA   GLY  45           HA1      GLY  45  -8.643  -4.004  -4.669
  374   2HA   GLY  45           HA2      GLY  45  -9.944  -4.149  -5.847
  375    H    LYS  46           HN       LYS  46  -9.575  -6.130  -4.031
  376    HA   LYS  46           HA       LYS  46 -12.149  -6.077  -2.770
  377   1HB   LYS  46           HB2      LYS  46 -11.702  -8.453  -2.258
  378   2HB   LYS  46           HB1      LYS  46 -11.535  -8.063  -3.962
  379   1HG   LYS  46           HG2      LYS  46  -8.979  -7.763  -3.139
  380   2HG   LYS  46           HG1      LYS  46  -9.543  -9.016  -2.034
  381   1HD   LYS  46           HD2      LYS  46  -8.604 -10.035  -4.014
  382   2HD   LYS  46           HD1      LYS  46 -10.344 -10.321  -3.960
  383   1HE   LYS  46           HE2      LYS  46  -9.352  -7.929  -5.420
  384   2HE   LYS  46           HE1      LYS  46  -9.127  -9.510  -6.173
  385   1HZ   LYS  46           HZ3      LYS  46 -11.617  -9.806  -5.710
  386   2HZ   LYS  46           HZ2      LYS  46 -11.647  -8.126  -5.487
  387   3HZ   LYS  46           HZ1      LYS  46 -11.161  -8.768  -6.975
  388    H    GLY  47           HN       GLY  47 -12.416  -5.166  -0.816
  389   1HA   GLY  47           HA1      GLY  47 -10.385  -5.871   1.222
  390   2HA   GLY  47           HA2      GLY  47 -12.109  -5.918   1.556
  391    H    SER  48           HN       SER  48 -12.184  -3.345  -0.194
  392    HA   SER  48           HA       SER  48 -10.817  -1.343   1.246
  393   1HB   SER  48           HB2      SER  48 -11.642  -1.036  -1.035
  394   2HB   SER  48           HB1      SER  48 -13.303  -1.192  -0.474
  395    HG   SER  48           HG       SER  48 -11.485   0.845   0.328
  396    H    MET  49           HN       MET  49 -14.285  -2.104   1.204
  397    HA   MET  49           HA       MET  49 -14.516  -1.162   3.962
  398   1HB   MET  49           HB2      MET  49 -16.419  -0.687   1.663
  399   2HB   MET  49           HB1      MET  49 -16.832  -0.399   3.346
  400   1HG   MET  49           HG2      MET  49 -15.034   1.251   3.505
  401   2HG   MET  49           HG1      MET  49 -14.632   0.968   1.812
  402   1HE   MET  49           HE3      MET  49 -15.158   3.837   2.948
  403   2HE   MET  49           HE2      MET  49 -14.856   3.554   1.234
  404   3HE   MET  49           HE1      MET  49 -16.231   4.538   1.735
  405    H    ARG  50           HN       ARG  50 -13.940  -3.695   3.176
  406    HA   ARG  50           HA       ARG  50 -15.955  -5.494   2.526
  407   1HB   ARG  50           HB2      ARG  50 -13.425  -5.766   2.484
  408   2HB   ARG  50           HB1      ARG  50 -13.524  -6.114   4.201
  409   1HG   ARG  50           HG2      ARG  50 -13.406  -8.183   3.080
  410   2HG   ARG  50           HG1      ARG  50 -15.076  -8.003   3.620
  411   1HD   ARG  50           HD2      ARG  50 -15.807  -8.198   1.534
  412   2HD   ARG  50           HD1      ARG  50 -14.790  -6.854   1.022
  413    HE   ARG  50           HE       ARG  50 -13.004  -8.813   1.068
  414   1HH1  ARG  50          1HH1      ARG  50 -16.273  -8.806  -0.185
  415   2HH1  ARG  50          2HH1      ARG  50 -15.927  -9.955  -1.441
  416   1HH2  ARG  50          1HH2      ARG  50 -12.556 -10.353  -0.584
  417   2HH2  ARG  50          2HH2      ARG  50 -13.839 -10.833  -1.660
  418    H    ASP  51           HN       ASP  51 -16.630  -3.739   4.907
  419    HA   ASP  51           HA       ASP  51 -16.927  -5.395   7.196
  420   1HB   ASP  51           HB2      ASP  51 -18.178  -2.824   6.261
  421   2HB   ASP  51           HB1      ASP  51 -18.727  -3.614   7.739
  422    H    LYS  52           HN       LYS  52 -18.649  -6.654   7.824
  423    HA   LYS  52           HA       LYS  52 -20.209  -7.828   5.795
  424   1HB   LYS  52           HB2      LYS  52 -20.558  -7.953   8.794
  425   2HB   LYS  52           HB1      LYS  52 -21.396  -8.982   7.643
  426   1HG   LYS  52           HG2      LYS  52 -18.439  -8.905   8.198
  427   2HG   LYS  52           HG1      LYS  52 -19.568 -10.207   8.575
  428   1HD   LYS  52           HD2      LYS  52 -19.987 -10.471   6.137
  429   2HD   LYS  52           HD1      LYS  52 -18.734  -9.268   5.830
  430   1HE   LYS  52           HE2      LYS  52 -17.709 -11.388   5.571
  431   2HE   LYS  52           HE1      LYS  52 -17.156 -10.748   7.117
  432   1HZ   LYS  52           HZ2      LYS  52 -18.980 -12.096   8.153
  433   2HZ   LYS  52           HZ1      LYS  52 -19.204 -12.842   6.652
  434   3HZ   LYS  52           HZ3      LYS  52 -17.720 -13.001   7.465
  435    H    LYS  53           HN       LYS  53 -20.939  -5.388   8.236
  436    HA   LYS  53           HA       LYS  53 -23.683  -5.150   7.667
  437   1HB   LYS  53           HB2      LYS  53 -23.575  -2.979   8.760
  438   2HB   LYS  53           HB1      LYS  53 -22.635  -4.156   9.666
  439   1HG   LYS  53           HG2      LYS  53 -20.581  -3.251   8.615
  440   2HG   LYS  53           HG1      LYS  53 -21.567  -2.022   7.824
  441   1HD   LYS  53           HD2      LYS  53 -21.262  -2.408  10.803
  442   2HD   LYS  53           HD1      LYS  53 -20.510  -1.136   9.839
  443   1HE   LYS  53           HE2      LYS  53 -22.766  -0.324   9.228
  444   2HE   LYS  53           HE1      LYS  53 -23.470  -1.549  10.281
  445   1HZ   LYS  53           HZ1      LYS  53 -21.940  -0.447  12.050
  446   2HZ   LYS  53           HZ3      LYS  53 -21.980   0.886  10.998
  447   3HZ   LYS  53           HZ2      LYS  53 -23.420   0.275  11.646
  448    H    LYS  54           HN       LYS  54 -20.835  -3.866   6.122
  449    HA   LYS  54           HA       LYS  54 -22.206  -1.922   4.566
  450   1HB   LYS  54           HB2      LYS  54 -19.441  -2.973   4.713
  451   2HB   LYS  54           HB1      LYS  54 -19.912  -2.204   3.204
  452   1HG   LYS  54           HG2      LYS  54 -20.459  -0.175   4.335
  453   2HG   LYS  54           HG1      LYS  54 -20.243  -0.931   5.911
  454   1HD   LYS  54           HD2      LYS  54 -17.863  -1.342   5.308
  455   2HD   LYS  54           HD1      LYS  54 -18.126  -0.439   3.819
  456   1HE   LYS  54           HE2      LYS  54 -17.204   1.158   5.202
  457   2HE   LYS  54           HE1      LYS  54 -18.931   1.448   5.399
  458   1HZ   LYS  54           HZ1      LYS  54 -17.328  -0.235   7.248
  459   2HZ   LYS  54           HZ3      LYS  54 -17.622   1.417   7.497
  460   3HZ   LYS  54           HZ2      LYS  54 -18.917   0.327   7.477
  461    H    GLU  55           HN       GLU  55 -21.094  -5.240   3.912
  462    HA   GLU  55           HA       GLU  55 -21.928  -5.158   1.196
  463   1HB   GLU  55           HB2      GLU  55 -21.764  -7.620   1.246
  464   2HB   GLU  55           HB1      GLU  55 -20.336  -6.843   1.912
  465   1HG   GLU  55           HG2      GLU  55 -20.738  -7.581   4.018
  466   2HG   GLU  55           HG1      GLU  55 -22.489  -7.638   3.791
  467    H    GLU  56           HN       GLU  56 -23.615  -5.517   4.151
  468    HA   GLU  56           HA       GLU  56 -25.943  -6.729   2.967
  469   1HB   GLU  56           HB2      GLU  56 -25.571  -5.378   5.645
  470   2HB   GLU  56           HB1      GLU  56 -27.028  -6.227   5.144
  471   1HG   GLU  56           HG2      GLU  56 -25.725  -8.295   4.923
  472   2HG   GLU  56           HG1      GLU  56 -24.291  -7.432   5.474
  473    H    GLN  57           HN       GLN  57 -25.234  -3.460   4.259
  474    HA   GLN  57           HA       GLN  57 -27.670  -2.551   2.872
  475   1HB   GLN  57           HB2      GLN  57 -27.850  -0.762   4.460
  476   2HB   GLN  57           HB1      GLN  57 -27.657  -2.274   5.333
  477   1HG   GLN  57           HG2      GLN  57 -25.078  -1.414   5.091
  478   2HG   GLN  57           HG1      GLN  57 -25.965   0.097   5.278
  479   1HE2  GLN  57          1HE2      GLN  57 -25.043  -2.881   6.720
  480   2HE2  GLN  57          2HE2      GLN  57 -25.552  -2.506   8.340
  481    H    ASN  58           HN       ASN  58 -24.266  -1.761   3.372
  482    HA   ASN  58           HA       ASN  58 -24.437   0.594   1.704
  483   1HB   ASN  58           HB2      ASN  58 -22.907   0.228   3.783
  484   2HB   ASN  58           HB1      ASN  58 -21.865  -0.631   2.656
  485   1HD2  ASN  58          1HD2      ASN  58 -21.369   1.812   4.159
  486   2HD2  ASN  58          2HD2      ASN  58 -20.984   3.025   2.985
  487    H    ARG  59           HN       ARG  59 -24.659  -2.448   1.004
  488    HA   ARG  59           HA       ARG  59 -22.698  -3.189  -0.783
  489   1HB   ARG  59           HB2      ARG  59 -24.425  -4.692  -1.789
  490   2HB   ARG  59           HB1      ARG  59 -24.285  -4.817  -0.041
  491   1HG   ARG  59           HG2      ARG  59 -26.311  -3.701   0.314
  492   2HG   ARG  59           HG1      ARG  59 -26.354  -3.076  -1.335
  493   1HD   ARG  59           HD2      ARG  59 -27.935  -4.964  -0.865
  494   2HD   ARG  59           HD1      ARG  59 -26.847  -5.220  -2.226
  495    HE   ARG  59           HE       ARG  59 -25.711  -6.317   0.113
  496   1HH1  ARG  59          1HH1      ARG  59 -28.307  -6.890  -2.178
  497   2HH1  ARG  59          2HH1      ARG  59 -28.310  -8.615  -1.933
  498   1HH2  ARG  59          1HH2      ARG  59 -25.698  -8.604   0.411
  499   2HH2  ARG  59          2HH2      ARG  59 -26.834  -9.577  -0.473
  500    H    GLY  60           HN       GLY  60 -22.664  -3.289  -3.035
  501   1HA   GLY  60           HA1      GLY  60 -24.501  -1.761  -4.641
  502   2HA   GLY  60           HA2      GLY  60 -23.065  -2.605  -5.207
  503    H    LYS  61           HN       LYS  61 -22.216  -0.648  -2.644
  504    HA   LYS  61           HA       LYS  61 -21.942   1.754  -4.247
  505   1HB   LYS  61           HB2      LYS  61 -21.306   1.261  -1.343
  506   2HB   LYS  61           HB1      LYS  61 -21.175   2.818  -2.151
  507   1HG   LYS  61           HG2      LYS  61 -23.664   1.233  -1.577
  508   2HG   LYS  61           HG1      LYS  61 -23.230   2.839  -0.991
  509   1HD   LYS  61           HD2      LYS  61 -23.781   2.136  -3.876
  510   2HD   LYS  61           HD1      LYS  61 -24.937   2.897  -2.781
  511   1HE   LYS  61           HE2      LYS  61 -23.635   4.867  -2.632
  512   2HE   LYS  61           HE1      LYS  61 -22.242   4.089  -3.383
  513   1HZ   LYS  61           HZ2      LYS  61 -24.827   4.680  -4.734
  514   2HZ   LYS  61           HZ1      LYS  61 -23.380   5.545  -4.934
  515   3HZ   LYS  61           HZ3      LYS  61 -23.482   3.934  -5.445
  516    HA   PRO  62           HA       PRO  62 -17.706   2.241  -5.488
  517   1HB   PRO  62           HB2      PRO  62 -17.262   3.574  -2.843
  518   2HB   PRO  62           HB1      PRO  62 -16.711   4.045  -4.452
  519   1HG   PRO  62           HG2      PRO  62 -18.953   5.063  -3.208
  520   2HG   PRO  62           HG1      PRO  62 -18.676   5.075  -4.956
  521   1HD   PRO  62           HD2      PRO  62 -20.687   3.649  -3.510
  522   2HD   PRO  62           HD1      PRO  62 -20.360   3.596  -5.254
  523    H    ASN  63           HN       ASN  63 -18.168   1.063  -2.189
  524    HA   ASN  63           HA       ASN  63 -15.499   0.125  -1.842
  525   1HB   ASN  63           HB2      ASN  63 -16.850  -1.459  -0.137
  526   2HB   ASN  63           HB1      ASN  63 -16.369   0.191   0.233
  527   1HD2  ASN  63          1HD2      ASN  63 -18.292   1.686  -0.963
  528   2HD2  ASN  63          2HD2      ASN  63 -19.844   1.314  -0.300
  529    H    TRP  64           HN       TRP  64 -18.489  -1.338  -2.924
  530    HA   TRP  64           HA       TRP  64 -17.098  -3.799  -3.519
  531   1HB   TRP  64           HB2      TRP  64 -19.940  -3.225  -4.262
  532   2HB   TRP  64           HB1      TRP  64 -19.190  -4.779  -3.884
  533    HD1  TRP  64           HD1      TRP  64 -21.266  -2.203  -2.326
  534    HE1  TRP  64           HE1      TRP  64 -21.305  -2.434   0.224
  535    HE3  TRP  64           HE3      TRP  64 -17.420  -5.503  -1.787
  536    HZ2  TRP  64           HZ2      TRP  64 -19.877  -3.862   2.221
  537    HZ3  TRP  64           HZ3      TRP  64 -16.812  -6.254   0.473
  538    HH2  TRP  64           HH2      TRP  64 -18.015  -5.449   2.436
  539    H    GLU  65           HN       GLU  65 -18.240  -0.924  -4.979
  540    HA   GLU  65           HA       GLU  65 -18.280  -1.567  -7.660
  541   1HB   GLU  65           HB2      GLU  65 -18.945   0.605  -7.143
  542   2HB   GLU  65           HB1      GLU  65 -17.507   0.913  -6.178
  543   1HG   GLU  65           HG2      GLU  65 -16.145   1.004  -8.161
  544   2HG   GLU  65           HG1      GLU  65 -17.529   0.585  -9.164
  545    H    HIS  66           HN       HIS  66 -15.506  -0.577  -5.690
  546    HA   HIS  66           HA       HIS  66 -13.759  -1.444  -7.859
  547   1HB   HIS  66           HB2      HIS  66 -11.900  -0.438  -6.543
  548   2HB   HIS  66           HB1      HIS  66 -13.138   0.708  -7.038
  549    HD1  HIS  66           HD1      HIS  66 -13.299   2.412  -5.270
  550    HD2  HIS  66           HD2      HIS  66 -12.848  -1.402  -3.699
  551    HE1  HIS  66           HE1      HIS  66 -13.309   2.716  -2.778
  552    HE2  HIS  66           HE2      HIS  66 -12.809   0.431  -1.855
  553    H    LEU  67           HN       LEU  67 -15.242  -2.893  -5.371
  554    HA   LEU  67           HA       LEU  67 -13.240  -4.446  -4.137
  555   1HB   LEU  67           HB2      LEU  67 -15.576  -4.318  -3.338
  556   2HB   LEU  67           HB1      LEU  67 -16.096  -5.206  -4.758
  557    HG   LEU  67           HG       LEU  67 -14.417  -7.019  -3.862
  558   1HD1  LEU  67          1HD1      LEU  67 -15.120  -5.494  -1.364
  559   2HD1  LEU  67          3HD1      LEU  67 -14.361  -7.085  -1.420
  560   3HD1  LEU  67          2HD1      LEU  67 -13.511  -5.680  -2.064
  561   1HD2  LEU  67          3HD2      LEU  67 -17.134  -6.511  -2.657
  562   2HD2  LEU  67          2HD2      LEU  67 -16.793  -7.373  -4.159
  563   3HD2  LEU  67          1HD2      LEU  67 -16.265  -8.048  -2.616
  564    H    ASN  68           HN       ASN  68 -14.641  -4.491  -7.232
  565    HA   ASN  68           HA       ASN  68 -13.892  -7.251  -7.774
  566   1HB   ASN  68           HB2      ASN  68 -14.789  -6.503 -10.152
  567   2HB   ASN  68           HB1      ASN  68 -15.890  -6.912  -8.837
  568   1HD2  ASN  68          1HD2      ASN  68 -17.061  -5.307  -7.840
  569   2HD2  ASN  68          2HD2      ASN  68 -17.197  -3.699  -8.450
  570    H    GLU  69           HN       GLU  69 -12.373  -4.311  -7.816
  571    HA   GLU  69           HA       GLU  69 -10.499  -4.948  -9.939
  572   1HB   GLU  69           HB2      GLU  69 -10.244  -2.887  -7.733
  573   2HB   GLU  69           HB1      GLU  69  -9.294  -2.966  -9.207
  574   1HG   GLU  69           HG2      GLU  69 -11.212  -2.375 -10.535
  575   2HG   GLU  69           HG1      GLU  69 -12.257  -2.442  -9.114
  576    H    ASP  70           HN       ASP  70  -8.078  -4.980  -9.225
  577    HA   ASP  70           HA       ASP  70  -7.816  -6.804  -6.976
  578   1HB   ASP  70           HB2      ASP  70  -6.530  -7.065  -9.195
  579   2HB   ASP  70           HB1      ASP  70  -5.509  -5.754  -8.604
  580    H    LEU  71           HN       LEU  71  -6.618  -6.364  -5.132
  581    HA   LEU  71           HA       LEU  71  -7.182  -3.932  -3.939
  582   1HB   LEU  71           HB2      LEU  71  -6.743  -5.977  -2.696
  583   2HB   LEU  71           HB1      LEU  71  -5.078  -5.963  -3.232
  584    HG   LEU  71           HG       LEU  71  -4.589  -4.015  -1.911
  585   1HD1  LEU  71          3HD1      LEU  71  -7.518  -4.048  -1.203
  586   2HD1  LEU  71          2HD1      LEU  71  -6.297  -3.035  -0.431
  587   3HD1  LEU  71          1HD1      LEU  71  -6.670  -2.816  -2.142
  588   1HD2  LEU  71          3HD2      LEU  71  -4.461  -6.184  -0.809
  589   2HD2  LEU  71          2HD2      LEU  71  -4.968  -4.930   0.323
  590   3HD2  LEU  71          1HD2      LEU  71  -6.156  -6.054  -0.338
  591    H    HIS  72           HN       HIS  72  -6.368  -1.992  -4.310
  592    HA   HIS  72           HA       HIS  72  -3.488  -1.667  -4.365
  593   1HB   HIS  72           HB2      HIS  72  -3.492  -0.236  -6.341
  594   2HB   HIS  72           HB1      HIS  72  -4.026  -1.864  -6.729
  595    HD1  HIS  72           HD1      HIS  72  -6.471  -2.188  -7.465
  596    HD2  HIS  72           HD2      HIS  72  -5.430   1.764  -6.687
  597    HE1  HIS  72           HE1      HIS  72  -8.276  -0.791  -8.519
  598    HE2  HIS  72           HE2      HIS  72  -7.544   1.591  -8.178
  599    H    VAL  73           HN       VAL  73  -2.849   0.628  -4.066
  600    HA   VAL  73           HA       VAL  73  -4.913   1.925  -2.407
  601    HB   VAL  73           HB       VAL  73  -3.018   3.180  -1.342
  602   1HG1  VAL  73          3HG1      VAL  73  -4.050   1.267  -0.247
  603   2HG1  VAL  73          2HG1      VAL  73  -2.960   0.173  -1.100
  604   3HG1  VAL  73          1HG1      VAL  73  -2.318   1.310   0.087
  605   1HG2  VAL  73          3HG2      VAL  73  -1.334   1.165  -2.825
  606   2HG2  VAL  73          2HG2      VAL  73  -1.325   2.915  -3.053
  607   3HG2  VAL  73          1HG2      VAL  73  -0.757   2.220  -1.534
  608    H    LEU  74           HN       LEU  74  -5.738   3.751  -3.091
  609    HA   LEU  74           HA       LEU  74  -4.351   5.105  -5.301
  610   1HB   LEU  74           HB2      LEU  74  -6.032   4.113  -6.472
  611   2HB   LEU  74           HB1      LEU  74  -7.103   4.028  -5.090
  612    HG   LEU  74           HG       LEU  74  -7.643   6.394  -5.364
  613   1HD1  LEU  74          3HD1      LEU  74  -5.544   7.155  -6.266
  614   2HD1  LEU  74          2HD1      LEU  74  -5.904   6.326  -7.785
  615   3HD1  LEU  74          1HD1      LEU  74  -6.921   7.667  -7.242
  616   1HD2  LEU  74          1HD2      LEU  74  -7.949   4.766  -7.864
  617   2HD2  LEU  74          3HD2      LEU  74  -9.037   4.775  -6.475
  618   3HD2  LEU  74          2HD2      LEU  74  -8.873   6.216  -7.478
  619    H    ILE  75           HN       ILE  75  -3.787   7.031  -4.783
  620    HA   ILE  75           HA       ILE  75  -5.249   8.583  -2.838
  621    HB   ILE  75           HB       ILE  75  -3.605  10.411  -3.819
  622   1HG1  ILE  75          2HG1      ILE  75  -2.090   7.892  -4.476
  623   2HG1  ILE  75          1HG1      ILE  75  -2.911   8.871  -5.687
  624   1HG2  ILE  75          2HG2      ILE  75  -3.599   9.507  -1.539
  625   2HG2  ILE  75          1HG2      ILE  75  -2.568   8.188  -2.092
  626   3HG2  ILE  75          3HG2      ILE  75  -1.981   9.854  -2.150
  627   1HD1  ILE  75          3HD1      ILE  75  -1.503  10.779  -5.078
  628   2HD1  ILE  75          2HD1      ILE  75  -0.657   9.765  -3.908
  629   3HD1  ILE  75          1HD1      ILE  75  -0.561   9.394  -5.631
  630    H    THR  76           HN       THR  76  -7.109   9.368  -3.410
  631    HA   THR  76           HA       THR  76  -7.556  10.231  -6.182
  632    HB   THR  76           HB       THR  76  -9.854  10.241  -4.364
  633    HG1  THR  76           HG1      THR  76  -9.004   8.421  -3.439
  634   1HG2  THR  76          3HG2      THR  76  -9.259   8.895  -6.986
  635   2HG2  THR  76          2HG2      THR  76 -10.844   8.963  -6.216
  636   3HG2  THR  76          1HG2      THR  76 -10.064  10.448  -6.765
  637    H    VAL  77           HN       VAL  77  -7.078  12.359  -6.398
  638    HA   VAL  77           HA       VAL  77  -7.892  14.142  -4.211
  639    HB   VAL  77           HB       VAL  77  -5.480  14.105  -4.396
  640   1HG1  VAL  77          2HG1      VAL  77  -5.870  14.822  -7.292
  641   2HG1  VAL  77          1HG1      VAL  77  -4.323  14.810  -6.442
  642   3HG1  VAL  77          3HG1      VAL  77  -5.223  13.309  -6.657
  643   1HG2  VAL  77          2HG2      VAL  77  -6.523  16.241  -3.878
  644   2HG2  VAL  77          1HG2      VAL  77  -5.027  16.460  -4.789
  645   3HG2  VAL  77          3HG2      VAL  77  -6.586  16.633  -5.597
  646    H    GLU  78           HN       GLU  78  -9.552  15.341  -4.703
  647    HA   GLU  78           HA       GLU  78 -10.253  15.655  -7.513
  648   1HB   GLU  78           HB2      GLU  78 -11.857  16.274  -5.025
  649   2HB   GLU  78           HB1      GLU  78 -12.460  16.308  -6.679
  650   1HG   GLU  78           HG2      GLU  78 -12.091  13.930  -6.904
  651   2HG   GLU  78           HG1      GLU  78 -11.370  13.865  -5.299
  652    H    ASP  79           HN       ASP  79  -8.828  17.177  -8.134
  653    HA   ASP  79           HA       ASP  79  -9.537  19.837  -8.112
  654   1HB   ASP  79           HB2      ASP  79  -8.640  19.453  -5.626
  655   2HB   ASP  79           HB1      ASP  79  -7.077  19.644  -6.416
  656    H    ALA  80           HN       ALA  80  -7.733  21.195  -9.073
  657    HA   ALA  80           HA       ALA  80  -6.186  19.471 -10.875
  658   1HB   ALA  80           HB2      ALA  80  -7.709  21.091 -11.902
  659   2HB   ALA  80           HB1      ALA  80  -6.825  22.404 -11.125
  660   3HB   ALA  80           HB3      ALA  80  -6.028  21.402 -12.338
  661    H    GLN  81           HN       GLN  81  -5.678  21.064  -8.049
  662    HA   GLN  81           HA       GLN  81  -3.328  22.558  -8.580
  663   1HB   GLN  81           HB2      GLN  81  -4.322  21.415  -5.966
  664   2HB   GLN  81           HB1      GLN  81  -3.041  22.606  -6.133
  665   1HG   GLN  81           HG2      GLN  81  -4.682  24.142  -7.182
  666   2HG   GLN  81           HG1      GLN  81  -5.942  22.957  -6.840
  667   1HE2  GLN  81          1HE2      GLN  81  -3.775  25.302  -5.509
  668   2HE2  GLN  81          2HE2      GLN  81  -4.488  25.365  -3.930
  669    H    ASN  82           HN       ASN  82  -1.373  21.883  -9.032
  670    HA   ASN  82           HA       ASN  82  -0.495  19.196  -8.752
  671   1HB   ASN  82           HB2      ASN  82   1.057  21.746  -9.247
  672   2HB   ASN  82           HB1      ASN  82   1.772  20.139  -9.287
  673   1HD2  ASN  82          1HD2      ASN  82  -0.520  18.869 -10.511
  674   2HD2  ASN  82          2HD2      ASN  82  -0.548  19.401 -12.164
  675    H    ARG  83           HN       ARG  83  -0.196  22.077  -6.754
  676    HA   ARG  83           HA       ARG  83   1.623  21.079  -4.863
  677   1HB   ARG  83           HB2      ARG  83   0.538  22.694  -3.275
  678   2HB   ARG  83           HB1      ARG  83   1.077  23.406  -4.789
  679   1HG   ARG  83           HG2      ARG  83  -1.218  23.326  -5.633
  680   2HG   ARG  83           HG1      ARG  83  -1.751  22.633  -4.100
  681   1HD   ARG  83           HD2      ARG  83  -0.316  25.266  -4.275
  682   2HD   ARG  83           HD1      ARG  83  -2.068  25.135  -4.404
  683    HE   ARG  83           HE       ARG  83  -1.399  23.794  -2.096
  684   1HH1  ARG  83          1HH1      ARG  83  -1.023  27.044  -3.355
  685   2HH1  ARG  83          2HH1      ARG  83  -1.125  27.797  -1.792
  686   1HH2  ARG  83          1HH2      ARG  83  -1.526  24.788  -0.027
  687   2HH2  ARG  83          2HH2      ARG  83  -1.413  26.523   0.090
  688    H    ALA  84           HN       ALA  84  -1.846  20.627  -5.235
  689    HA   ALA  84           HA       ALA  84  -2.372  19.295  -2.832
  690   1HB   ALA  84           HB3      ALA  84  -3.652  18.786  -5.525
  691   2HB   ALA  84           HB2      ALA  84  -4.299  18.304  -3.958
  692   3HB   ALA  84           HB1      ALA  84  -4.163  20.016  -4.365
  693    H    GLU  85           HN       GLU  85  -1.688  17.896  -6.047
  694    HA   GLU  85           HA       GLU  85  -1.681  15.249  -5.152
  695   1HB   GLU  85           HB2      GLU  85  -0.674  14.653  -7.273
  696   2HB   GLU  85           HB1      GLU  85  -1.911  15.874  -7.521
  697   1HG   GLU  85           HG2      GLU  85  -0.211  17.586  -7.731
  698   2HG   GLU  85           HG1      GLU  85   1.049  16.395  -7.423
  699    H    LEU  86           HN       LEU  86   0.904  17.614  -5.236
  700    HA   LEU  86           HA       LEU  86   3.067  15.897  -4.726
  701   1HB   LEU  86           HB2      LEU  86   3.015  18.402  -5.349
  702   2HB   LEU  86           HB1      LEU  86   2.813  18.693  -3.637
  703    HG   LEU  86           HG       LEU  86   5.148  18.966  -4.498
  704   1HD1  LEU  86          2HD1      LEU  86   4.736  18.610  -2.129
  705   2HD1  LEU  86          1HD1      LEU  86   4.770  16.862  -2.376
  706   3HD1  LEU  86          3HD1      LEU  86   6.229  17.818  -2.640
  707   1HD2  LEU  86          3HD2      LEU  86   5.110  17.088  -6.084
  708   2HD2  LEU  86          2HD2      LEU  86   6.480  17.007  -4.975
  709   3HD2  LEU  86          1HD2      LEU  86   5.082  15.963  -4.727
  710    H    LYS  87           HN       LYS  87   0.682  17.384  -2.610
  711    HA   LYS  87           HA       LYS  87   2.032  16.751  -0.171
  712   1HB   LYS  87           HB2      LYS  87   0.305  18.574  -0.584
  713   2HB   LYS  87           HB1      LYS  87  -0.911  17.311  -0.517
  714   1HG   LYS  87           HG2      LYS  87  -0.449  16.859   1.761
  715   2HG   LYS  87           HG1      LYS  87   1.015  17.850   1.728
  716   1HD   LYS  87           HD2      LYS  87  -0.340  19.844   1.322
  717   2HD   LYS  87           HD1      LYS  87  -1.803  18.858   1.327
  718   1HE   LYS  87           HE2      LYS  87  -1.422  18.266   3.650
  719   2HE   LYS  87           HE1      LYS  87   0.089  19.177   3.654
  720   1HZ   LYS  87           HZ3      LYS  87  -2.493  20.456   2.999
  721   2HZ   LYS  87           HZ2      LYS  87  -1.962  20.311   4.601
  722   3HZ   LYS  87           HZ1      LYS  87  -1.046  21.196   3.477
  723    H    LEU  88           HN       LEU  88  -0.661  15.258  -1.946
  724    HA   LEU  88           HA       LEU  88  -1.011  13.139  -0.068
  725   1HB   LEU  88           HB2      LEU  88  -2.218  12.049  -2.084
  726   2HB   LEU  88           HB1      LEU  88  -2.904  13.447  -1.277
  727    HG   LEU  88           HG       LEU  88  -1.195  14.242  -3.479
  728   1HD1  LEU  88          1HD1      LEU  88  -3.577  12.506  -4.080
  729   2HD1  LEU  88          3HD1      LEU  88  -2.688  13.479  -5.254
  730   3HD1  LEU  88          2HD1      LEU  88  -1.891  12.129  -4.444
  731   1HD2  LEU  88          1HD2      LEU  88  -4.108  14.646  -2.828
  732   2HD2  LEU  88          3HD2      LEU  88  -2.776  15.706  -2.366
  733   3HD2  LEU  88          2HD2      LEU  88  -3.204  15.516  -4.066
  734    H    LYS  89           HN       LYS  89   0.968  13.498  -2.969
  735    HA   LYS  89           HA       LYS  89   1.554  10.742  -3.202
  736   1HB   LYS  89           HB2      LYS  89   3.360  11.337  -4.705
  737   2HB   LYS  89           HB1      LYS  89   1.926  12.271  -5.082
  738   1HG   LYS  89           HG2      LYS  89   3.601  13.827  -5.292
  739   2HG   LYS  89           HG1      LYS  89   3.041  14.110  -3.646
  740   1HD   LYS  89           HD2      LYS  89   5.424  14.138  -3.621
  741   2HD   LYS  89           HD1      LYS  89   4.902  12.645  -2.843
  742   1HE   LYS  89           HE2      LYS  89   5.301  11.443  -4.961
  743   2HE   LYS  89           HE1      LYS  89   5.899  12.939  -5.675
  744   1HZ   LYS  89           HZ1      LYS  89   7.481  12.877  -3.618
  745   2HZ   LYS  89           HZ3      LYS  89   7.147  11.215  -3.644
  746   3HZ   LYS  89           HZ2      LYS  89   7.839  11.973  -4.997
  747    H    ARG  90           HN       ARG  90   3.119  13.317  -1.337
  748    HA   ARG  90           HA       ARG  90   5.313  11.680  -0.568
  749   1HB   ARG  90           HB2      ARG  90   5.774  13.321   1.184
  750   2HB   ARG  90           HB1      ARG  90   5.462  14.114  -0.352
  751   1HG   ARG  90           HG2      ARG  90   3.315  14.814   0.346
  752   2HG   ARG  90           HG1      ARG  90   3.370  13.786   1.777
  753   1HD   ARG  90           HD2      ARG  90   3.762  16.111   2.359
  754   2HD   ARG  90           HD1      ARG  90   5.195  15.133   2.677
  755    HE   ARG  90           HE       ARG  90   5.718  16.081   0.222
  756   1HH1  ARG  90          1HH1      ARG  90   4.654  17.657   3.156
  757   2HH1  ARG  90          2HH1      ARG  90   5.378  19.181   2.761
  758   1HH2  ARG  90          1HH2      ARG  90   6.701  18.085  -0.294
  759   2HH2  ARG  90          2HH2      ARG  90   6.543  19.424   0.802
  760    H    ALA  91           HN       ALA  91   2.167  12.368   0.878
  761    HA   ALA  91           HA       ALA  91   2.526  10.842   3.225
  762   1HB   ALA  91           HB2      ALA  91  -0.045  11.429   1.766
  763   2HB   ALA  91           HB1      ALA  91   0.123  10.956   3.456
  764   3HB   ALA  91           HB3      ALA  91   0.742  12.517   2.913
  765    H    VAL  92           HN       VAL  92   1.123  10.051   0.070
  766    HA   VAL  92           HA       VAL  92   0.440   7.393   0.762
  767    HB   VAL  92           HB       VAL  92  -0.472   8.814  -1.178
  768   1HG1  VAL  92          3HG1      VAL  92   1.932   7.619  -2.541
  769   2HG1  VAL  92          2HG1      VAL  92   0.587   8.423  -3.350
  770   3HG1  VAL  92          1HG1      VAL  92   1.633   9.336  -2.262
  771   1HG2  VAL  92          1HG2      VAL  92   0.229   5.912  -1.588
  772   2HG2  VAL  92          3HG2      VAL  92  -1.180   6.541  -0.732
  773   3HG2  VAL  92          2HG2      VAL  92  -1.016   6.798  -2.469
  774    H    GLU  93           HN       GLU  93   3.355   8.887  -0.444
  775    HA   GLU  93           HA       GLU  93   4.661   6.516  -1.206
  776   1HB   GLU  93           HB2      GLU  93   5.556   9.265  -0.497
  777   2HB   GLU  93           HB1      GLU  93   6.750   7.983  -0.588
  778   1HG   GLU  93           HG2      GLU  93   5.450   7.539  -2.885
  779   2HG   GLU  93           HG1      GLU  93   5.175   9.271  -2.722
  780    H    GLU  94           HN       GLU  94   4.359   8.124   1.940
  781    HA   GLU  94           HA       GLU  94   5.994   6.267   3.315
  782   1HB   GLU  94           HB2      GLU  94   3.679   7.947   4.286
  783   2HB   GLU  94           HB1      GLU  94   4.637   6.922   5.350
  784   1HG   GLU  94           HG2      GLU  94   6.664   8.178   4.537
  785   2HG   GLU  94           HG1      GLU  94   5.554   9.307   3.767
  786    H    VAL  95           HN       VAL  95   2.593   6.207   2.364
  787    HA   VAL  95           HA       VAL  95   2.006   3.670   3.461
  788    HB   VAL  95           HB       VAL  95   0.852   5.056   1.037
  789   1HG1  VAL  95          2HG1      VAL  95   0.197   2.358   2.212
  790   2HG1  VAL  95          1HG1      VAL  95  -0.977   3.285   1.267
  791   3HG1  VAL  95          3HG1      VAL  95   0.544   2.776   0.537
  792   1HG2  VAL  95          3HG2      VAL  95   0.328   6.077   3.192
  793   2HG2  VAL  95          2HG2      VAL  95  -1.108   5.344   2.477
  794   3HG2  VAL  95          1HG2      VAL  95  -0.262   4.528   3.792
  795    H    LYS  96           HN       LYS  96   3.524   4.661   0.427
  796    HA   LYS  96           HA       LYS  96   3.792   2.150  -0.765
  797   1HB   LYS  96           HB2      LYS  96   5.609   4.557  -0.848
  798   2HB   LYS  96           HB1      LYS  96   5.905   3.110  -1.801
  799   1HG   LYS  96           HG2      LYS  96   3.843   3.395  -2.992
  800   2HG   LYS  96           HG1      LYS  96   3.371   4.727  -1.935
  801   1HD   LYS  96           HD2      LYS  96   4.203   5.543  -4.087
  802   2HD   LYS  96           HD1      LYS  96   5.235   6.061  -2.755
  803   1HE   LYS  96           HE2      LYS  96   6.757   4.171  -3.277
  804   2HE   LYS  96           HE1      LYS  96   5.757   3.801  -4.679
  805   1HZ   LYS  96           HZ2      LYS  96   7.192   6.367  -4.220
  806   2HZ   LYS  96           HZ1      LYS  96   7.703   5.129  -5.260
  807   3HZ   LYS  96           HZ3      LYS  96   6.268   5.974  -5.588
  808    H    LYS  97           HN       LYS  97   5.629   3.524   1.917
  809    HA   LYS  97           HA       LYS  97   7.466   1.311   2.005
  810   1HB   LYS  97           HB2      LYS  97   6.805   3.537   3.908
  811   2HB   LYS  97           HB1      LYS  97   7.775   2.174   4.444
  812   1HG   LYS  97           HG2      LYS  97   9.281   3.878   3.829
  813   2HG   LYS  97           HG1      LYS  97   9.339   2.674   2.542
  814   1HD   LYS  97           HD2      LYS  97   7.881   4.043   1.166
  815   2HD   LYS  97           HD1      LYS  97   7.743   5.232   2.464
  816   1HE   LYS  97           HE2      LYS  97  10.196   5.578   2.341
  817   2HE   LYS  97           HE1      LYS  97  10.249   4.480   0.962
  818   1HZ   LYS  97           HZ1      LYS  97   8.722   7.028   1.079
  819   2HZ   LYS  97           HZ3      LYS  97  10.198   6.800   0.273
  820   3HZ   LYS  97           HZ2      LYS  97   8.808   5.983  -0.255
  821    H    LEU  98           HN       LEU  98   4.279   1.979   3.094
  822    HA   LEU  98           HA       LEU  98   4.216  -0.197   4.992
  823   1HB   LEU  98           HB2      LEU  98   2.100   1.684   3.983
  824   2HB   LEU  98           HB1      LEU  98   1.763   0.387   5.113
  825    HG   LEU  98           HG       LEU  98   3.658   2.690   5.610
  826   1HD1  LEU  98          2HD1      LEU  98   0.907   2.128   6.714
  827   2HD1  LEU  98          1HD1      LEU  98   1.976   3.437   7.219
  828   3HD1  LEU  98          3HD1      LEU  98   1.331   3.409   5.578
  829   1HD2  LEU  98          2HD2      LEU  98   4.346   0.658   6.766
  830   2HD2  LEU  98          1HD2      LEU  98   3.723   1.850   7.906
  831   3HD2  LEU  98          3HD2      LEU  98   2.723   0.476   7.434
  832    H    LEU  99           HN       LEU  99   2.966   0.324   1.649
  833    HA   LEU  99           HA       LEU  99   1.520  -2.128   1.815
  834   1HB   LEU  99           HB2      LEU  99   1.062  -1.977  -0.581
  835   2HB   LEU  99           HB1      LEU  99   0.566  -0.582   0.318
  836    HG   LEU  99           HG       LEU  99   1.711  -0.486  -2.062
  837   1HD1  LEU  99          3HD1      LEU  99   0.592   1.293  -0.929
  838   2HD1  LEU  99          2HD1      LEU  99   2.018   1.569   0.070
  839   3HD1  LEU  99          1HD1      LEU  99   2.093   1.847  -1.671
  840   1HD2  LEU  99          2HD2      LEU  99   3.868  -1.360  -1.336
  841   2HD2  LEU  99          1HD2      LEU  99   3.991   0.295  -1.935
  842   3HD2  LEU  99          3HD2      LEU  99   4.014  -0.019  -0.200
  843    H    VAL 100           HN       VAL 100   4.601  -1.858   2.009
  844    HA   VAL 100           HA       VAL 100   5.504  -3.878   0.168
  845    HB   VAL 100           HB       VAL 100   6.799  -2.766   2.671
  846   1HG1  VAL 100          3HG1      VAL 100   7.690  -4.971   2.126
  847   2HG1  VAL 100          2HG1      VAL 100   8.007  -4.439   0.474
  848   3HG1  VAL 100          1HG1      VAL 100   8.886  -3.711   1.818
  849   1HG2  VAL 100          2HG2      VAL 100   6.467  -1.070   0.960
  850   2HG2  VAL 100          1HG2      VAL 100   8.178  -1.460   1.127
  851   3HG2  VAL 100          3HG2      VAL 100   7.257  -2.102  -0.232
  852    HA   PRO 101           HA       PRO 101   3.900  -7.343   2.453
  853   1HB   PRO 101           HB2      PRO 101   5.483  -9.281   1.415
  854   2HB   PRO 101           HB1      PRO 101   4.162  -8.529   0.513
  855   1HG   PRO 101           HG2      PRO 101   7.094  -7.876   0.450
  856   2HG   PRO 101           HG1      PRO 101   5.981  -8.136  -0.910
  857   1HD   PRO 101           HD2      PRO 101   6.618  -5.670  -0.122
  858   2HD   PRO 101           HD1      PRO 101   4.962  -6.065  -0.636
  859    H    ALA 102           HN       ALA 102   6.547  -5.825   3.316
  860    HA   ALA 102           HA       ALA 102   8.210  -7.655   4.618
  861   1HB   ALA 102           HB3      ALA 102   8.984  -5.763   5.942
  862   2HB   ALA 102           HB2      ALA 102   8.810  -5.311   4.247
  863   3HB   ALA 102           HB1      ALA 102   7.594  -4.813   5.422
  864    H    ALA 103           HN       ALA 103   8.350  -8.278   6.808
  865    HA   ALA 103           HA       ALA 103   5.867  -9.111   7.877
  866   1HB   ALA 103           HB1      ALA 103   7.936 -10.419   8.099
  867   2HB   ALA 103           HB2      ALA 103   7.166 -10.121   9.656
  868   3HB   ALA 103           HB3      ALA 103   8.581  -9.184   9.179
  869    H    GLU 104           HN       GLU 104   7.864  -6.385   8.407
  870    HA   GLU 104           HA       GLU 104   6.039  -5.426  10.488
  871   1HB   GLU 104           HB2      GLU 104   7.881  -4.556  11.815
  872   2HB   GLU 104           HB1      GLU 104   8.067  -6.290  11.609
  873   1HG   GLU 104           HG2      GLU 104   9.541  -4.206  10.007
  874   2HG   GLU 104           HG1      GLU 104  10.186  -5.032  11.422
  875    H    GLY 105           HN       GLY 105   6.384  -3.009  10.843
  876   1HA   GLY 105           HA1      GLY 105   5.791  -1.097   9.516
  877   2HA   GLY 105           HA2      GLY 105   6.742  -1.766   8.197
  878    H    GLU 106           HN       GLU 106   9.071  -2.401   9.568
  879    HA   GLU 106           HA       GLU 106  10.224   0.221   9.879
  880   1HB   GLU 106           HB2      GLU 106  11.131  -0.215  12.114
  881   2HB   GLU 106           HB1      GLU 106   9.377  -0.220  12.115
  882   1HG   GLU 106           HG2      GLU 106   9.410  -2.682  12.061
  883   2HG   GLU 106           HG1      GLU 106  11.169  -2.629  12.180
  884    H    ASP 107           HN       ASP 107  12.650  -0.505  10.978
  885    HA   ASP 107           HA       ASP 107  14.706  -1.195  10.367
  886   1HB   ASP 107           HB2      ASP 107  14.074  -3.491  10.660
  887   2HB   ASP 107           HB1      ASP 107  13.237  -3.509   9.109
  888    H    SER 108           HN       SER 108  12.535  -1.754   7.644
  889    HA   SER 108           HA       SER 108  14.323  -1.074   5.620
  890   1HB   SER 108           HB2      SER 108  12.077  -2.203   5.402
  891   2HB   SER 108           HB1      SER 108  11.338  -0.615   5.589
  892    HG   SER 108           HG       SER 108  13.035  -1.527   3.515
  893    H    LEU 109           HN       LEU 109  12.382   0.899   7.724
  894    HA   LEU 109           HA       LEU 109  12.519   3.344   6.372
  895   1HB   LEU 109           HB2      LEU 109  12.504   2.850   9.353
  896   2HB   LEU 109           HB1      LEU 109  12.115   4.368   8.568
  897    HG   LEU 109           HG       LEU 109  10.538   1.811   8.262
  898   1HD1  LEU 109          1HD1      LEU 109  10.379   2.757  10.518
  899   2HD1  LEU 109          3HD1      LEU 109   9.900   4.307   9.825
  900   3HD1  LEU 109          2HD1      LEU 109   8.858   2.895   9.636
  901   1HD2  LEU 109          3HD2      LEU 109  10.419   3.251   6.297
  902   2HD2  LEU 109          2HD2      LEU 109   8.884   3.243   7.168
  903   3HD2  LEU 109          1HD2      LEU 109   9.977   4.620   7.319
  904    H    LYS 110           HN       LYS 110  14.780   1.742   8.536
  905    HA   LYS 110           HA       LYS 110  16.598   3.993   8.535
  906   1HB   LYS 110           HB2      LYS 110  16.247   2.552  10.542
  907   2HB   LYS 110           HB1      LYS 110  16.976   1.217   9.666
  908   1HG   LYS 110           HG2      LYS 110  19.076   2.438   9.524
  909   2HG   LYS 110           HG1      LYS 110  18.346   3.804  10.372
  910   1HD   LYS 110           HD2      LYS 110  17.913   2.321  12.305
  911   2HD   LYS 110           HD1      LYS 110  18.748   1.017  11.459
  912   1HE   LYS 110           HE2      LYS 110  20.256   2.047  13.032
  913   2HE   LYS 110           HE1      LYS 110  20.785   2.412  11.390
  914   1HZ   LYS 110           HZ2      LYS 110  19.196   4.247  13.102
  915   2HZ   LYS 110           HZ1      LYS 110  20.873   4.340  12.885
  916   3HZ   LYS 110           HZ3      LYS 110  19.834   4.596  11.569
  917    H    LYS 111           HN       LYS 111  16.389   0.743   7.179
  918    HA   LYS 111           HA       LYS 111  18.992   0.685   6.064
  919   1HB   LYS 111           HB2      LYS 111  16.507  -0.861   5.317
  920   2HB   LYS 111           HB1      LYS 111  18.111  -1.199   4.686
  921   1HG   LYS 111           HG2      LYS 111  17.324  -1.326   7.590
  922   2HG   LYS 111           HG1      LYS 111  17.486  -2.710   6.508
  923   1HD   LYS 111           HD2      LYS 111  19.860  -2.112   6.159
  924   2HD   LYS 111           HD1      LYS 111  19.675  -0.801   7.325
  925   1HE   LYS 111           HE2      LYS 111  19.286  -3.740   7.883
  926   2HE   LYS 111           HE1      LYS 111  20.684  -2.775   8.353
  927   1HZ   LYS 111           HZ2      LYS 111  19.170  -1.389   9.689
  928   2HZ   LYS 111           HZ1      LYS 111  17.890  -2.447   9.314
  929   3HZ   LYS 111           HZ3      LYS 111  19.219  -2.998  10.211
  930    H    MET 112           HN       MET 112  15.879   1.774   4.830
  931    HA   MET 112           HA       MET 112  16.842   2.120   2.160
  932   1HB   MET 112           HB2      MET 112  14.316   2.988   3.537
  933   2HB   MET 112           HB1      MET 112  14.683   3.460   1.883
  934   1HG   MET 112           HG2      MET 112  14.844   1.091   1.264
  935   2HG   MET 112           HG1      MET 112  14.411   0.642   2.914
  936   1HE   MET 112           HE2      MET 112  13.232   2.336  -0.420
  937   2HE   MET 112           HE1      MET 112  11.603   2.871  -0.007
  938   3HE   MET 112           HE3      MET 112  13.002   3.637   0.748
  939    H    LYS 113           HN       LYS 113  16.691   4.138   5.006
  940    HA   LYS 113           HA       LYS 113  17.304   6.552   3.599
  941   1HB   LYS 113           HB2      LYS 113  16.393   6.153   6.048
  942   2HB   LYS 113           HB1      LYS 113  18.098   6.113   6.455
  943   1HG   LYS 113           HG2      LYS 113  16.903   8.416   4.944
  944   2HG   LYS 113           HG1      LYS 113  16.833   8.326   6.702
  945   1HD   LYS 113           HD2      LYS 113  18.793   9.428   6.610
  946   2HD   LYS 113           HD1      LYS 113  19.474   7.843   6.248
  947   1HE   LYS 113           HE2      LYS 113  19.429   8.277   3.900
  948   2HE   LYS 113           HE1      LYS 113  18.517   9.772   4.140
  949   1HZ   LYS 113           HZ2      LYS 113  20.506  10.562   5.447
  950   2HZ   LYS 113           HZ1      LYS 113  21.342   9.218   4.840
  951   3HZ   LYS 113           HZ3      LYS 113  20.739  10.393   3.773
  952    H    LEU 114           HN       LEU 114  19.164   3.945   5.056
  953    HA   LEU 114           HA       LEU 114  21.620   5.384   4.786
  954   1HB   LEU 114           HB2      LEU 114  21.229   3.879   6.665
  955   2HB   LEU 114           HB1      LEU 114  21.033   2.530   5.567
  956    HG   LEU 114           HG       LEU 114  23.391   2.760   4.882
  957   1HD1  LEU 114          1HD1      LEU 114  23.647   5.137   5.315
  958   2HD1  LEU 114          3HD1      LEU 114  23.479   4.852   7.048
  959   3HD1  LEU 114          2HD1      LEU 114  24.871   4.205   6.178
  960   1HD2  LEU 114          1HD2      LEU 114  22.758   1.216   6.661
  961   2HD2  LEU 114          3HD2      LEU 114  24.354   1.907   6.956
  962   3HD2  LEU 114          2HD2      LEU 114  22.957   2.498   7.856
  963    H    MET 115           HN       MET 115  20.558   2.214   3.489
  964    HA   MET 115           HA       MET 115  22.690   2.443   1.506
  965   1HB   MET 115           HB2      MET 115  22.644   0.384   2.796
  966   2HB   MET 115           HB1      MET 115  20.988   0.076   2.288
  967   1HG   MET 115           HG2      MET 115  21.708  -0.159  -0.016
  968   2HG   MET 115           HG1      MET 115  23.367   0.216   0.448
  969   1HE   MET 115           HE2      MET 115  20.414  -2.352   0.760
  970   2HE   MET 115           HE1      MET 115  21.123  -3.597   1.789
  971   3HE   MET 115           HE3      MET 115  20.777  -1.999   2.450
  972    H    GLU 116           HN       GLU 116  19.211   1.708   1.634
  973    HA   GLU 116           HA       GLU 116  18.906   1.415  -1.148
  974   1HB   GLU 116           HB2      GLU 116  16.839   2.114   0.923
  975   2HB   GLU 116           HB1      GLU 116  16.497   1.597  -0.723
  976   1HG   GLU 116           HG2      GLU 116  17.916  -0.025   1.377
  977   2HG   GLU 116           HG1      GLU 116  16.248  -0.237   0.849
  978    H    LEU 117           HN       LEU 117  19.394   4.148   0.710
  979    HA   LEU 117           HA       LEU 117  18.010   6.137  -0.723
  980   1HB   LEU 117           HB2      LEU 117  19.387   6.211   1.514
  981   2HB   LEU 117           HB1      LEU 117  20.736   6.575   0.460
  982    HG   LEU 117           HG       LEU 117  19.598   8.549   1.561
  983   1HD1  LEU 117          2HD1      LEU 117  21.074   8.802  -0.371
  984   2HD1  LEU 117          1HD1      LEU 117  19.710   8.533  -1.455
  985   3HD1  LEU 117          3HD1      LEU 117  19.745   9.960  -0.419
  986   1HD2  LEU 117          1HD2      LEU 117  17.440   7.854  -0.428
  987   2HD2  LEU 117          3HD2      LEU 117  17.302   7.844   1.330
  988   3HD2  LEU 117          2HD2      LEU 117  17.545   9.366   0.474
  989    H    ALA 118           HN       ALA 118  21.126   4.583  -1.147
  990    HA   ALA 118           HA       ALA 118  21.068   5.273  -3.939
  991   1HB   ALA 118           HB1      ALA 118  23.483   5.798  -2.218
  992   2HB   ALA 118           HB3      ALA 118  23.439   5.918  -3.976
  993   3HB   ALA 118           HB2      ALA 118  22.477   7.021  -2.993
  994    H    ILE 119           HN       ILE 119  20.488   3.112  -4.193
  995    HA   ILE 119           HA       ILE 119  22.016   0.974  -3.067
  996    HB   ILE 119           HB       ILE 119  20.259   0.672  -5.491
  997   1HG1  ILE 119          2HG1      ILE 119  19.274   0.752  -2.629
  998   2HG1  ILE 119          1HG1      ILE 119  19.074   2.076  -3.774
  999   1HG2  ILE 119          2HG2      ILE 119  21.527  -1.268  -4.721
 1000   2HG2  ILE 119          1HG2      ILE 119  20.818  -1.102  -3.114
 1001   3HG2  ILE 119          3HG2      ILE 119  19.795  -1.513  -4.492
 1002   1HD1  ILE 119          2HD1      ILE 119  17.756   0.598  -5.223
 1003   2HD1  ILE 119          1HD1      ILE 119  17.935  -0.697  -4.040
 1004   3HD1  ILE 119          3HD1      ILE 119  17.048   0.768  -3.617
 1005    H    LEU 120           HN       LEU 120  21.392   1.550  -6.511
 1006    HA   LEU 120           HA       LEU 120  24.024   0.647  -7.176
 1007   1HB   LEU 120           HB2      LEU 120  23.353   0.736  -9.440
 1008   2HB   LEU 120           HB1      LEU 120  22.007   0.116  -8.520
 1009    HG   LEU 120           HG       LEU 120  21.031   1.449 -10.134
 1010   1HD1  LEU 120          3HD1      LEU 120  21.232   3.205  -7.710
 1011   2HD1  LEU 120          2HD1      LEU 120  20.054   3.383  -9.009
 1012   3HD1  LEU 120          1HD1      LEU 120  20.048   1.933  -8.004
 1013   1HD2  LEU 120          1HD2      LEU 120  23.009   2.520 -10.996
 1014   2HD2  LEU 120          3HD2      LEU 120  21.729   3.705 -10.735
 1015   3HD2  LEU 120          2HD2      LEU 120  23.070   3.590  -9.594
 1016    H    ASN 121           HN       ASN 121  25.746   1.817  -7.284
 1017    HA   ASN 121           HA       ASN 121  25.819   4.527  -8.164
 1018   1HB   ASN 121           HB2      ASN 121  26.484   5.609  -6.131
 1019   2HB   ASN 121           HB1      ASN 121  24.993   4.744  -5.770
 1020   1HD2  ASN 121          1HD2      ASN 121  25.082   2.907  -4.441
 1021   2HD2  ASN 121          2HD2      ASN 121  26.445   2.588  -3.433
 1022    H    GLY 122           HN       GLY 122  28.209   5.366  -7.551
 1023   1HA   GLY 122           HA1      GLY 122  30.461   5.058  -7.866
 1024   2HA   GLY 122           HA2      GLY 122  29.961   3.863  -9.048
 1025    H    THR 123           HN       THR 123  29.442   3.620  -5.564
 1026    HA   THR 123           HA       THR 123  31.725   2.087  -4.959
 1027    HB   THR 123           HB       THR 123  29.057   2.062  -3.527
 1028    HG1  THR 123           HG1      THR 123  29.858   3.806  -2.371
 1029   1HG2  THR 123          3HG2      THR 123  30.584   0.264  -2.829
 1030   2HG2  THR 123          2HG2      THR 123  31.850   1.456  -2.531
 1031   3HG2  THR 123          1HG2      THR 123  30.381   1.468  -1.555
 1032    H    TYR 124           HN       TYR 124  28.657   1.202  -6.354
 1033    HA   TYR 124           HA       TYR 124  29.352  -1.649  -6.053
 1034   1HB   TYR 124           HB2      TYR 124  26.635  -0.353  -6.287
 1035   2HB   TYR 124           HB1      TYR 124  26.906  -2.091  -6.347
 1036    HD1  TYR 124           HD1      TYR 124  27.726  -3.280  -4.335
 1037    HD2  TYR 124           HD2      TYR 124  26.650   0.833  -4.220
 1038    HE1  TYR 124           HE1      TYR 124  27.584  -3.393  -1.884
 1039    HE2  TYR 124           HE2      TYR 124  26.510   0.732  -1.768
 1040    HH   TYR 124           HH       TYR 124  26.117  -0.993  -0.022
 1041    H    ARG 125           HN       ARG 125  27.672   0.616  -8.204
 1042    HA   ARG 125           HA       ARG 125  27.497   0.802 -10.438
 1043   1HB   ARG 125           HB2      ARG 125  30.034   0.490 -10.224
 1044   2HB   ARG 125           HB1      ARG 125  29.758  -1.163 -10.749
 1045   1HG   ARG 125           HG2      ARG 125  28.826   1.198 -12.352
 1046   2HG   ARG 125           HG1      ARG 125  30.445   0.523 -12.517
 1047   1HD   ARG 125           HD2      ARG 125  29.455  -1.656 -13.083
 1048   2HD   ARG 125           HD1      ARG 125  27.847  -0.945 -12.960
 1049    HE   ARG 125           HE       ARG 125  28.680   0.602 -14.808
 1050   1HH1  ARG 125          1HH1      ARG 125  29.726  -2.715 -14.405
 1051   2HH1  ARG 125          2HH1      ARG 125  30.125  -2.935 -16.084
 1052   1HH2  ARG 125          1HH2      ARG 125  29.155   0.318 -17.021
 1053   2HH2  ARG 125          2HH2      ARG 125  29.797  -1.200 -17.578
 1054    H    ASP 126           HN       ASP 126  28.423  -2.621  -9.973
 1055    HA   ASP 126           HA       ASP 126  26.687  -3.480 -12.072
 1056   1HB   ASP 126           HB2      ASP 126  28.785  -4.656 -11.472
 1057   2HB   ASP 126           HB1      ASP 126  28.072  -5.117  -9.931
 1058    H    ALA 127           HN       ALA 127  26.188  -2.854  -8.757
 1059    HA   ALA 127           HA       ALA 127  24.029  -4.579  -8.213
 1060   1HB   ALA 127           HB3      ALA 127  24.542  -1.813  -7.123
 1061   2HB   ALA 127           HB1      ALA 127  25.181  -3.318  -6.464
 1062   3HB   ALA 127           HB2      ALA 127  23.445  -3.010  -6.436
 1063    H    ASN 128           HN       ASN 128  24.329  -1.970 -10.336
 1064    HA   ASN 128           HA       ASN 128  21.702  -0.944 -10.386
 1065   1HB   ASN 128           HB2      ASN 128  23.620   0.206 -11.396
 1066   2HB   ASN 128           HB1      ASN 128  23.794  -1.092 -12.576
 1067   1HD2  ASN 128          1HD2      ASN 128  23.562   0.404 -14.264
 1068   2HD2  ASN 128          2HD2      ASN 128  22.015   1.069 -14.676
 1069    H    LEU 129           HN       LEU 129  23.149  -3.821 -11.701
 1070    HA   LEU 129           HA       LEU 129  21.014  -4.289 -13.588
 1071   1HB   LEU 129           HB2      LEU 129  23.275  -6.074 -12.689
 1072   2HB   LEU 129           HB1      LEU 129  22.174  -6.429 -14.007
 1073    HG   LEU 129           HG       LEU 129  24.141  -4.148 -13.901
 1074   1HD1  LEU 129          2HD1      LEU 129  25.196  -6.317 -14.235
 1075   2HD1  LEU 129          1HD1      LEU 129  24.096  -6.653 -15.572
 1076   3HD1  LEU 129          3HD1      LEU 129  25.268  -5.343 -15.704
 1077   1HD2  LEU 129          1HD2      LEU 129  22.236  -4.974 -16.088
 1078   2HD2  LEU 129          3HD2      LEU 129  22.123  -3.512 -15.109
 1079   3HD2  LEU 129          2HD2      LEU 129  23.477  -3.727 -16.221
 1080    H    LYS 130           HN       LYS 130  21.453  -4.782 -10.281
 1081    HA   LYS 130           HA       LYS 130  19.000  -6.238 -10.086
 1082   1HB   LYS 130           HB2      LYS 130  20.586  -8.077 -10.503
 1083   2HB   LYS 130           HB1      LYS 130  21.545  -7.556  -9.124
 1084   1HG   LYS 130           HG2      LYS 130  19.538  -7.967  -7.687
 1085   2HG   LYS 130           HG1      LYS 130  18.761  -8.693  -9.096
 1086   1HD   LYS 130           HD2      LYS 130  19.783 -10.396  -7.668
 1087   2HD   LYS 130           HD1      LYS 130  20.559 -10.335  -9.252
 1088   1HE   LYS 130           HE2      LYS 130  22.190 -10.544  -7.421
 1089   2HE   LYS 130           HE1      LYS 130  22.401  -9.052  -8.337
 1090   1HZ   LYS 130           HZ3      LYS 130  21.170  -7.883  -6.588
 1091   2HZ   LYS 130           HZ2      LYS 130  21.047  -9.319  -5.707
 1092   3HZ   LYS 130           HZ1      LYS 130  22.570  -8.625  -5.983
 1093    H    SER 131           HN       SER 131  18.441  -4.347  -8.946
 1094    HA   SER 131           HA       SER 131  19.689  -4.019  -6.311
 1095   1HB   SER 131           HB2      SER 131  17.714  -2.226  -7.755
 1096   2HB   SER 131           HB1      SER 131  18.504  -1.868  -6.221
 1097    HG   SER 131           HG       SER 131  20.341  -2.513  -8.086
 1098    HA   PRO 132           HA       PRO 132  16.315  -6.089  -4.336
 1099   1HB   PRO 132           HB2      PRO 132  16.604  -4.157  -2.116
 1100   2HB   PRO 132           HB1      PRO 132  16.778  -5.914  -2.107
 1101   1HG   PRO 132           HG2      PRO 132  18.909  -4.316  -1.898
 1102   2HG   PRO 132           HG1      PRO 132  18.982  -5.834  -2.812
 1103   1HD   PRO 132           HD2      PRO 132  18.707  -3.025  -3.821
 1104   2HD   PRO 132           HD1      PRO 132  19.699  -4.357  -4.453
 1105    H    ALA 133           HN       ALA 133  16.303  -2.547  -4.234
 1106    HA   ALA 133           HA       ALA 133  13.376  -2.574  -4.093
 1107   1HB   ALA 133           HB2      ALA 133  14.521  -1.241  -2.398
 1108   2HB   ALA 133           HB1      ALA 133  15.287  -0.288  -3.668
 1109   3HB   ALA 133           HB3      ALA 133  13.538  -0.232  -3.460
 1110    H    LEU 134           HN       LEU 134  13.911  -3.361  -6.455
 1111    HA   LEU 134           HA       LEU 134  14.234  -1.243  -8.366
 1112   1HB   LEU 134           HB2      LEU 134  13.335  -4.105  -8.628
 1113   2HB   LEU 134           HB1      LEU 134  13.373  -3.001  -9.989
 1114    HG   LEU 134           HG       LEU 134  15.759  -3.819  -8.333
 1115   1HD1  LEU 134          1HD1      LEU 134  14.906  -5.626  -9.742
 1116   2HD1  LEU 134          3HD1      LEU 134  14.976  -4.562 -11.146
 1117   3HD1  LEU 134          2HD1      LEU 134  16.463  -5.031 -10.320
 1118   1HD2  LEU 134          2HD2      LEU 134  15.968  -1.546  -9.196
 1119   2HD2  LEU 134          1HD2      LEU 134  17.065  -2.643 -10.035
 1120   3HD2  LEU 134          3HD2      LEU 134  15.574  -2.116 -10.818

  No H/Q in entry =        1120
  Start of MODEL    2
    1    H1   GLN   1           HT2      GLN   1 -10.234  16.122 -11.970
    2    H2   GLN   1           HT1      GLN   1 -11.213  14.744 -11.836
    3    H3   GLN   1           HT3      GLN   1 -11.550  16.121 -10.897
    4    HA   GLN   1           HA       GLN   1  -9.512  15.861  -9.680
    5   1HB   GLN   1           HB2      GLN   1 -10.162  14.047  -8.348
    6   2HB   GLN   1           HB1      GLN   1 -11.664  14.525  -9.119
    7   1HG   GLN   1           HG2      GLN   1 -11.022  12.717 -10.864
    8   2HG   GLN   1           HG1      GLN   1  -9.964  12.140  -9.591
    9   1HE2  GLN   1          1HE2      GLN   1 -10.838  11.257  -7.741
   10   2HE2  GLN   1          2HE2      GLN   1 -12.493  10.763  -7.634
   11    H    LEU   2           HN       LEU   2  -7.712  14.312  -9.145
   12    HA   LEU   2           HA       LEU   2  -6.932  12.744 -11.503
   13   1HB   LEU   2           HB2      LEU   2  -4.658  13.346 -11.255
   14   2HB   LEU   2           HB1      LEU   2  -5.570  14.836 -11.179
   15    HG   LEU   2           HG       LEU   2  -5.369  14.450  -8.579
   16   1HD1  LEU   2          3HD1      LEU   2  -4.253  12.274  -8.755
   17   2HD1  LEU   2          2HD1      LEU   2  -2.935  13.025  -9.656
   18   3HD1  LEU   2          1HD1      LEU   2  -3.219  13.470  -7.974
   19   1HD2  LEU   2          2HD2      LEU   2  -4.549  16.374  -9.841
   20   2HD2  LEU   2          1HD2      LEU   2  -3.388  15.862  -8.614
   21   3HD2  LEU   2          3HD2      LEU   2  -3.117  15.454 -10.307
   22    H    GLN   3           HN       GLN   3  -6.284  10.683 -11.136
   23    HA   GLN   3           HA       GLN   3  -6.219   9.829  -8.307
   24   1HB   GLN   3           HB2      GLN   3  -6.925   7.973 -10.552
   25   2HB   GLN   3           HB1      GLN   3  -7.292   7.822  -8.843
   26   1HG   GLN   3           HG2      GLN   3  -8.803   9.892  -9.248
   27   2HG   GLN   3           HG1      GLN   3  -8.679   9.426 -10.947
   28   1HE2  GLN   3          1HE2      GLN   3  -8.386   6.577 -10.080
   29   2HE2  GLN   3          2HE2      GLN   3  -9.968   6.049  -9.657
   30    H    GLU   4           HN       GLU   4  -4.410   8.804  -7.662
   31    HA   GLU   4           HA       GLU   4  -2.697   7.641  -9.764
   32   1HB   GLU   4           HB2      GLU   4  -1.616   8.460  -7.083
   33   2HB   GLU   4           HB1      GLU   4  -0.759   8.259  -8.608
   34   1HG   GLU   4           HG2      GLU   4  -2.284  10.270  -9.353
   35   2HG   GLU   4           HG1      GLU   4  -2.380  10.539  -7.615
   36    H    LYS   5           HN       LYS   5  -2.312   5.499  -9.595
   37    HA   LYS   5           HA       LYS   5  -3.482   4.190  -7.223
   38   1HB   LYS   5           HB2      LYS   5  -3.159   2.683  -9.770
   39   2HB   LYS   5           HB1      LYS   5  -4.333   2.464  -8.495
   40   1HG   LYS   5           HG2      LYS   5  -5.564   3.215 -10.344
   41   2HG   LYS   5           HG1      LYS   5  -5.406   4.619  -9.280
   42   1HD   LYS   5           HD2      LYS   5  -3.926   5.687 -10.680
   43   2HD   LYS   5           HD1      LYS   5  -3.402   4.189 -11.460
   44   1HE   LYS   5           HE2      LYS   5  -4.701   5.473 -13.018
   45   2HE   LYS   5           HE1      LYS   5  -5.631   4.054 -12.544
   46   1HZ   LYS   5           HZ2      LYS   5  -5.988   6.692 -11.259
   47   2HZ   LYS   5           HZ1      LYS   5  -6.872   6.218 -12.624
   48   3HZ   LYS   5           HZ3      LYS   5  -7.011   5.340 -11.181
   49    H    LEU   6           HN       LEU   6  -2.090   3.210  -6.009
   50    HA   LEU   6           HA       LEU   6   0.442   2.321  -7.199
   51   1HB   LEU   6           HB2      LEU   6  -0.100   2.782  -4.272
   52   2HB   LEU   6           HB1      LEU   6   1.454   2.707  -5.091
   53    HG   LEU   6           HG       LEU   6  -0.584   4.889  -5.564
   54   1HD1  LEU   6          3HD1      LEU   6   0.261   4.893  -3.243
   55   2HD1  LEU   6          2HD1      LEU   6   1.905   5.009  -3.871
   56   3HD1  LEU   6          1HD1      LEU   6   0.750   6.315  -4.167
   57   1HD2  LEU   6          2HD2      LEU   6   1.018   4.461  -7.397
   58   2HD2  LEU   6          1HD2      LEU   6   1.228   6.050  -6.656
   59   3HD2  LEU   6          3HD2      LEU   6   2.347   4.741  -6.269
   60    H    TYR   7           HN       TYR   7   0.250   0.266  -7.718
   61    HA   TYR   7           HA       TYR   7  -1.819  -1.346  -6.571
   62   1HB   TYR   7           HB2      TYR   7   0.117  -1.655  -8.822
   63   2HB   TYR   7           HB1      TYR   7  -0.697  -3.089  -8.191
   64    HD1  TYR   7           HD1      TYR   7  -2.860  -3.624  -8.911
   65    HD2  TYR   7           HD2      TYR   7  -1.347   0.301  -9.545
   66    HE1  TYR   7           HE1      TYR   7  -4.825  -3.093 -10.288
   67    HE2  TYR   7           HE2      TYR   7  -3.302   0.842 -10.922
   68    HH   TYR   7           HH       TYR   7  -6.074  -1.148 -11.029
   69    H    VAL   8           HN       VAL   8  -1.722  -2.978  -5.210
   70    HA   VAL   8           HA       VAL   8   0.868  -4.299  -4.785
   71    HB   VAL   8           HB       VAL   8  -0.079  -4.913  -2.470
   72   1HG1  VAL   8          2HG1      VAL   8   1.806  -3.398  -2.807
   73   2HG1  VAL   8          1HG1      VAL   8   0.687  -2.046  -2.988
   74   3HG1  VAL   8          3HG1      VAL   8   0.803  -2.896  -1.446
   75   1HG2  VAL   8          2HG2      VAL   8  -1.872  -2.591  -3.185
   76   2HG2  VAL   8          1HG2      VAL   8  -2.347  -4.224  -2.699
   77   3HG2  VAL   8          3HG2      VAL   8  -1.595  -3.138  -1.526
   78    HA   PRO   9           HA       PRO   9  -1.879  -7.208  -6.671
   79   1HB   PRO   9           HB2      PRO   9  -0.115  -9.207  -7.113
   80   2HB   PRO   9           HB1      PRO   9  -0.136  -7.723  -8.079
   81   1HG   PRO   9           HG2      PRO   9   1.656  -8.491  -5.809
   82   2HG   PRO   9           HG1      PRO   9   2.064  -7.679  -7.336
   83   1HD   PRO   9           HD2      PRO   9   1.734  -6.338  -4.975
   84   2HD   PRO   9           HD1      PRO   9   1.410  -5.610  -6.562
   85    H    VAL  10           HN       VAL  10  -3.191  -7.622  -4.910
   86    HA   VAL  10           HA       VAL  10  -2.415  -9.160  -2.673
   87    HB   VAL  10           HB       VAL  10  -4.373  -7.610  -2.775
   88   1HG1  VAL  10          3HG1      VAL  10  -5.690  -9.906  -4.194
   89   2HG1  VAL  10          2HG1      VAL  10  -6.532  -8.505  -3.531
   90   3HG1  VAL  10          1HG1      VAL  10  -5.377  -8.298  -4.848
   91   1HG2  VAL  10          2HG2      VAL  10  -4.032  -9.125  -0.898
   92   2HG2  VAL  10          1HG2      VAL  10  -5.750  -8.895  -1.228
   93   3HG2  VAL  10          3HG2      VAL  10  -4.944 -10.378  -1.742
   94    H    LYS  11           HN       LYS  11  -3.442  -9.925  -5.844
   95    HA   LYS  11           HA       LYS  11  -4.170 -12.638  -5.504
   96   1HB   LYS  11           HB2      LYS  11  -3.581 -12.849  -7.930
   97   2HB   LYS  11           HB1      LYS  11  -4.692 -11.533  -7.578
   98   1HG   LYS  11           HG2      LYS  11  -2.843  -9.937  -7.700
   99   2HG   LYS  11           HG1      LYS  11  -1.730 -11.258  -8.064
  100   1HD   LYS  11           HD2      LYS  11  -4.157 -10.648  -9.733
  101   2HD   LYS  11           HD1      LYS  11  -2.579  -9.923 -10.042
  102   1HE   LYS  11           HE2      LYS  11  -3.052 -12.898  -9.915
  103   2HE   LYS  11           HE1      LYS  11  -3.125 -11.966 -11.409
  104   1HZ   LYS  11           HZ1      LYS  11  -0.809 -11.252 -10.959
  105   2HZ   LYS  11           HZ3      LYS  11  -0.751 -12.321  -9.639
  106   3HZ   LYS  11           HZ2      LYS  11  -0.958 -12.918 -11.214
  107    H    GLU  12           HN       GLU  12  -1.147 -10.954  -5.641
  108    HA   GLU  12           HA       GLU  12   0.488 -13.297  -5.948
  109   1HB   GLU  12           HB2      GLU  12   1.135 -10.445  -5.220
  110   2HB   GLU  12           HB1      GLU  12   2.344 -11.711  -5.433
  111   1HG   GLU  12           HG2      GLU  12   0.481 -10.610  -7.519
  112   2HG   GLU  12           HG1      GLU  12   2.235 -10.438  -7.445
  113    H    TYR  13           HN       TYR  13  -0.586 -11.198  -3.349
  114    HA   TYR  13           HA       TYR  13   0.669 -13.026  -1.403
  115   1HB   TYR  13           HB2      TYR  13   0.044 -10.111  -0.897
  116   2HB   TYR  13           HB1      TYR  13   1.044 -11.185   0.075
  117    HD1  TYR  13           HD1      TYR  13   3.332 -11.551  -0.452
  118    HD2  TYR  13           HD2      TYR  13   0.899  -9.231  -3.053
  119    HE1  TYR  13           HE1      TYR  13   5.342 -10.783  -1.624
  120    HE2  TYR  13           HE2      TYR  13   2.907  -8.455  -4.247
  121    HH   TYR  13           HH       TYR  13   5.313  -8.170  -3.792
  122    HA   PRO  14           HA       PRO  14  -3.938 -13.133  -0.800
  123   1HB   PRO  14           HB2      PRO  14  -3.465 -15.975  -0.253
  124   2HB   PRO  14           HB1      PRO  14  -4.542 -15.231  -1.438
  125   1HG   PRO  14           HG2      PRO  14  -2.302 -16.554  -2.156
  126   2HG   PRO  14           HG1      PRO  14  -2.917 -15.163  -3.067
  127   1HD   PRO  14           HD2      PRO  14  -0.683 -15.284  -1.074
  128   2HD   PRO  14           HD1      PRO  14  -0.766 -14.414  -2.621
  129    H    ASP  15           HN       ASP  15  -1.150 -14.039   0.971
  130    HA   ASP  15           HA       ASP  15  -2.688 -14.401   3.436
  131   1HB   ASP  15           HB2      ASP  15  -0.961 -16.109   2.670
  132   2HB   ASP  15           HB1      ASP  15   0.261 -14.907   3.068
  133    H    PHE  16           HN       PHE  16  -0.849 -12.067   1.784
  134    HA   PHE  16           HA       PHE  16  -0.271 -10.637   4.285
  135   1HB   PHE  16           HB2      PHE  16   1.505 -10.835   2.441
  136   2HB   PHE  16           HB1      PHE  16   0.525  -9.665   1.549
  137    HD1  PHE  16           HD1      PHE  16   2.463 -10.218   4.627
  138    HD2  PHE  16           HD2      PHE  16   0.525  -7.347   2.148
  139    HE1  PHE  16           HE1      PHE  16   3.490  -8.403   5.930
  140    HE2  PHE  16           HE2      PHE  16   1.552  -5.537   3.446
  141    HZ   PHE  16           HZ       PHE  16   3.034  -6.060   5.338
  142    H    ASN  17           HN       ASN  17  -1.921  -9.569   4.995
  143    HA   ASN  17           HA       ASN  17  -3.947  -8.564   3.227
  144   1HB   ASN  17           HB2      ASN  17  -4.873  -7.644   5.459
  145   2HB   ASN  17           HB1      ASN  17  -4.882  -9.377   5.189
  146   1HD2  ASN  17          1HD2      ASN  17  -2.165  -7.275   6.215
  147   2HD2  ASN  17          2HD2      ASN  17  -1.919  -8.097   7.723
  148    H    PHE  18           HN       PHE  18  -3.108  -6.894   1.994
  149    HA   PHE  18           HA       PHE  18  -1.595  -4.784   3.089
  150   1HB   PHE  18           HB2      PHE  18  -3.293  -4.845   0.588
  151   2HB   PHE  18           HB1      PHE  18  -2.182  -3.539   1.029
  152    HD1  PHE  18           HD1      PHE  18   0.295  -4.352   1.597
  153    HD2  PHE  18           HD2      PHE  18  -2.542  -6.485  -0.748
  154    HE1  PHE  18           HE1      PHE  18   2.142  -5.589   0.492
  155    HE2  PHE  18           HE2      PHE  18  -0.736  -7.709  -1.844
  156    HZ   PHE  18           HZ       PHE  18   1.737  -7.233  -1.014
  157    H    VAL  19           HN       VAL  19  -5.066  -5.248   2.736
  158    HA   VAL  19           HA       VAL  19  -5.840  -2.737   3.771
  159    HB   VAL  19           HB       VAL  19  -7.228  -5.420   3.898
  160   1HG1  VAL  19          1HG1      VAL  19  -8.054  -3.953   5.664
  161   2HG1  VAL  19          3HG1      VAL  19  -8.344  -2.680   4.478
  162   3HG1  VAL  19          2HG1      VAL  19  -9.268  -4.181   4.408
  163   1HG2  VAL  19          3HG2      VAL  19  -6.859  -4.594   1.638
  164   2HG2  VAL  19          2HG2      VAL  19  -8.572  -4.530   2.056
  165   3HG2  VAL  19          1HG2      VAL  19  -7.606  -3.055   2.067
  166    H    GLY  20           HN       GLY  20  -5.365  -5.883   5.376
  167   1HA   GLY  20           HA1      GLY  20  -4.916  -6.401   7.566
  168   2HA   GLY  20           HA2      GLY  20  -5.742  -4.914   8.005
  169    H    ARG  21           HN       ARG  21  -3.224  -4.418   5.841
  170    HA   ARG  21           HA       ARG  21  -1.215  -3.999   7.917
  171   1HB   ARG  21           HB2      ARG  21  -0.138  -5.173   6.309
  172   2HB   ARG  21           HB1      ARG  21  -1.205  -4.640   5.032
  173   1HG   ARG  21           HG2      ARG  21   0.924  -3.840   4.489
  174   2HG   ARG  21           HG1      ARG  21   0.041  -2.442   5.095
  175   1HD   ARG  21           HD2      ARG  21   2.524  -3.136   5.872
  176   2HD   ARG  21           HD1      ARG  21   1.412  -2.194   6.851
  177    HE   ARG  21           HE       ARG  21   0.813  -4.323   7.967
  178   1HH1  ARG  21          1HH1      ARG  21   3.800  -4.163   6.171
  179   2HH1  ARG  21          2HH1      ARG  21   4.605  -5.338   7.166
  180   1HH2  ARG  21          1HH2      ARG  21   1.855  -5.884   9.254
  181   2HH2  ARG  21          2HH2      ARG  21   3.491  -6.345   8.888
  182    H    ILE  22           HN       ILE  22  -2.973  -2.293   5.378
  183    HA   ILE  22           HA       ILE  22  -1.543   0.188   5.949
  184    HB   ILE  22           HB       ILE  22  -3.661  -0.497   3.903
  185   1HG1  ILE  22          2HG1      ILE  22  -1.557  -1.556   3.396
  186   2HG1  ILE  22          1HG1      ILE  22  -1.790  -0.207   2.288
  187   1HG2  ILE  22          1HG2      ILE  22  -3.835   1.845   4.528
  188   2HG2  ILE  22          3HG2      ILE  22  -2.115   2.068   4.204
  189   3HG2  ILE  22          2HG2      ILE  22  -3.216   1.662   2.887
  190   1HD1  ILE  22          2HD1      ILE  22  -0.299   1.150   3.727
  191   2HD1  ILE  22          1HD1      ILE  22   0.007  -0.289   4.695
  192   3HD1  ILE  22          3HD1      ILE  22   0.488  -0.249   3.000
  193    H    LEU  23           HN       LEU  23  -4.727  -1.235   6.143
  194    HA   LEU  23           HA       LEU  23  -5.855   1.171   7.371
  195   1HB   LEU  23           HB2      LEU  23  -7.137  -1.364   6.335
  196   2HB   LEU  23           HB1      LEU  23  -8.020  -0.059   7.090
  197    HG   LEU  23           HG       LEU  23  -7.504   1.420   5.218
  198   1HD1  LEU  23          1HD1      LEU  23  -5.294   0.523   4.605
  199   2HD1  LEU  23          3HD1      LEU  23  -6.067  -0.947   4.013
  200   3HD1  LEU  23          2HD1      LEU  23  -6.381   0.596   3.219
  201   1HD2  LEU  23          3HD2      LEU  23  -9.457  -0.049   5.124
  202   2HD2  LEU  23          2HD2      LEU  23  -8.789   0.262   3.520
  203   3HD2  LEU  23          1HD2      LEU  23  -8.473  -1.278   4.326
  204    H    GLY  24           HN       GLY  24  -5.096  -2.181   7.918
  205   1HA   GLY  24           HA1      GLY  24  -5.018  -3.469   9.798
  206   2HA   GLY  24           HA2      GLY  24  -6.675  -2.933  10.004
  207    HA   PRO  25           HA       PRO  25  -4.169  -1.257  13.532
  208   1HB   PRO  25           HB2      PRO  25  -1.502  -1.057  13.465
  209   2HB   PRO  25           HB1      PRO  25  -2.309  -2.626  13.563
  210   1HG   PRO  25           HG2      PRO  25  -0.987  -1.318  11.244
  211   2HG   PRO  25           HG1      PRO  25  -1.105  -3.038  11.649
  212   1HD   PRO  25           HD2      PRO  25  -2.700  -1.627   9.798
  213   2HD   PRO  25           HD1      PRO  25  -2.987  -3.267  10.410
  214    H    ARG  26           HN       ARG  26  -2.987   0.224  10.569
  215    HA   ARG  26           HA       ARG  26  -2.781   2.797  11.983
  216   1HB   ARG  26           HB2      ARG  26  -1.081   1.725   9.736
  217   2HB   ARG  26           HB1      ARG  26  -1.054   3.404  10.259
  218   1HG   ARG  26           HG2      ARG  26  -0.375   2.668  12.512
  219   2HG   ARG  26           HG1      ARG  26  -0.339   1.001  11.933
  220   1HD   ARG  26           HD2      ARG  26   1.895   2.006  11.962
  221   2HD   ARG  26           HD1      ARG  26   1.390   1.574  10.330
  222    HE   ARG  26           HE       ARG  26   0.686   4.238  10.767
  223   1HH1  ARG  26          1HH1      ARG  26   3.584   2.308  10.571
  224   2HH1  ARG  26          2HH1      ARG  26   4.543   3.570   9.870
  225   1HH2  ARG  26          1HH2      ARG  26   1.939   5.933   9.869
  226   2HH2  ARG  26          2HH2      ARG  26   3.615   5.649   9.489
  227    H    GLY  27           HN       GLY  27  -5.166   1.773  10.638
  228   1HA   GLY  27           HA1      GLY  27  -6.817   2.576   9.257
  229   2HA   GLY  27           HA2      GLY  27  -5.540   2.774   8.062
  230    H    LEU  28           HN       LEU  28  -5.262   4.493  11.032
  231    HA   LEU  28           HA       LEU  28  -6.594   6.857  10.419
  232   1HB   LEU  28           HB2      LEU  28  -4.105   6.396  12.050
  233   2HB   LEU  28           HB1      LEU  28  -4.937   7.937  11.966
  234    HG   LEU  28           HG       LEU  28  -6.056   5.360  13.069
  235   1HD1  LEU  28          3HD1      LEU  28  -5.267   7.946  14.400
  236   2HD1  LEU  28          2HD1      LEU  28  -6.070   6.591  15.193
  237   3HD1  LEU  28          1HD1      LEU  28  -4.441   6.395  14.546
  238   1HD2  LEU  28          2HD2      LEU  28  -7.328   8.086  12.833
  239   2HD2  LEU  28          1HD2      LEU  28  -7.799   6.635  11.948
  240   3HD2  LEU  28          3HD2      LEU  28  -8.007   6.708  13.699
  241    H    THR  29           HN       THR  29  -3.584   5.592   9.174
  242    HA   THR  29           HA       THR  29  -2.472   8.031   8.304
  243    HB   THR  29           HB       THR  29  -1.203   5.876   8.386
  244    HG1  THR  29           HG1      THR  29  -1.233   7.523   6.087
  245   1HG2  THR  29          2HG2      THR  29  -2.717   5.284   5.839
  246   2HG2  THR  29          1HG2      THR  29  -1.300   4.398   6.406
  247   3HG2  THR  29          3HG2      THR  29  -2.794   4.368   7.345
  248    H    ALA  30           HN       ALA  30  -4.785   5.826   6.806
  249    HA   ALA  30           HA       ALA  30  -4.937   7.186   4.321
  250   1HB   ALA  30           HB3      ALA  30  -5.731   4.897   4.561
  251   2HB   ALA  30           HB1      ALA  30  -7.036   5.943   4.001
  252   3HB   ALA  30           HB2      ALA  30  -6.979   5.429   5.688
  253    H    LYS  31           HN       LYS  31  -6.677   7.417   7.370
  254    HA   LYS  31           HA       LYS  31  -8.608   9.309   6.552
  255   1HB   LYS  31           HB2      LYS  31  -8.787   7.932   8.595
  256   2HB   LYS  31           HB1      LYS  31  -7.444   8.826   9.297
  257   1HG   LYS  31           HG2      LYS  31  -8.795  10.883   9.201
  258   2HG   LYS  31           HG1      LYS  31 -10.145   9.945   8.560
  259   1HD   LYS  31           HD2      LYS  31 -10.143   8.575  10.598
  260   2HD   LYS  31           HD1      LYS  31  -8.812   9.540  11.237
  261   1HE   LYS  31           HE2      LYS  31 -11.578  10.539  10.560
  262   2HE   LYS  31           HE1      LYS  31 -10.939  10.261  12.179
  263   1HZ   LYS  31           HZ1      LYS  31  -9.174  11.946  11.563
  264   2HZ   LYS  31           HZ3      LYS  31 -10.145  12.347  10.229
  265   3HZ   LYS  31           HZ2      LYS  31 -10.733  12.544  11.803
  266    H    GLN  32           HN       GLN  32  -5.376   9.644   7.951
  267    HA   GLN  32           HA       GLN  32  -5.524  12.449   8.354
  268   1HB   GLN  32           HB2      GLN  32  -3.089  10.689   7.993
  269   2HB   GLN  32           HB1      GLN  32  -3.054  12.356   8.550
  270   1HG   GLN  32           HG2      GLN  32  -4.214   9.967   9.947
  271   2HG   GLN  32           HG1      GLN  32  -2.863  10.979  10.458
  272   1HE2  GLN  32          1HE2      GLN  32  -6.311  10.743  10.151
  273   2HE2  GLN  32          2HE2      GLN  32  -6.704  12.080  11.178
  274    H    LEU  33           HN       LEU  33  -4.432  10.443   5.689
  275    HA   LEU  33           HA       LEU  33  -3.241  12.499   4.171
  276   1HB   LEU  33           HB2      LEU  33  -4.233   9.746   3.642
  277   2HB   LEU  33           HB1      LEU  33  -3.969  10.790   2.258
  278    HG   LEU  33           HG       LEU  33  -1.651  10.952   2.679
  279   1HD1  LEU  33          3HD1      LEU  33  -2.152   9.654   5.355
  280   2HD1  LEU  33          2HD1      LEU  33  -0.564  10.029   4.677
  281   3HD1  LEU  33          1HD1      LEU  33  -1.685  11.333   5.071
  282   1HD2  LEU  33          2HD2      LEU  33  -2.550   8.137   3.275
  283   2HD2  LEU  33          1HD2      LEU  33  -2.293   8.847   1.681
  284   3HD2  LEU  33          3HD2      LEU  33  -0.926   8.600   2.766
  285    H    GLU  34           HN       GLU  34  -6.580  11.212   4.147
  286    HA   GLU  34           HA       GLU  34  -7.248  12.899   1.948
  287   1HB   GLU  34           HB2      GLU  34  -9.648  12.348   2.593
  288   2HB   GLU  34           HB1      GLU  34  -8.617  11.015   2.108
  289   1HG   GLU  34           HG2      GLU  34  -8.322  10.376   4.437
  290   2HG   GLU  34           HG1      GLU  34  -9.304  11.752   4.946
  291    H    ALA  35           HN       ALA  35  -7.573  13.112   5.437
  292    HA   ALA  35           HA       ALA  35  -9.087  15.487   5.494
  293   1HB   ALA  35           HB2      ALA  35  -8.450  15.647   7.832
  294   2HB   ALA  35           HB1      ALA  35  -8.876  13.985   7.423
  295   3HB   ALA  35           HB3      ALA  35  -7.181  14.447   7.586
  296    H    GLU  36           HN       GLU  36  -5.597  14.894   5.524
  297    HA   GLU  36           HA       GLU  36  -5.010  17.703   5.890
  298   1HB   GLU  36           HB2      GLU  36  -3.445  15.188   5.881
  299   2HB   GLU  36           HB1      GLU  36  -2.592  16.654   5.414
  300   1HG   GLU  36           HG2      GLU  36  -4.122  16.274   7.976
  301   2HG   GLU  36           HG1      GLU  36  -2.370  16.159   7.800
  302    H    THR  37           HN       THR  37  -4.466  15.306   3.286
  303    HA   THR  37           HA       THR  37  -3.133  17.300   1.714
  304    HB   THR  37           HB       THR  37  -2.769  15.631   0.055
  305    HG1  THR  37           HG1      THR  37  -4.461  13.822   1.436
  306   1HG2  THR  37          3HG2      THR  37  -2.640  14.355   2.789
  307   2HG2  THR  37          2HG2      THR  37  -1.776  13.796   1.356
  308   3HG2  THR  37          1HG2      THR  37  -1.400  15.373   2.054
  309    H    GLY  38           HN       GLY  38  -6.352  16.303   2.160
  310   1HA   GLY  38           HA1      GLY  38  -7.304  17.931  -0.048
  311   2HA   GLY  38           HA2      GLY  38  -8.299  17.123   1.161
  312    H    CYS  39           HN       CYS  39  -6.144  14.918   0.191
  313    HA   CYS  39           HA       CYS  39  -7.706  13.973  -2.094
  314   1HB   CYS  39           HB2      CYS  39  -5.349  14.078  -2.510
  315   2HB   CYS  39           HB1      CYS  39  -4.998  13.230  -1.006
  316    HG   CYS  39           HG       CYS  39  -6.966  11.494  -3.039
  317    H    LYS  40           HN       LYS  40  -9.214  12.528  -1.704
  318    HA   LYS  40           HA       LYS  40  -9.139  11.027   0.759
  319   1HB   LYS  40           HB2      LYS  40 -11.264  11.943  -0.069
  320   2HB   LYS  40           HB1      LYS  40 -11.111  10.980  -1.535
  321   1HG   LYS  40           HG2      LYS  40 -11.343   8.940  -0.298
  322   2HG   LYS  40           HG1      LYS  40 -11.299   9.818   1.235
  323   1HD   LYS  40           HD2      LYS  40 -13.375  10.934   0.685
  324   2HD   LYS  40           HD1      LYS  40 -13.398  10.154  -0.899
  325   1HE   LYS  40           HE2      LYS  40 -13.690   7.995   0.100
  326   2HE   LYS  40           HE1      LYS  40 -13.429   8.654   1.716
  327   1HZ   LYS  40           HZ2      LYS  40 -15.451  10.006   1.392
  328   2HZ   LYS  40           HZ1      LYS  40 -15.727   9.207  -0.081
  329   3HZ   LYS  40           HZ3      LYS  40 -15.754   8.340   1.379
  330    H    ILE  41           HN       ILE  41  -7.491   9.651   0.644
  331    HA   ILE  41           HA       ILE  41  -6.939   8.144  -1.736
  332    HB   ILE  41           HB       ILE  41  -5.032   8.771  -0.475
  333   1HG1  ILE  41          2HG1      ILE  41  -5.577   5.847   0.091
  334   2HG1  ILE  41          1HG1      ILE  41  -4.896   6.504  -1.397
  335   1HG2  ILE  41          3HG2      ILE  41  -6.333   7.489   1.928
  336   2HG2  ILE  41          2HG2      ILE  41  -4.702   8.156   1.890
  337   3HG2  ILE  41          1HG2      ILE  41  -6.094   9.217   1.661
  338   1HD1  ILE  41          2HD1      ILE  41  -3.635   6.645   1.332
  339   2HD1  ILE  41          1HD1      ILE  41  -3.174   5.552   0.026
  340   3HD1  ILE  41          3HD1      ILE  41  -2.951   7.293  -0.162
  341    H    MET  42           HN       MET  42  -8.136   6.480  -2.278
  342    HA   MET  42           HA       MET  42  -9.468   5.009  -0.128
  343   1HB   MET  42           HB2      MET  42 -11.209   4.426  -1.776
  344   2HB   MET  42           HB1      MET  42 -11.091   6.159  -1.513
  345   1HG   MET  42           HG2      MET  42  -9.969   6.468  -3.594
  346   2HG   MET  42           HG1      MET  42  -9.811   4.727  -3.827
  347   1HE   MET  42           HE3      MET  42 -12.288   7.759  -3.641
  348   2HE   MET  42           HE2      MET  42 -13.842   6.980  -3.933
  349   3HE   MET  42           HE1      MET  42 -12.964   6.663  -2.436
  350    H    VAL  43           HN       VAL  43  -9.166   2.910  -0.001
  351    HA   VAL  43           HA       VAL  43  -7.133   1.755  -1.680
  352    HB   VAL  43           HB       VAL  43  -8.668   0.106   0.282
  353   1HG1  VAL  43          3HG1      VAL  43  -6.856  -0.870  -1.016
  354   2HG1  VAL  43          2HG1      VAL  43  -5.747   0.356  -0.399
  355   3HG1  VAL  43          1HG1      VAL  43  -6.451  -0.832   0.702
  356   1HG2  VAL  43          1HG2      VAL  43  -6.767   2.325   1.030
  357   2HG2  VAL  43          3HG2      VAL  43  -8.415   2.071   1.608
  358   3HG2  VAL  43          2HG2      VAL  43  -7.131   0.966   2.094
  359    H    ARG  44           HN       ARG  44  -7.609   0.873  -3.550
  360    HA   ARG  44           HA       ARG  44 -10.380   0.045  -4.036
  361   1HB   ARG  44           HB2      ARG  44  -8.295   1.093  -5.949
  362   2HB   ARG  44           HB1      ARG  44  -9.815   0.384  -6.471
  363   1HG   ARG  44           HG2      ARG  44 -10.887   2.180  -4.932
  364   2HG   ARG  44           HG1      ARG  44  -9.320   2.975  -5.072
  365   1HD   ARG  44           HD2      ARG  44  -9.523   3.109  -7.429
  366   2HD   ARG  44           HD1      ARG  44 -10.942   2.056  -7.438
  367    HE   ARG  44           HE       ARG  44 -11.481   4.318  -5.860
  368   1HH1  ARG  44          1HH1      ARG  44 -11.008   3.414  -9.208
  369   2HH1  ARG  44          2HH1      ARG  44 -12.010   4.687  -9.827
  370   1HH2  ARG  44          1HH2      ARG  44 -12.813   5.993  -6.681
  371   2HH2  ARG  44          2HH2      ARG  44 -13.030   6.159  -8.399
  372    H    GLY  45           HN       GLY  45 -10.766  -1.990  -4.359
  373   1HA   GLY  45           HA1      GLY  45  -8.515  -3.830  -4.425
  374   2HA   GLY  45           HA2      GLY  45  -9.662  -3.931  -5.755
  375    H    LYS  46           HN       LYS  46  -9.611  -6.146  -4.628
  376    HA   LYS  46           HA       LYS  46 -12.110  -6.519  -3.378
  377   1HB   LYS  46           HB2      LYS  46 -11.414  -8.886  -3.225
  378   2HB   LYS  46           HB1      LYS  46 -11.151  -8.211  -4.825
  379   1HG   LYS  46           HG2      LYS  46  -8.732  -7.770  -3.839
  380   2HG   LYS  46           HG1      LYS  46  -9.189  -9.117  -2.796
  381   1HD   LYS  46           HD2      LYS  46  -8.023  -9.967  -4.731
  382   2HD   LYS  46           HD1      LYS  46  -9.720 -10.445  -4.821
  383   1HE   LYS  46           HE2      LYS  46 -10.193  -8.800  -6.452
  384   2HE   LYS  46           HE1      LYS  46  -8.655  -7.989  -6.179
  385   1HZ   LYS  46           HZ2      LYS  46  -8.842 -10.751  -7.236
  386   2HZ   LYS  46           HZ1      LYS  46  -8.819  -9.379  -8.238
  387   3HZ   LYS  46           HZ3      LYS  46  -7.490  -9.712  -7.236
  388    H    GLY  47           HN       GLY  47 -12.381  -5.579  -1.409
  389   1HA   GLY  47           HA1      GLY  47 -10.559  -6.588   0.680
  390   2HA   GLY  47           HA2      GLY  47 -12.298  -6.494   0.916
  391    H    SER  48           HN       SER  48 -12.370  -3.882  -0.498
  392    HA   SER  48           HA       SER  48 -10.704  -2.050   0.874
  393   1HB   SER  48           HB2      SER  48 -11.705  -1.531  -1.283
  394   2HB   SER  48           HB1      SER  48 -13.321  -1.657  -0.593
  395    HG   SER  48           HG       SER  48 -11.370   0.204   0.291
  396    H    MET  49           HN       MET  49 -14.255  -2.506   1.155
  397    HA   MET  49           HA       MET  49 -14.069  -1.736   3.974
  398   1HB   MET  49           HB2      MET  49 -16.046  -0.715   1.942
  399   2HB   MET  49           HB1      MET  49 -16.230  -0.505   3.677
  400   1HG   MET  49           HG2      MET  49 -14.141   0.757   3.750
  401   2HG   MET  49           HG1      MET  49 -13.956   0.546   2.009
  402   1HE   MET  49           HE2      MET  49 -13.637   3.203   1.871
  403   2HE   MET  49           HE1      MET  49 -14.840   4.361   2.437
  404   3HE   MET  49           HE3      MET  49 -13.941   3.384   3.598
  405    H    ARG  50           HN       ARG  50 -14.224  -4.399   2.983
  406    HA   ARG  50           HA       ARG  50 -16.869  -5.341   2.621
  407   1HB   ARG  50           HB2      ARG  50 -14.282  -6.731   3.200
  408   2HB   ARG  50           HB1      ARG  50 -15.795  -7.613   3.064
  409   1HG   ARG  50           HG2      ARG  50 -16.053  -6.525   0.791
  410   2HG   ARG  50           HG1      ARG  50 -14.363  -6.037   0.958
  411   1HD   ARG  50           HD2      ARG  50 -15.414  -8.852   1.098
  412   2HD   ARG  50           HD1      ARG  50 -14.577  -8.136  -0.274
  413    HE   ARG  50           HE       ARG  50 -13.155  -8.135   2.276
  414   1HH1  ARG  50          1HH1      ARG  50 -13.601  -9.670  -0.854
  415   2HH1  ARG  50          2HH1      ARG  50 -12.058 -10.469  -0.804
  416   1HH2  ARG  50          1HH2      ARG  50 -11.146  -9.178   2.326
  417   2HH2  ARG  50          2HH2      ARG  50 -10.652 -10.184   0.994
  418    H    ASP  51           HN       ASP  51 -16.454  -3.917   5.214
  419    HA   ASP  51           HA       ASP  51 -16.670  -5.765   7.341
  420   1HB   ASP  51           HB2      ASP  51 -16.117  -3.345   7.587
  421   2HB   ASP  51           HB1      ASP  51 -17.784  -2.959   7.170
  422    H    LYS  52           HN       LYS  52 -18.558  -6.456   8.466
  423    HA   LYS  52           HA       LYS  52 -20.394  -7.645   6.750
  424   1HB   LYS  52           HB2      LYS  52 -19.955  -8.653   8.861
  425   2HB   LYS  52           HB1      LYS  52 -20.470  -7.213   9.730
  426   1HG   LYS  52           HG2      LYS  52 -22.767  -7.586   8.930
  427   2HG   LYS  52           HG1      LYS  52 -22.225  -9.065   8.133
  428   1HD   LYS  52           HD2      LYS  52 -21.684 -10.083  10.212
  429   2HD   LYS  52           HD1      LYS  52 -21.896  -8.562  11.084
  430   1HE   LYS  52           HE2      LYS  52 -24.065 -10.112   9.671
  431   2HE   LYS  52           HE1      LYS  52 -23.800 -10.062  11.414
  432   1HZ   LYS  52           HZ1      LYS  52 -24.086  -7.554  11.157
  433   2HZ   LYS  52           HZ3      LYS  52 -24.751  -7.896   9.630
  434   3HZ   LYS  52           HZ2      LYS  52 -25.477  -8.518  11.034
  435    H    LYS  53           HN       LYS  53 -20.825  -4.786   8.801
  436    HA   LYS  53           HA       LYS  53 -23.550  -4.475   8.212
  437   1HB   LYS  53           HB2      LYS  53 -23.273  -2.131   8.941
  438   2HB   LYS  53           HB1      LYS  53 -22.647  -3.306  10.083
  439   1HG   LYS  53           HG2      LYS  53 -20.393  -2.790   9.487
  440   2HG   LYS  53           HG1      LYS  53 -20.932  -1.785   8.132
  441   1HD   LYS  53           HD2      LYS  53 -21.874  -0.172   9.595
  442   2HD   LYS  53           HD1      LYS  53 -21.700  -1.237  10.987
  443   1HE   LYS  53           HE2      LYS  53 -19.353  -0.195   9.424
  444   2HE   LYS  53           HE1      LYS  53 -20.038   0.663  10.804
  445   1HZ   LYS  53           HZ3      LYS  53 -19.680  -1.462  12.081
  446   2HZ   LYS  53           HZ2      LYS  53 -18.749  -2.005  10.771
  447   3HZ   LYS  53           HZ1      LYS  53 -18.270  -0.628  11.635
  448    H    LYS  54           HN       LYS  54 -20.662  -3.401   6.526
  449    HA   LYS  54           HA       LYS  54 -22.042  -1.658   4.770
  450   1HB   LYS  54           HB2      LYS  54 -19.291  -2.748   4.936
  451   2HB   LYS  54           HB1      LYS  54 -19.828  -2.174   3.362
  452   1HG   LYS  54           HG2      LYS  54 -20.289  -0.003   4.244
  453   2HG   LYS  54           HG1      LYS  54 -19.989  -0.560   5.886
  454   1HD   LYS  54           HD2      LYS  54 -17.671  -0.961   5.367
  455   2HD   LYS  54           HD1      LYS  54 -17.947  -0.531   3.680
  456   1HE   LYS  54           HE2      LYS  54 -18.260   1.314   6.045
  457   2HE   LYS  54           HE1      LYS  54 -16.902   1.302   4.923
  458   1HZ   LYS  54           HZ2      LYS  54 -18.613   1.743   3.136
  459   2HZ   LYS  54           HZ1      LYS  54 -19.709   2.075   4.383
  460   3HZ   LYS  54           HZ3      LYS  54 -18.313   3.014   4.207
  461    H    GLU  55           HN       GLU  55 -20.925  -5.015   4.441
  462    HA   GLU  55           HA       GLU  55 -21.752  -5.311   1.766
  463   1HB   GLU  55           HB2      GLU  55 -21.760  -7.802   2.340
  464   2HB   GLU  55           HB1      GLU  55 -20.243  -6.936   2.564
  465   1HG   GLU  55           HG2      GLU  55 -20.328  -7.087   4.827
  466   2HG   GLU  55           HG1      GLU  55 -22.093  -7.145   4.883
  467    H    GLU  56           HN       GLU  56 -23.622  -5.255   4.670
  468    HA   GLU  56           HA       GLU  56 -25.859  -6.606   3.401
  469   1HB   GLU  56           HB2      GLU  56 -25.646  -5.215   6.071
  470   2HB   GLU  56           HB1      GLU  56 -27.082  -6.053   5.497
  471   1HG   GLU  56           HG2      GLU  56 -25.681  -8.119   5.297
  472   2HG   GLU  56           HG1      GLU  56 -24.391  -7.236   6.110
  473    H    GLN  57           HN       GLN  57 -25.199  -3.293   4.543
  474    HA   GLN  57           HA       GLN  57 -27.682  -2.424   3.190
  475   1HB   GLN  57           HB2      GLN  57 -27.663  -0.516   4.750
  476   2HB   GLN  57           HB1      GLN  57 -27.664  -2.060   5.602
  477   1HG   GLN  57           HG2      GLN  57 -25.054  -1.701   5.462
  478   2HG   GLN  57           HG1      GLN  57 -25.547  -0.014   5.383
  479   1HE2  GLN  57          1HE2      GLN  57 -24.223  -1.844   7.346
  480   2HE2  GLN  57          2HE2      GLN  57 -25.009  -1.460   8.849
  481    H    ASN  58           HN       ASN  58 -24.284  -1.821   3.520
  482    HA   ASN  58           HA       ASN  58 -24.363   0.626   1.921
  483   1HB   ASN  58           HB2      ASN  58 -23.131   0.589   4.062
  484   2HB   ASN  58           HB1      ASN  58 -22.136  -0.732   3.484
  485   1HD2  ASN  58          1HD2      ASN  58 -22.638   2.638   3.584
  486   2HD2  ASN  58          2HD2      ASN  58 -21.233   3.108   2.669
  487    H    ARG  59           HN       ARG  59 -24.514  -2.425   1.284
  488    HA   ARG  59           HA       ARG  59 -22.371  -3.153  -0.302
  489   1HB   ARG  59           HB2      ARG  59 -24.005  -4.790  -1.345
  490   2HB   ARG  59           HB1      ARG  59 -23.775  -4.886   0.392
  491   1HG   ARG  59           HG2      ARG  59 -26.084  -5.172  -0.082
  492   2HG   ARG  59           HG1      ARG  59 -25.872  -3.607   0.693
  493   1HD   ARG  59           HD2      ARG  59 -27.460  -3.403  -1.106
  494   2HD   ARG  59           HD1      ARG  59 -25.987  -2.533  -1.529
  495    HE   ARG  59           HE       ARG  59 -26.213  -5.263  -2.524
  496   1HH1  ARG  59          1HH1      ARG  59 -26.630  -1.841  -3.168
  497   2HH1  ARG  59          2HH1      ARG  59 -26.588  -2.030  -4.892
  498   1HH2  ARG  59          1HH2      ARG  59 -26.162  -5.519  -4.801
  499   2HH2  ARG  59          2HH2      ARG  59 -26.292  -4.113  -5.826
  500    H    GLY  60           HN       GLY  60 -22.440  -3.663  -2.554
  501   1HA   GLY  60           HA1      GLY  60 -24.225  -2.401  -4.377
  502   2HA   GLY  60           HA2      GLY  60 -22.769  -3.295  -4.796
  503    H    LYS  61           HN       LYS  61 -22.120  -0.838  -2.579
  504    HA   LYS  61           HA       LYS  61 -21.601   1.015  -4.769
  505   1HB   LYS  61           HB2      LYS  61 -22.052   2.853  -3.360
  506   2HB   LYS  61           HB1      LYS  61 -23.355   1.689  -3.238
  507   1HG   LYS  61           HG2      LYS  61 -22.645   1.017  -1.069
  508   2HG   LYS  61           HG1      LYS  61 -21.190   2.025  -1.190
  509   1HD   LYS  61           HD2      LYS  61 -22.368   3.992  -1.034
  510   2HD   LYS  61           HD1      LYS  61 -23.855   3.273  -1.645
  511   1HE   LYS  61           HE2      LYS  61 -24.065   2.036   0.499
  512   2HE   LYS  61           HE1      LYS  61 -22.658   2.920   1.095
  513   1HZ   LYS  61           HZ1      LYS  61 -25.210   4.146   0.187
  514   2HZ   LYS  61           HZ3      LYS  61 -24.732   3.956   1.804
  515   3HZ   LYS  61           HZ2      LYS  61 -23.860   4.988   0.782
  516    HA   PRO  62           HA       PRO  62 -17.607   2.271  -5.006
  517   1HB   PRO  62           HB2      PRO  62 -17.393   3.420  -2.252
  518   2HB   PRO  62           HB1      PRO  62 -16.688   3.996  -3.770
  519   1HG   PRO  62           HG2      PRO  62 -19.060   4.911  -2.708
  520   2HG   PRO  62           HG1      PRO  62 -18.613   5.014  -4.417
  521   1HD   PRO  62           HD2      PRO  62 -20.735   3.507  -3.267
  522   2HD   PRO  62           HD1      PRO  62 -20.207   3.512  -4.960
  523    H    ASN  63           HN       ASN  63 -18.021   0.792  -1.773
  524    HA   ASN  63           HA       ASN  63 -15.289  -0.073  -1.663
  525   1HB   ASN  63           HB2      ASN  63 -16.431  -1.848  -0.018
  526   2HB   ASN  63           HB1      ASN  63 -16.007  -0.221   0.469
  527   1HD2  ASN  63          1HD2      ASN  63 -18.113   1.262  -0.461
  528   2HD2  ASN  63          2HD2      ASN  63 -19.579   0.740   0.297
  529    H    TRP  64           HN       TRP  64 -18.258  -1.353  -2.862
  530    HA   TRP  64           HA       TRP  64 -16.967  -3.788  -3.748
  531   1HB   TRP  64           HB2      TRP  64 -19.761  -2.947  -4.440
  532   2HB   TRP  64           HB1      TRP  64 -19.103  -4.580  -4.310
  533    HD1  TRP  64           HD1      TRP  64 -20.590  -1.822  -2.211
  534    HE1  TRP  64           HE1      TRP  64 -20.809  -2.596   0.214
  535    HE3  TRP  64           HE3      TRP  64 -18.021  -6.200  -2.585
  536    HZ2  TRP  64           HZ2      TRP  64 -19.962  -4.833   1.784
  537    HZ3  TRP  64           HZ3      TRP  64 -17.758  -7.600  -0.582
  538    HH2  TRP  64           HH2      TRP  64 -18.712  -6.927   1.555
  539    H    GLU  65           HN       GLU  65 -18.080  -0.721  -4.895
  540    HA   GLU  65           HA       GLU  65 -18.066  -0.993  -7.622
  541   1HB   GLU  65           HB2      GLU  65 -18.564   1.158  -7.125
  542   2HB   GLU  65           HB1      GLU  65 -17.513   1.171  -5.718
  543   1HG   GLU  65           HG2      GLU  65 -15.648   1.167  -7.627
  544   2HG   GLU  65           HG1      GLU  65 -16.947   1.959  -8.513
  545    H    HIS  66           HN       HIS  66 -15.280  -0.318  -5.560
  546    HA   HIS  66           HA       HIS  66 -13.535  -1.033  -7.786
  547   1HB   HIS  66           HB2      HIS  66 -11.692  -0.150  -6.327
  548   2HB   HIS  66           HB1      HIS  66 -12.883   1.033  -6.857
  549    HD1  HIS  66           HD1      HIS  66 -13.451   2.617  -5.061
  550    HD2  HIS  66           HD2      HIS  66 -12.607  -1.180  -3.594
  551    HE1  HIS  66           HE1      HIS  66 -13.473   2.847  -2.552
  552    HE2  HIS  66           HE2      HIS  66 -12.752   0.590  -1.687
  553    H    LEU  67           HN       LEU  67 -15.044  -2.650  -5.429
  554    HA   LEU  67           HA       LEU  67 -13.057  -4.318  -4.312
  555   1HB   LEU  67           HB2      LEU  67 -15.379  -4.250  -3.499
  556   2HB   LEU  67           HB1      LEU  67 -15.922  -4.966  -5.003
  557    HG   LEU  67           HG       LEU  67 -14.151  -6.838  -4.223
  558   1HD1  LEU  67          2HD1      LEU  67 -15.299  -5.701  -1.685
  559   2HD1  LEU  67          1HD1      LEU  67 -14.426  -7.226  -1.830
  560   3HD1  LEU  67          3HD1      LEU  67 -13.599  -5.702  -2.156
  561   1HD2  LEU  67          3HD2      LEU  67 -17.028  -6.631  -3.352
  562   2HD2  LEU  67          2HD2      LEU  67 -16.449  -7.239  -4.902
  563   3HD2  LEU  67          1HD2      LEU  67 -16.076  -8.114  -3.418
  564    H    ASN  68           HN       ASN  68 -14.440  -4.073  -7.388
  565    HA   ASN  68           HA       ASN  68 -13.689  -6.760  -8.217
  566   1HB   ASN  68           HB2      ASN  68 -14.561  -5.792 -10.508
  567   2HB   ASN  68           HB1      ASN  68 -15.693  -6.273  -9.246
  568   1HD2  ASN  68          1HD2      ASN  68 -16.835  -4.724  -8.142
  569   2HD2  ASN  68          2HD2      ASN  68 -16.925  -3.068  -8.621
  570    H    GLU  69           HN       GLU  69 -12.079  -4.036  -7.723
  571    HA   GLU  69           HA       GLU  69 -10.157  -4.345  -9.900
  572   1HB   GLU  69           HB2      GLU  69 -10.000  -2.643  -7.391
  573   2HB   GLU  69           HB1      GLU  69  -8.941  -2.537  -8.789
  574   1HG   GLU  69           HG2      GLU  69 -11.876  -2.073  -9.073
  575   2HG   GLU  69           HG1      GLU  69 -10.819  -0.799  -8.469
  576    H    ASP  70           HN       ASP  70  -7.827  -4.789  -9.245
  577    HA   ASP  70           HA       ASP  70  -7.728  -6.647  -7.004
  578   1HB   ASP  70           HB2      ASP  70  -6.485  -7.031  -9.244
  579   2HB   ASP  70           HB1      ASP  70  -5.320  -5.858  -8.627
  580    H    LEU  71           HN       LEU  71  -6.408  -6.311  -5.172
  581    HA   LEU  71           HA       LEU  71  -7.034  -3.869  -4.031
  582   1HB   LEU  71           HB2      LEU  71  -6.639  -5.933  -2.783
  583   2HB   LEU  71           HB1      LEU  71  -4.934  -5.842  -3.168
  584    HG   LEU  71           HG       LEU  71  -4.638  -3.897  -1.806
  585   1HD1  LEU  71          3HD1      LEU  71  -7.631  -3.958  -1.459
  586   2HD1  LEU  71          2HD1      LEU  71  -6.529  -2.919  -0.554
  587   3HD1  LEU  71          1HD1      LEU  71  -6.685  -2.731  -2.302
  588   1HD2  LEU  71          2HD2      LEU  71  -4.641  -6.075  -0.672
  589   2HD2  LEU  71          1HD2      LEU  71  -5.214  -4.781   0.381
  590   3HD2  LEU  71          3HD2      LEU  71  -6.367  -5.896  -0.354
  591    H    HIS  72           HN       HIS  72  -6.230  -1.936  -4.456
  592    HA   HIS  72           HA       HIS  72  -3.354  -1.570  -4.230
  593   1HB   HIS  72           HB2      HIS  72  -3.269  -0.072  -6.190
  594   2HB   HIS  72           HB1      HIS  72  -3.645  -1.733  -6.626
  595    HD1  HIS  72           HD1      HIS  72  -5.942  -2.227  -7.620
  596    HD2  HIS  72           HD2      HIS  72  -5.372   1.788  -6.677
  597    HE1  HIS  72           HE1      HIS  72  -7.762  -0.986  -8.825
  598    HE2  HIS  72           HE2      HIS  72  -7.324   1.445  -8.363
  599    H    VAL  73           HN       VAL  73  -2.820   0.775  -3.919
  600    HA   VAL  73           HA       VAL  73  -5.027   2.050  -2.443
  601    HB   VAL  73           HB       VAL  73  -3.308   3.457  -1.362
  602   1HG1  VAL  73          2HG1      VAL  73  -2.798   0.495  -1.147
  603   2HG1  VAL  73          1HG1      VAL  73  -2.297   1.706   0.032
  604   3HG1  VAL  73          3HG1      VAL  73  -4.011   1.418  -0.261
  605   1HG2  VAL  73          1HG2      VAL  73  -1.332   1.748  -2.865
  606   2HG2  VAL  73          3HG2      VAL  73  -1.621   3.471  -3.108
  607   3HG2  VAL  73          2HG2      VAL  73  -0.932   2.897  -1.589
  608    H    LEU  74           HN       LEU  74  -5.764   4.025  -3.040
  609    HA   LEU  74           HA       LEU  74  -4.517   5.225  -5.418
  610   1HB   LEU  74           HB2      LEU  74  -6.519   3.749  -5.921
  611   2HB   LEU  74           HB1      LEU  74  -7.489   4.889  -5.026
  612    HG   LEU  74           HG       LEU  74  -5.878   5.715  -7.437
  613   1HD1  LEU  74          3HD1      LEU  74  -8.745   4.792  -7.329
  614   2HD1  LEU  74          2HD1      LEU  74  -7.941   5.506  -8.728
  615   3HD1  LEU  74          1HD1      LEU  74  -7.411   3.940  -8.109
  616   1HD2  LEU  74          2HD2      LEU  74  -6.639   7.510  -5.957
  617   2HD2  LEU  74          1HD2      LEU  74  -7.482   7.550  -7.506
  618   3HD2  LEU  74          3HD2      LEU  74  -8.291   6.908  -6.077
  619    H    ILE  75           HN       ILE  75  -3.882   7.137  -4.862
  620    HA   ILE  75           HA       ILE  75  -5.380   8.709  -2.961
  621    HB   ILE  75           HB       ILE  75  -3.691  10.514  -3.861
  622   1HG1  ILE  75          2HG1      ILE  75  -2.187   7.992  -4.525
  623   2HG1  ILE  75          1HG1      ILE  75  -2.972   8.992  -5.743
  624   1HG2  ILE  75          3HG2      ILE  75  -3.736   9.624  -1.610
  625   2HG2  ILE  75          2HG2      ILE  75  -2.820   8.217  -2.147
  626   3HG2  ILE  75          1HG2      ILE  75  -2.081   9.818  -2.190
  627   1HD1  ILE  75          2HD1      ILE  75  -1.573  10.894  -4.990
  628   2HD1  ILE  75          1HD1      ILE  75  -0.715   9.775  -3.928
  629   3HD1  ILE  75          3HD1      ILE  75  -0.664   9.543  -5.678
  630    H    THR  76           HN       THR  76  -7.252   9.372  -3.653
  631    HA   THR  76           HA       THR  76  -7.523  10.504  -6.345
  632    HB   THR  76           HB       THR  76  -9.984  10.475  -4.856
  633    HG1  THR  76           HG1      THR  76  -9.258   8.830  -3.574
  634   1HG2  THR  76          1HG2      THR  76  -9.796  10.357  -7.284
  635   2HG2  THR  76          3HG2      THR  76  -9.022   8.779  -7.152
  636   3HG2  THR  76          2HG2      THR  76 -10.699   8.982  -6.649
  637    H    VAL  77           HN       VAL  77  -7.004  12.627  -6.338
  638    HA   VAL  77           HA       VAL  77  -8.147  14.246  -4.172
  639    HB   VAL  77           HB       VAL  77  -5.700  14.256  -4.123
  640   1HG1  VAL  77          2HG1      VAL  77  -5.861  15.353  -6.918
  641   2HG1  VAL  77          1HG1      VAL  77  -4.403  15.291  -5.927
  642   3HG1  VAL  77          3HG1      VAL  77  -5.193  13.796  -6.428
  643   1HG2  VAL  77          2HG2      VAL  77  -6.867  16.248  -3.398
  644   2HG2  VAL  77          1HG2      VAL  77  -5.339  16.670  -4.173
  645   3HG2  VAL  77          3HG2      VAL  77  -6.859  16.877  -5.046
  646    H    GLU  78           HN       GLU  78  -9.789  15.436  -4.785
  647    HA   GLU  78           HA       GLU  78 -10.189  16.022  -7.599
  648   1HB   GLU  78           HB2      GLU  78 -11.861  16.736  -5.176
  649   2HB   GLU  78           HB1      GLU  78 -12.339  16.989  -6.854
  650   1HG   GLU  78           HG2      GLU  78 -12.064  14.491  -7.161
  651   2HG   GLU  78           HG1      GLU  78 -11.939  14.387  -5.409
  652    H    ASP  79           HN       ASP  79  -8.610  17.417  -8.127
  653    HA   ASP  79           HA       ASP  79  -8.843  20.158  -7.627
  654   1HB   ASP  79           HB2      ASP  79  -7.896  19.131  -5.376
  655   2HB   ASP  79           HB1      ASP  79  -6.384  19.092  -6.279
  656    H    ALA  80           HN       ALA  80  -7.473  21.280  -9.032
  657    HA   ALA  80           HA       ALA  80  -6.031  19.532 -10.886
  658   1HB   ALA  80           HB1      ALA  80  -7.791  20.924 -11.824
  659   2HB   ALA  80           HB3      ALA  80  -6.963  22.370 -11.247
  660   3HB   ALA  80           HB2      ALA  80  -6.213  21.358 -12.483
  661    H    GLN  81           HN       GLN  81  -5.236  21.277  -8.248
  662    HA   GLN  81           HA       GLN  81  -2.909  22.603  -9.394
  663   1HB   GLN  81           HB2      GLN  81  -4.518  23.425  -7.455
  664   2HB   GLN  81           HB1      GLN  81  -3.404  22.502  -6.455
  665   1HG   GLN  81           HG2      GLN  81  -2.829  24.889  -6.588
  666   2HG   GLN  81           HG1      GLN  81  -1.550  23.838  -7.201
  667   1HE2  GLN  81          1HE2      GLN  81  -0.956  23.958  -9.306
  668   2HE2  GLN  81          2HE2      GLN  81  -1.588  25.119 -10.424
  669    H    ASN  82           HN       ASN  82  -0.889  21.856  -9.305
  670    HA   ASN  82           HA       ASN  82  -0.416  19.156  -8.645
  671   1HB   ASN  82           HB2      ASN  82   1.408  21.424  -9.397
  672   2HB   ASN  82           HB1      ASN  82   2.038  19.835  -8.977
  673   1HD2  ASN  82          1HD2      ASN  82   1.460  18.046 -10.267
  674   2HD2  ASN  82          2HD2      ASN  82   0.983  18.267 -11.926
  675    H    ARG  83           HN       ARG  83  -0.020  22.125  -6.857
  676    HA   ARG  83           HA       ARG  83   1.636  21.194  -4.809
  677   1HB   ARG  83           HB2      ARG  83   0.822  23.566  -5.144
  678   2HB   ARG  83           HB1      ARG  83  -0.701  23.069  -4.420
  679   1HG   ARG  83           HG2      ARG  83   0.696  24.153  -2.773
  680   2HG   ARG  83           HG1      ARG  83   0.495  22.446  -2.366
  681   1HD   ARG  83           HD2      ARG  83   2.674  21.949  -3.337
  682   2HD   ARG  83           HD1      ARG  83   2.875  23.641  -3.783
  683    HE   ARG  83           HE       ARG  83   2.408  23.345  -0.985
  684   1HH1  ARG  83          1HH1      ARG  83   4.879  23.008  -3.458
  685   2HH1  ARG  83          2HH1      ARG  83   6.192  23.306  -2.354
  686   1HH2  ARG  83          1HH2      ARG  83   4.139  23.735   0.449
  687   2HH2  ARG  83          2HH2      ARG  83   5.776  23.713  -0.143
  688    H    ALA  84           HN       ALA  84  -1.842  20.864  -5.311
  689    HA   ALA  84           HA       ALA  84  -2.496  19.586  -2.906
  690   1HB   ALA  84           HB2      ALA  84  -3.745  19.148  -5.628
  691   2HB   ALA  84           HB1      ALA  84  -4.460  18.712  -4.077
  692   3HB   ALA  84           HB3      ALA  84  -4.208  20.412  -4.485
  693    H    GLU  85           HN       GLU  85  -1.983  18.121  -6.103
  694    HA   GLU  85           HA       GLU  85  -2.073  15.510  -5.114
  695   1HB   GLU  85           HB2      GLU  85  -1.068  14.820  -7.269
  696   2HB   GLU  85           HB1      GLU  85  -2.499  15.825  -7.412
  697   1HG   GLU  85           HG2      GLU  85  -1.206  16.790  -9.006
  698   2HG   GLU  85           HG1      GLU  85  -0.731  17.762  -7.617
  699    H    LEU  86           HN       LEU  86   0.608  17.722  -5.405
  700    HA   LEU  86           HA       LEU  86   2.718  15.932  -5.009
  701   1HB   LEU  86           HB2      LEU  86   2.876  18.392  -5.546
  702   2HB   LEU  86           HB1      LEU  86   2.517  18.717  -3.865
  703    HG   LEU  86           HG       LEU  86   4.562  17.441  -3.224
  704   1HD1  LEU  86          1HD1      LEU  86   5.069  17.475  -6.196
  705   2HD1  LEU  86          3HD1      LEU  86   6.238  17.005  -4.962
  706   3HD1  LEU  86          2HD1      LEU  86   4.775  16.049  -5.201
  707   1HD2  LEU  86          2HD2      LEU  86   4.573  19.878  -3.368
  708   2HD2  LEU  86          1HD2      LEU  86   6.128  19.204  -3.856
  709   3HD2  LEU  86          3HD2      LEU  86   4.993  19.781  -5.078
  710    H    LYS  87           HN       LYS  87   0.495  17.467  -2.731
  711    HA   LYS  87           HA       LYS  87   1.878  16.578  -0.416
  712   1HB   LYS  87           HB2      LYS  87   0.208  18.479  -0.504
  713   2HB   LYS  87           HB1      LYS  87  -1.060  17.260  -0.539
  714   1HG   LYS  87           HG2      LYS  87  -0.303  16.386   1.606
  715   2HG   LYS  87           HG1      LYS  87   1.004  17.566   1.635
  716   1HD   LYS  87           HD2      LYS  87  -0.629  19.385   1.712
  717   2HD   LYS  87           HD1      LYS  87  -1.947  18.209   1.650
  718   1HE   LYS  87           HE2      LYS  87  -1.173  17.238   3.762
  719   2HE   LYS  87           HE1      LYS  87   0.139  18.412   3.825
  720   1HZ   LYS  87           HZ1      LYS  87  -2.763  19.062   3.897
  721   2HZ   LYS  87           HZ3      LYS  87  -1.721  19.067   5.236
  722   3HZ   LYS  87           HZ2      LYS  87  -1.498  20.188   3.980
  723    H    LEU  88           HN       LEU  88  -0.915  15.185  -2.219
  724    HA   LEU  88           HA       LEU  88  -1.079  13.102  -0.281
  725   1HB   LEU  88           HB2      LEU  88  -2.511  11.858  -2.024
  726   2HB   LEU  88           HB1      LEU  88  -3.123  13.183  -1.085
  727    HG   LEU  88           HG       LEU  88  -4.037  13.215  -3.261
  728   1HD1  LEU  88          3HD1      LEU  88  -3.330  15.366  -2.113
  729   2HD1  LEU  88          2HD1      LEU  88  -2.122  15.465  -3.396
  730   3HD1  LEU  88          1HD1      LEU  88  -3.831  15.400  -3.804
  731   1HD2  LEU  88          2HD2      LEU  88  -1.234  13.184  -4.285
  732   2HD2  LEU  88          1HD2      LEU  88  -2.530  12.010  -4.551
  733   3HD2  LEU  88          3HD2      LEU  88  -2.641  13.619  -5.261
  734    H    LYS  89           HN       LYS  89   0.662  13.310  -3.307
  735    HA   LYS  89           HA       LYS  89   1.162  10.518  -3.404
  736   1HB   LYS  89           HB2      LYS  89   3.159  11.193  -4.850
  737   2HB   LYS  89           HB1      LYS  89   1.543  11.545  -5.440
  738   1HG   LYS  89           HG2      LYS  89   1.783  13.803  -5.159
  739   2HG   LYS  89           HG1      LYS  89   3.022  13.625  -3.915
  740   1HD   LYS  89           HD2      LYS  89   3.792  14.466  -6.173
  741   2HD   LYS  89           HD1      LYS  89   4.661  13.104  -5.478
  742   1HE   LYS  89           HE2      LYS  89   4.222  12.835  -7.895
  743   2HE   LYS  89           HE1      LYS  89   3.507  11.559  -6.915
  744   1HZ   LYS  89           HZ1      LYS  89   1.927  13.925  -7.748
  745   2HZ   LYS  89           HZ3      LYS  89   2.107  12.581  -8.759
  746   3HZ   LYS  89           HZ2      LYS  89   1.368  12.396  -7.251
  747    H    ARG  90           HN       ARG  90   2.913  13.189  -1.844
  748    HA   ARG  90           HA       ARG  90   5.141  11.603  -1.094
  749   1HB   ARG  90           HB2      ARG  90   5.697  13.367   0.467
  750   2HB   ARG  90           HB1      ARG  90   5.142  14.087  -1.036
  751   1HG   ARG  90           HG2      ARG  90   2.881  14.324   0.050
  752   2HG   ARG  90           HG1      ARG  90   3.660  13.879   1.567
  753   1HD   ARG  90           HD2      ARG  90   4.464  16.206  -0.174
  754   2HD   ARG  90           HD1      ARG  90   3.436  16.319   1.254
  755    HE   ARG  90           HE       ARG  90   5.388  15.507   2.544
  756   1HH1  ARG  90          1HH1      ARG  90   5.924  16.902  -0.614
  757   2HH1  ARG  90          2HH1      ARG  90   7.531  17.455  -0.251
  758   1HH2  ARG  90          1HH2      ARG  90   7.484  16.270   3.060
  759   2HH2  ARG  90          2HH2      ARG  90   8.405  17.123   1.855
  760    H    ALA  91           HN       ALA  91   2.056  12.308   0.448
  761    HA   ALA  91           HA       ALA  91   2.549  10.925   2.868
  762   1HB   ALA  91           HB2      ALA  91  -0.087  11.506   1.531
  763   2HB   ALA  91           HB1      ALA  91   0.164  11.108   3.229
  764   3HB   ALA  91           HB3      ALA  91   0.789  12.626   2.578
  765    H    VAL  92           HN       VAL  92   0.881  10.021  -0.127
  766    HA   VAL  92           HA       VAL  92   0.215   7.408   0.701
  767    HB   VAL  92           HB       VAL  92  -0.764   8.781  -1.241
  768   1HG1  VAL  92          2HG1      VAL  92   1.560   7.499  -2.666
  769   2HG1  VAL  92          1HG1      VAL  92   0.187   8.288  -3.446
  770   3HG1  VAL  92          3HG1      VAL  92   1.286   9.228  -2.436
  771   1HG2  VAL  92          1HG2      VAL  92  -1.461   6.519  -0.668
  772   2HG2  VAL  92          3HG2      VAL  92  -1.444   6.752  -2.416
  773   3HG2  VAL  92          2HG2      VAL  92  -0.142   5.855  -1.633
  774    H    GLU  93           HN       GLU  93   3.090   8.796  -0.709
  775    HA   GLU  93           HA       GLU  93   4.359   6.377  -1.373
  776   1HB   GLU  93           HB2      GLU  93   5.265   9.155  -0.844
  777   2HB   GLU  93           HB1      GLU  93   6.464   7.875  -0.850
  778   1HG   GLU  93           HG2      GLU  93   5.441   7.208  -3.107
  779   2HG   GLU  93           HG1      GLU  93   4.691   8.802  -3.072
  780    H    GLU  94           HN       GLU  94   4.070   8.119   1.682
  781    HA   GLU  94           HA       GLU  94   5.687   6.296   3.132
  782   1HB   GLU  94           HB2      GLU  94   3.429   8.092   3.988
  783   2HB   GLU  94           HB1      GLU  94   4.275   7.043   5.120
  784   1HG   GLU  94           HG2      GLU  94   5.454   9.265   3.477
  785   2HG   GLU  94           HG1      GLU  94   5.234   9.229   5.227
  786    H    VAL  95           HN       VAL  95   2.305   6.190   2.121
  787    HA   VAL  95           HA       VAL  95   1.695   3.714   3.357
  788    HB   VAL  95           HB       VAL  95   0.625   4.846   0.766
  789   1HG1  VAL  95          1HG1      VAL  95   0.451   2.362   0.909
  790   2HG1  VAL  95          3HG1      VAL  95  -0.461   2.550   2.408
  791   3HG1  VAL  95          2HG1      VAL  95  -1.120   3.173   0.895
  792   1HG2  VAL  95          1HG2      VAL  95   0.109   6.198   2.739
  793   2HG2  VAL  95          3HG2      VAL  95  -1.343   5.421   2.106
  794   3HG2  VAL  95          2HG2      VAL  95  -0.552   4.777   3.546
  795    H    LYS  96           HN       LYS  96   3.232   4.549   0.286
  796    HA   LYS  96           HA       LYS  96   3.633   2.005  -0.749
  797   1HB   LYS  96           HB2      LYS  96   4.158   3.868  -2.094
  798   2HB   LYS  96           HB1      LYS  96   5.207   4.562  -0.870
  799   1HG   LYS  96           HG2      LYS  96   6.669   2.480  -1.272
  800   2HG   LYS  96           HG1      LYS  96   5.748   2.333  -2.775
  801   1HD   LYS  96           HD2      LYS  96   7.123   4.853  -1.896
  802   2HD   LYS  96           HD1      LYS  96   7.882   3.658  -2.954
  803   1HE   LYS  96           HE2      LYS  96   6.029   3.968  -4.563
  804   2HE   LYS  96           HE1      LYS  96   5.346   5.202  -3.504
  805   1HZ   LYS  96           HZ1      LYS  96   7.374   6.511  -3.796
  806   2HZ   LYS  96           HZ3      LYS  96   8.006   5.325  -4.832
  807   3HZ   LYS  96           HZ2      LYS  96   6.628   6.203  -5.286
  808    H    LYS  97           HN       LYS  97   5.208   3.669   1.869
  809    HA   LYS  97           HA       LYS  97   7.414   1.885   2.180
  810   1HB   LYS  97           HB2      LYS  97   7.077   4.310   3.059
  811   2HB   LYS  97           HB1      LYS  97   6.206   3.548   4.377
  812   1HG   LYS  97           HG2      LYS  97   8.395   3.901   5.150
  813   2HG   LYS  97           HG1      LYS  97   8.279   2.176   4.796
  814   1HD   LYS  97           HD2      LYS  97  10.387   3.095   3.987
  815   2HD   LYS  97           HD1      LYS  97   9.381   2.542   2.646
  816   1HE   LYS  97           HE2      LYS  97  10.428   4.690   2.137
  817   2HE   LYS  97           HE1      LYS  97   8.675   4.840   2.213
  818   1HZ   LYS  97           HZ3      LYS  97  10.574   5.604   4.370
  819   2HZ   LYS  97           HZ2      LYS  97   9.775   6.674   3.330
  820   3HZ   LYS  97           HZ1      LYS  97   8.890   5.760   4.439
  821    H    LEU  98           HN       LEU  98   4.114   2.033   3.286
  822    HA   LEU  98           HA       LEU  98   4.483  -0.088   5.226
  823   1HB   LEU  98           HB2      LEU  98   2.334   1.830   4.565
  824   2HB   LEU  98           HB1      LEU  98   1.830   0.298   5.255
  825    HG   LEU  98           HG       LEU  98   3.281   0.737   7.213
  826   1HD1  LEU  98          2HD1      LEU  98   4.928   2.183   6.148
  827   2HD1  LEU  98          1HD1      LEU  98   3.702   3.434   5.940
  828   3HD1  LEU  98          3HD1      LEU  98   4.211   2.958   7.560
  829   1HD2  LEU  98          2HD2      LEU  98   1.279   2.897   6.577
  830   2HD2  LEU  98          1HD2      LEU  98   0.930   1.321   7.285
  831   3HD2  LEU  98          3HD2      LEU  98   1.884   2.498   8.186
  832    H    LEU  99           HN       LEU  99   3.070   0.293   2.033
  833    HA   LEU  99           HA       LEU  99   1.424  -2.032   2.200
  834   1HB   LEU  99           HB2      LEU  99   1.062  -1.677  -0.246
  835   2HB   LEU  99           HB1      LEU  99   0.581  -0.367   0.809
  836    HG   LEU  99           HG       LEU  99   2.677   0.829   0.203
  837   1HD1  LEU  99          3HD1      LEU  99   2.927  -1.329  -1.883
  838   2HD1  LEU  99          2HD1      LEU  99   3.872   0.159  -1.818
  839   3HD1  LEU  99          1HD1      LEU  99   4.034  -1.047  -0.540
  840   1HD2  LEU  99          2HD2      LEU  99   0.540   1.347  -0.841
  841   2HD2  LEU  99          1HD2      LEU  99   1.877   1.556  -1.973
  842   3HD2  LEU  99          3HD2      LEU  99   0.846   0.129  -2.079
  843    H    VAL 100           HN       VAL 100   4.529  -2.069   2.314
  844    HA   VAL 100           HA       VAL 100   5.135  -3.923   0.210
  845    HB   VAL 100           HB       VAL 100   7.317  -4.121   1.314
  846   1HG1  VAL 100          3HG1      VAL 100   6.376  -1.291   0.957
  847   2HG1  VAL 100          2HG1      VAL 100   8.063  -1.807   0.983
  848   3HG1  VAL 100          1HG1      VAL 100   6.991  -2.358  -0.304
  849   1HG2  VAL 100          2HG2      VAL 100   6.607  -3.903   3.636
  850   2HG2  VAL 100          1HG2      VAL 100   7.885  -2.751   3.249
  851   3HG2  VAL 100          3HG2      VAL 100   6.210  -2.209   3.354
  852    HA   PRO 101           HA       PRO 101   3.770  -7.598   2.370
  853   1HB   PRO 101           HB2      PRO 101   5.386  -9.393   1.091
  854   2HB   PRO 101           HB1      PRO 101   3.909  -8.732   0.382
  855   1HG   PRO 101           HG2      PRO 101   6.751  -7.871  -0.025
  856   2HG   PRO 101           HG1      PRO 101   5.475  -8.110  -1.234
  857   1HD   PRO 101           HD2      PRO 101   6.122  -5.665  -0.368
  858   2HD   PRO 101           HD1      PRO 101   4.435  -6.100  -0.708
  859    H    ALA 102           HN       ALA 102   6.747  -6.182   2.561
  860    HA   ALA 102           HA       ALA 102   8.109  -5.971   4.340
  861   1HB   ALA 102           HB3      ALA 102   7.775  -7.231   6.404
  862   2HB   ALA 102           HB1      ALA 102   6.568  -8.227   5.592
  863   3HB   ALA 102           HB2      ALA 102   6.274  -6.502   5.830
  864    H    ALA 103           HN       ALA 103   7.657  -9.445   4.490
  865    HA   ALA 103           HA       ALA 103  10.088  -9.935   3.040
  866   1HB   ALA 103           HB1      ALA 103  10.942  -9.417   5.276
  867   2HB   ALA 103           HB2      ALA 103  11.243 -11.097   4.833
  868   3HB   ALA 103           HB3      ALA 103   9.937 -10.699   5.951
  869    H    GLU 104           HN       GLU 104   9.016 -11.228   1.647
  870    HA   GLU 104           HA       GLU 104   8.213 -13.825   2.738
  871   1HB   GLU 104           HB2      GLU 104   6.140 -12.576   2.242
  872   2HB   GLU 104           HB1      GLU 104   6.687 -12.338   0.588
  873   1HG   GLU 104           HG2      GLU 104   6.551 -14.668   0.123
  874   2HG   GLU 104           HG1      GLU 104   6.262 -15.050   1.818
  875    H    GLY 105           HN       GLY 105   9.383 -15.359   1.849
  876   1HA   GLY 105           HA1      GLY 105  11.038 -16.261   0.499
  877   2HA   GLY 105           HA2      GLY 105  11.057 -14.768  -0.422
  878    H    GLU 106           HN       GLU 106   9.602 -14.497  -2.146
  879    HA   GLU 106           HA       GLU 106   7.713 -16.461  -2.918
  880   1HB   GLU 106           HB2      GLU 106   9.046 -14.216  -4.425
  881   2HB   GLU 106           HB1      GLU 106   7.878 -15.287  -5.182
  882   1HG   GLU 106           HG2      GLU 106   6.218 -14.604  -3.474
  883   2HG   GLU 106           HG1      GLU 106   7.393 -13.448  -2.847
  884    H    ASP 107           HN       ASP 107  11.094 -16.293  -3.164
  885    HA   ASP 107           HA       ASP 107  11.862 -17.486  -5.467
  886   1HB   ASP 107           HB2      ASP 107  13.459 -16.823  -3.759
  887   2HB   ASP 107           HB1      ASP 107  12.905 -18.122  -2.706
  888    H    SER 108           HN       SER 108  11.385 -19.495  -2.566
  889    HA   SER 108           HA       SER 108  11.136 -21.845  -4.204
  890   1HB   SER 108           HB2      SER 108  12.289 -21.710  -1.954
  891   2HB   SER 108           HB1      SER 108  10.684 -21.618  -1.235
  892    HG   SER 108           HG       SER 108  11.326 -23.753  -1.234
  893    H    LEU 109           HN       LEU 109   9.009 -19.813  -2.310
  894    HA   LEU 109           HA       LEU 109   6.807 -21.512  -2.157
  895   1HB   LEU 109           HB2      LEU 109   6.831 -18.500  -2.281
  896   2HB   LEU 109           HB1      LEU 109   5.473 -19.481  -1.764
  897    HG   LEU 109           HG       LEU 109   8.142 -19.242  -0.374
  898   1HD1  LEU 109          1HD1      LEU 109   5.380 -18.325   0.399
  899   2HD1  LEU 109          3HD1      LEU 109   6.812 -18.241   1.425
  900   3HD1  LEU 109          2HD1      LEU 109   6.739 -17.300  -0.066
  901   1HD2  LEU 109          1HD2      LEU 109   5.725 -20.889   0.357
  902   2HD2  LEU 109          3HD2      LEU 109   7.294 -21.506  -0.158
  903   3HD2  LEU 109          2HD2      LEU 109   7.145 -20.644   1.373
  904    H    LYS 110           HN       LYS 110   7.731 -19.235  -4.705
  905    HA   LYS 110           HA       LYS 110   5.273 -19.441  -6.122
  906   1HB   LYS 110           HB2      LYS 110   7.544 -17.845  -6.299
  907   2HB   LYS 110           HB1      LYS 110   7.550 -18.767  -7.797
  908   1HG   LYS 110           HG2      LYS 110   6.383 -16.637  -8.047
  909   2HG   LYS 110           HG1      LYS 110   5.298 -18.005  -8.305
  910   1HD   LYS 110           HD2      LYS 110   4.435 -17.763  -6.038
  911   2HD   LYS 110           HD1      LYS 110   5.552 -16.430  -5.741
  912   1HE   LYS 110           HE2      LYS 110   3.385 -16.441  -7.841
  913   2HE   LYS 110           HE1      LYS 110   3.256 -15.677  -6.258
  914   1HZ   LYS 110           HZ1      LYS 110   5.198 -14.294  -6.870
  915   2HZ   LYS 110           HZ3      LYS 110   5.138 -14.952  -8.437
  916   3HZ   LYS 110           HZ2      LYS 110   3.839 -14.031  -7.850
  917    H    LYS 111           HN       LYS 111   8.508 -20.815  -6.830
  918    HA   LYS 111           HA       LYS 111   7.538 -22.367  -8.980
  919   1HB   LYS 111           HB2      LYS 111   9.728 -23.593  -8.806
  920   2HB   LYS 111           HB1      LYS 111   9.841 -21.858  -9.040
  921   1HG   LYS 111           HG2      LYS 111  10.452 -21.526  -6.748
  922   2HG   LYS 111           HG1      LYS 111  10.133 -23.222  -6.371
  923   1HD   LYS 111           HD2      LYS 111  11.960 -23.945  -7.736
  924   2HD   LYS 111           HD1      LYS 111  12.192 -22.322  -8.381
  925   1HE   LYS 111           HE2      LYS 111  12.471 -22.915  -5.450
  926   2HE   LYS 111           HE1      LYS 111  13.812 -23.138  -6.572
  927   1HZ   LYS 111           HZ3      LYS 111  12.337 -20.582  -6.264
  928   2HZ   LYS 111           HZ2      LYS 111  13.767 -20.939  -5.427
  929   3HZ   LYS 111           HZ1      LYS 111  13.776 -20.839  -7.122
  930    H    MET 112           HN       MET 112   7.638 -22.964  -5.541
  931    HA   MET 112           HA       MET 112   7.139 -25.777  -5.828
  932   1HB   MET 112           HB2      MET 112   6.928 -23.911  -3.476
  933   2HB   MET 112           HB1      MET 112   6.433 -25.598  -3.380
  934   1HG   MET 112           HG2      MET 112   8.735 -26.210  -4.161
  935   2HG   MET 112           HG1      MET 112   9.183 -24.517  -3.956
  936   1HE   MET 112           HE3      MET 112   8.704 -23.265  -1.509
  937   2HE   MET 112           HE2      MET 112   7.132 -24.045  -1.318
  938   3HE   MET 112           HE1      MET 112   8.340 -24.169  -0.038
  939    H    LYS 113           HN       LYS 113   5.176 -22.898  -5.669
  940    HA   LYS 113           HA       LYS 113   2.693 -24.270  -5.335
  941   1HB   LYS 113           HB2      LYS 113   3.298 -21.740  -5.019
  942   2HB   LYS 113           HB1      LYS 113   2.989 -21.622  -6.741
  943   1HG   LYS 113           HG2      LYS 113   0.967 -22.699  -4.795
  944   2HG   LYS 113           HG1      LYS 113   1.099 -20.989  -5.188
  945   1HD   LYS 113           HD2      LYS 113  -0.351 -21.421  -6.835
  946   2HD   LYS 113           HD1      LYS 113   1.000 -22.193  -7.665
  947   1HE   LYS 113           HE2      LYS 113  -0.981 -23.638  -7.597
  948   2HE   LYS 113           HE1      LYS 113   0.381 -24.349  -6.730
  949   1HZ   LYS 113           HZ3      LYS 113  -1.897 -22.902  -5.471
  950   2HZ   LYS 113           HZ2      LYS 113  -1.702 -24.588  -5.510
  951   3HZ   LYS 113           HZ1      LYS 113  -0.602 -23.632  -4.648
  952    H    LEU 114           HN       LEU 114   4.698 -23.320  -8.046
  953    HA   LEU 114           HA       LEU 114   2.659 -24.008  -9.958
  954   1HB   LEU 114           HB2      LEU 114   5.414 -22.857 -10.117
  955   2HB   LEU 114           HB1      LEU 114   4.712 -23.565 -11.555
  956    HG   LEU 114           HG       LEU 114   4.465 -21.104 -11.428
  957   1HD1  LEU 114          2HD1      LEU 114   2.917 -22.434 -12.762
  958   2HD1  LEU 114          1HD1      LEU 114   1.870 -22.641 -11.359
  959   3HD1  LEU 114          3HD1      LEU 114   2.104 -21.038 -12.055
  960   1HD2  LEU 114          3HD2      LEU 114   2.641 -21.691  -9.101
  961   2HD2  LEU 114          2HD2      LEU 114   4.187 -20.845  -9.028
  962   3HD2  LEU 114          1HD2      LEU 114   2.829 -20.128  -9.896
  963    H    MET 115           HN       MET 115   6.042 -25.085  -9.514
  964    HA   MET 115           HA       MET 115   5.433 -27.413 -11.159
  965   1HB   MET 115           HB2      MET 115   7.391 -26.151 -11.772
  966   2HB   MET 115           HB1      MET 115   8.042 -26.289 -10.147
  967   1HG   MET 115           HG2      MET 115   8.247 -28.713 -10.445
  968   2HG   MET 115           HG1      MET 115   7.622 -28.551 -12.086
  969   1HE   MET 115           HE2      MET 115   9.976 -25.970 -10.324
  970   2HE   MET 115           HE1      MET 115  10.534 -27.496  -9.638
  971   3HE   MET 115           HE3      MET 115  11.575 -26.589 -10.734
  972    H    GLU 116           HN       GLU 116   6.931 -26.725  -7.994
  973    HA   GLU 116           HA       GLU 116   7.390 -29.421  -7.345
  974   1HB   GLU 116           HB2      GLU 116   7.120 -27.040  -5.531
  975   2HB   GLU 116           HB1      GLU 116   7.732 -28.615  -5.041
  976   1HG   GLU 116           HG2      GLU 116   8.965 -26.844  -7.139
  977   2HG   GLU 116           HG1      GLU 116   9.522 -26.996  -5.475
  978    H    LEU 117           HN       LEU 117   4.545 -27.627  -7.384
  979    HA   LEU 117           HA       LEU 117   3.089 -28.930  -5.313
  980   1HB   LEU 117           HB2      LEU 117   2.646 -26.710  -6.655
  981   2HB   LEU 117           HB1      LEU 117   1.811 -27.773  -7.765
  982    HG   LEU 117           HG       LEU 117   0.319 -26.617  -6.153
  983   1HD1  LEU 117          1HD1      LEU 117   0.392 -29.620  -5.901
  984   2HD1  LEU 117          3HD1      LEU 117  -0.985 -28.586  -5.516
  985   3HD1  LEU 117          2HD1      LEU 117  -0.402 -28.696  -7.178
  986   1HD2  LEU 117          1HD2      LEU 117   1.815 -26.583  -4.238
  987   2HD2  LEU 117          3HD2      LEU 117   0.282 -27.354  -3.829
  988   3HD2  LEU 117          2HD2      LEU 117   1.717 -28.340  -4.114
  989    H    ALA 118           HN       ALA 118   2.950 -29.186  -8.824
  990    HA   ALA 118           HA       ALA 118   3.093 -31.948  -9.042
  991   1HB   ALA 118           HB2      ALA 118   0.783 -32.539  -9.615
  992   2HB   ALA 118           HB3      ALA 118   0.254 -30.909  -9.199
  993   3HB   ALA 118           HB1      ALA 118   0.891 -31.979  -7.948
  994    H    ILE 119           HN       ILE 119   3.529 -29.115 -10.156
  995    HA   ILE 119           HA       ILE 119   3.614 -27.931 -12.057
  996    HB   ILE 119           HB       ILE 119   3.274 -30.502 -13.592
  997   1HG1  ILE 119          2HG1      ILE 119   5.837 -29.353 -12.454
  998   2HG1  ILE 119          1HG1      ILE 119   5.001 -30.753 -11.794
  999   1HG2  ILE 119          3HG2      ILE 119   3.209 -28.425 -14.868
 1000   2HG2  ILE 119          2HG2      ILE 119   4.734 -27.921 -14.138
 1001   3HG2  ILE 119          1HG2      ILE 119   4.691 -29.317 -15.217
 1002   1HD1  ILE 119          1HD1      ILE 119   5.358 -31.949 -13.898
 1003   2HD1  ILE 119          3HD1      ILE 119   6.216 -30.547 -14.539
 1004   3HD1  ILE 119          2HD1      ILE 119   6.877 -31.431 -13.165
 1005    H    LEU 120           HN       LEU 120   1.384 -30.514 -13.097
 1006    HA   LEU 120           HA       LEU 120  -0.499 -28.511 -14.014
 1007   1HB   LEU 120           HB2      LEU 120  -0.528 -31.527 -14.115
 1008   2HB   LEU 120           HB1      LEU 120  -1.861 -30.541 -14.678
 1009    HG   LEU 120           HG       LEU 120  -0.648 -31.141 -16.604
 1010   1HD1  LEU 120          3HD1      LEU 120   0.204 -28.364 -15.800
 1011   2HD1  LEU 120          2HD1      LEU 120   0.203 -29.003 -17.443
 1012   3HD1  LEU 120          1HD1      LEU 120  -1.317 -28.812 -16.571
 1013   1HD2  LEU 120          3HD2      LEU 120   1.847 -30.300 -15.131
 1014   2HD2  LEU 120          2HD2      LEU 120   1.391 -31.937 -15.602
 1015   3HD2  LEU 120          1HD2      LEU 120   1.783 -30.743 -16.838
 1016    H    ASN 121           HN       ASN 121  -0.735 -27.688 -11.822
 1017    HA   ASN 121           HA       ASN 121  -2.108 -29.340  -9.885
 1018   1HB   ASN 121           HB2      ASN 121  -1.910 -27.450  -8.398
 1019   2HB   ASN 121           HB1      ASN 121  -0.374 -27.672  -9.228
 1020   1HD2  ASN 121          1HD2      ASN 121   0.276 -26.153 -10.783
 1021   2HD2  ASN 121          2HD2      ASN 121  -0.456 -24.587 -10.877
 1022    H    GLY 122           HN       GLY 122  -3.161 -27.924 -12.569
 1023   1HA   GLY 122           HA1      GLY 122  -5.719 -27.066 -11.368
 1024   2HA   GLY 122           HA2      GLY 122  -5.638 -28.059 -12.817
 1025    H    THR 123           HN       THR 123  -3.343 -25.513 -12.297
 1026    HA   THR 123           HA       THR 123  -4.614 -23.345 -13.461
 1027    HB   THR 123           HB       THR 123  -1.685 -24.040 -13.734
 1028    HG1  THR 123           HG1      THR 123  -2.926 -22.565 -11.629
 1029   1HG2  THR 123          1HG2      THR 123  -3.131 -21.383 -13.677
 1030   2HG2  THR 123          3HG2      THR 123  -1.380 -21.589 -13.698
 1031   3HG2  THR 123          2HG2      THR 123  -2.345 -22.115 -15.076
 1032    H    TYR 124           HN       TYR 124  -2.589 -25.814 -15.047
 1033    HA   TYR 124           HA       TYR 124  -3.616 -24.892 -17.637
 1034   1HB   TYR 124           HB2      TYR 124  -1.190 -26.565 -16.964
 1035   2HB   TYR 124           HB1      TYR 124  -1.726 -26.219 -18.608
 1036    HD1  TYR 124           HD1      TYR 124  -1.777 -23.813 -19.381
 1037    HD2  TYR 124           HD2      TYR 124   0.097 -25.008 -15.753
 1038    HE1  TYR 124           HE1      TYR 124  -0.486 -21.720 -19.365
 1039    HE2  TYR 124           HE2      TYR 124   1.390 -22.918 -15.728
 1040    HH   TYR 124           HH       TYR 124   2.195 -21.239 -17.344
 1041    H    ARG 125           HN       ARG 125  -2.937 -27.876 -15.846
 1042    HA   ARG 125           HA       ARG 125  -4.086 -29.812 -15.620
 1043   1HB   ARG 125           HB2      ARG 125  -6.139 -28.588 -15.423
 1044   2HB   ARG 125           HB1      ARG 125  -6.225 -28.338 -17.161
 1045   1HG   ARG 125           HG2      ARG 125  -7.803 -30.030 -16.546
 1046   2HG   ARG 125           HG1      ARG 125  -6.491 -30.788 -17.449
 1047   1HD   ARG 125           HD2      ARG 125  -6.907 -32.232 -15.647
 1048   2HD   ARG 125           HD1      ARG 125  -5.460 -31.335 -15.190
 1049    HE   ARG 125           HE       ARG 125  -8.139 -30.590 -14.206
 1050   1HH1  ARG 125          1HH1      ARG 125  -4.765 -31.343 -13.614
 1051   2HH1  ARG 125          2HH1      ARG 125  -4.873 -31.061 -11.898
 1052   1HH2  ARG 125          1HH2      ARG 125  -8.287 -30.204 -11.968
 1053   2HH2  ARG 125          2HH2      ARG 125  -6.877 -30.397 -10.956
 1054    H    ASP 126           HN       ASP 126  -4.434 -28.565 -18.941
 1055    HA   ASP 126           HA       ASP 126  -4.987 -30.964 -20.201
 1056   1HB   ASP 126           HB2      ASP 126  -5.336 -28.917 -21.364
 1057   2HB   ASP 126           HB1      ASP 126  -3.635 -28.478 -21.243
 1058    H    ALA 127           HN       ALA 127  -1.794 -29.659 -19.406
 1059    HA   ALA 127           HA       ALA 127  -0.312 -31.444 -21.011
 1060   1HB   ALA 127           HB1      ALA 127   0.557 -30.106 -18.458
 1061   2HB   ALA 127           HB3      ALA 127   1.611 -30.796 -19.695
 1062   3HB   ALA 127           HB2      ALA 127   0.622 -29.382 -20.066
 1063    H    ASN 128           HN       ASN 128  -2.271 -32.137 -18.454
 1064    HA   ASN 128           HA       ASN 128  -1.022 -34.213 -17.079
 1065   1HB   ASN 128           HB2      ASN 128  -3.201 -33.374 -16.419
 1066   2HB   ASN 128           HB1      ASN 128  -3.907 -33.880 -17.953
 1067   1HD2  ASN 128          1HD2      ASN 128  -5.444 -35.176 -17.000
 1068   2HD2  ASN 128          2HD2      ASN 128  -5.051 -36.666 -16.206
 1069    H    LEU 129           HN       LEU 129  -2.758 -34.199 -20.159
 1070    HA   LEU 129           HA       LEU 129  -2.209 -36.992 -20.655
 1071   1HB   LEU 129           HB2      LEU 129  -3.337 -34.845 -22.461
 1072   2HB   LEU 129           HB1      LEU 129  -3.249 -36.550 -22.858
 1073    HG   LEU 129           HG       LEU 129  -4.899 -35.324 -20.651
 1074   1HD1  LEU 129          2HD1      LEU 129  -5.694 -36.577 -23.272
 1075   2HD1  LEU 129          1HD1      LEU 129  -6.804 -36.046 -22.010
 1076   3HD1  LEU 129          3HD1      LEU 129  -5.799 -34.869 -22.854
 1077   1HD2  LEU 129          3HD2      LEU 129  -4.079 -37.537 -20.031
 1078   2HD2  LEU 129          2HD2      LEU 129  -5.815 -37.570 -20.347
 1079   3HD2  LEU 129          1HD2      LEU 129  -4.686 -38.194 -21.550
 1080    H    LYS 130           HN       LYS 130  -0.230 -37.600 -21.172
 1081    HA   LYS 130           HA       LYS 130   1.766 -35.749 -21.936
 1082   1HB   LYS 130           HB2      LYS 130   2.201 -37.771 -20.576
 1083   2HB   LYS 130           HB1      LYS 130   1.871 -38.764 -21.990
 1084   1HG   LYS 130           HG2      LYS 130   3.764 -37.657 -23.146
 1085   2HG   LYS 130           HG1      LYS 130   4.123 -36.796 -21.648
 1086   1HD   LYS 130           HD2      LYS 130   5.547 -38.752 -21.852
 1087   2HD   LYS 130           HD1      LYS 130   4.427 -38.951 -20.501
 1088   1HE   LYS 130           HE2      LYS 130   2.955 -40.289 -21.956
 1089   2HE   LYS 130           HE1      LYS 130   4.132 -40.136 -23.259
 1090   1HZ   LYS 130           HZ2      LYS 130   4.631 -41.424 -20.631
 1091   2HZ   LYS 130           HZ1      LYS 130   4.341 -42.239 -22.090
 1092   3HZ   LYS 130           HZ3      LYS 130   5.744 -41.303 -21.905
 1093    H    SER 131           HN       SER 131   2.265 -35.030 -23.877
 1094    HA   SER 131           HA       SER 131   1.368 -36.500 -26.238
 1095   1HB   SER 131           HB2      SER 131   2.613 -33.742 -26.095
 1096   2HB   SER 131           HB1      SER 131   1.752 -34.453 -27.462
 1097    HG   SER 131           HG       SER 131   0.294 -34.445 -25.140
 1098    HA   PRO 132           HA       PRO 132   5.338 -38.501 -26.241
 1099   1HB   PRO 132           HB2      PRO 132   4.651 -38.793 -29.128
 1100   2HB   PRO 132           HB1      PRO 132   5.201 -40.011 -27.973
 1101   1HG   PRO 132           HG2      PRO 132   2.643 -39.889 -28.684
 1102   2HG   PRO 132           HG1      PRO 132   3.102 -40.234 -27.005
 1103   1HD   PRO 132           HD2      PRO 132   2.028 -37.725 -28.201
 1104   2HD   PRO 132           HD1      PRO 132   1.760 -38.413 -26.588
 1105    H    ALA 133           HN       ALA 133   4.569 -36.468 -29.079
 1106    HA   ALA 133           HA       ALA 133   7.371 -35.534 -29.023
 1107   1HB   ALA 133           HB3      ALA 133   6.779 -36.757 -31.058
 1108   2HB   ALA 133           HB2      ALA 133   5.459 -35.627 -31.354
 1109   3HB   ALA 133           HB1      ALA 133   7.129 -35.065 -31.405
 1110    H    LEU 134           HN       LEU 134   4.788 -34.584 -27.674
 1111    HA   LEU 134           HA       LEU 134   3.741 -32.657 -27.106
 1112   1HB   LEU 134           HB2      LEU 134   6.298 -31.456 -28.167
 1113   2HB   LEU 134           HB1      LEU 134   5.072 -30.551 -27.301
 1114    HG   LEU 134           HG       LEU 134   6.674 -32.852 -26.182
 1115   1HD1  LEU 134          2HD1      LEU 134   6.810 -29.886 -25.662
 1116   2HD1  LEU 134          1HD1      LEU 134   7.701 -31.123 -24.774
 1117   3HD1  LEU 134          3HD1      LEU 134   8.024 -30.864 -26.488
 1118   1HD2  LEU 134          2HD2      LEU 134   4.631 -31.052 -24.880
 1119   2HD2  LEU 134          1HD2      LEU 134   4.443 -32.772 -25.220
 1120   3HD2  LEU 134          3HD2      LEU 134   5.639 -32.231 -24.042

  No H/Q in entry =        1120
  Start of MODEL    3
    1    H1   GLN   1           HT2      GLN   1 -11.708  14.511 -11.613
    2    H2   GLN   1           HT1      GLN   1 -12.117  15.857 -10.667
    3    H3   GLN   1           HT3      GLN   1 -10.886  15.980 -11.828
    4    HA   GLN   1           HA       GLN   1  -9.915  15.836  -9.661
    5   1HB   GLN   1           HB2      GLN   1 -10.349  14.059  -8.161
    6   2HB   GLN   1           HB1      GLN   1 -11.929  14.570  -8.736
    7   1HG   GLN   1           HG2      GLN   1 -11.532  12.666 -10.496
    8   2HG   GLN   1           HG1      GLN   1 -10.421  12.084  -9.271
    9   1HE2  GLN   1          1HE2      GLN   1 -11.194  11.348  -7.337
   10   2HE2  GLN   1          2HE2      GLN   1 -12.855  10.974  -7.082
   11    H    LEU   2           HN       LEU   2  -8.068  14.404  -9.134
   12    HA   LEU   2           HA       LEU   2  -7.238  12.819 -11.461
   13   1HB   LEU   2           HB2      LEU   2  -5.625  14.421 -11.473
   14   2HB   LEU   2           HB1      LEU   2  -5.894  14.850  -9.796
   15    HG   LEU   2           HG       LEU   2  -4.653  12.755  -9.177
   16   1HD1  LEU   2          1HD1      LEU   2  -4.823  11.587 -11.312
   17   2HD1  LEU   2          3HD1      LEU   2  -3.860  12.843 -12.088
   18   3HD1  LEU   2          2HD1      LEU   2  -3.135  11.811 -10.853
   19   1HD2  LEU   2          2HD2      LEU   2  -3.192  14.913 -10.690
   20   2HD2  LEU   2          1HD2      LEU   2  -3.654  14.950  -8.988
   21   3HD2  LEU   2          3HD2      LEU   2  -2.452  13.790  -9.549
   22    H    GLN   3           HN       GLN   3  -6.715  10.730 -11.083
   23    HA   GLN   3           HA       GLN   3  -6.488   9.875  -8.270
   24   1HB   GLN   3           HB2      GLN   3  -7.470   8.007 -10.391
   25   2HB   GLN   3           HB1      GLN   3  -7.697   7.929  -8.654
   26   1HG   GLN   3           HG2      GLN   3  -9.167  10.019  -8.978
   27   2HG   GLN   3           HG1      GLN   3  -9.182   9.547 -10.680
   28   1HE2  GLN   3          1HE2      GLN   3  -8.923   6.688  -9.863
   29   2HE2  GLN   3          2HE2      GLN   3 -10.490   6.220  -9.315
   30    H    GLU   4           HN       GLU   4  -4.669   8.752  -7.800
   31    HA   GLU   4           HA       GLU   4  -3.295   7.437 -10.056
   32   1HB   GLU   4           HB2      GLU   4  -1.913   8.171  -7.491
   33   2HB   GLU   4           HB1      GLU   4  -1.201   7.785  -9.051
   34   1HG   GLU   4           HG2      GLU   4  -2.649   9.976  -9.682
   35   2HG   GLU   4           HG1      GLU   4  -2.223  10.309  -8.001
   36    H    LYS   5           HN       LYS   5  -2.923   5.271  -9.850
   37    HA   LYS   5           HA       LYS   5  -3.896   4.091  -7.338
   38   1HB   LYS   5           HB2      LYS   5  -4.035   2.600  -9.935
   39   2HB   LYS   5           HB1      LYS   5  -4.922   2.319  -8.459
   40   1HG   LYS   5           HG2      LYS   5  -6.530   3.159  -9.887
   41   2HG   LYS   5           HG1      LYS   5  -6.061   4.550  -8.903
   42   1HD   LYS   5           HD2      LYS   5  -4.642   5.371 -10.689
   43   2HD   LYS   5           HD1      LYS   5  -5.007   3.949 -11.672
   44   1HE   LYS   5           HE2      LYS   5  -7.384   4.631 -11.671
   45   2HE   LYS   5           HE1      LYS   5  -6.939   6.084 -10.775
   46   1HZ   LYS   5           HZ3      LYS   5  -5.365   6.530 -12.709
   47   2HZ   LYS   5           HZ2      LYS   5  -6.245   5.349 -13.555
   48   3HZ   LYS   5           HZ1      LYS   5  -7.026   6.748 -12.995
   49    H    LEU   6           HN       LEU   6  -2.348   3.198  -6.268
   50    HA   LEU   6           HA       LEU   6   0.004   2.207  -7.706
   51   1HB   LEU   6           HB2      LEU   6  -0.290   2.726  -4.746
   52   2HB   LEU   6           HB1      LEU   6   1.200   2.514  -5.653
   53    HG   LEU   6           HG       LEU   6  -0.699   4.824  -6.078
   54   1HD1  LEU   6          2HD1      LEU   6   0.243   4.870  -3.809
   55   2HD1  LEU   6          1HD1      LEU   6   1.867   4.791  -4.493
   56   3HD1  LEU   6          3HD1      LEU   6   0.838   6.193  -4.811
   57   1HD2  LEU   6          2HD2      LEU   6   0.723   4.281  -7.990
   58   2HD2  LEU   6          1HD2      LEU   6   1.180   5.822  -7.266
   59   3HD2  LEU   6          3HD2      LEU   6   2.152   4.381  -6.960
   60    H    TYR   7           HN       TYR   7  -0.546   0.208  -8.313
   61    HA   TYR   7           HA       TYR   7  -2.286  -1.452  -6.814
   62   1HB   TYR   7           HB2      TYR   7  -0.811  -1.654  -9.366
   63   2HB   TYR   7           HB1      TYR   7  -1.199  -3.181  -8.571
   64    HD1  TYR   7           HD1      TYR   7  -3.463  -3.975  -8.459
   65    HD2  TYR   7           HD2      TYR   7  -2.589  -0.147 -10.100
   66    HE1  TYR   7           HE1      TYR   7  -5.745  -3.854  -9.373
   67    HE2  TYR   7           HE2      TYR   7  -4.868  -0.016 -11.014
   68    HH   TYR   7           HH       TYR   7  -7.330  -2.349 -10.193
   69    H    VAL   8           HN       VAL   8  -1.937  -3.154  -5.575
   70    HA   VAL   8           HA       VAL   8   0.790  -4.131  -5.211
   71    HB   VAL   8           HB       VAL   8   0.315  -2.419  -3.472
   72   1HG1  VAL   8          2HG1      VAL   8  -1.837  -4.337  -2.588
   73   2HG1  VAL   8          1HG1      VAL   8  -1.267  -2.939  -1.668
   74   3HG1  VAL   8          3HG1      VAL   8  -2.072  -2.703  -3.225
   75   1HG2  VAL   8          3HG2      VAL   8   0.637  -5.245  -2.517
   76   2HG2  VAL   8          2HG2      VAL   8   1.913  -4.159  -3.067
   77   3HG2  VAL   8          1HG2      VAL   8   1.030  -3.801  -1.582
   78    HA   PRO   9           HA       PRO   9  -1.838  -7.432  -6.285
   79   1HB   PRO   9           HB2      PRO   9   0.026  -9.370  -6.578
   80   2HB   PRO   9           HB1      PRO   9  -0.169  -8.039  -7.728
   81   1HG   PRO   9           HG2      PRO   9   1.824  -8.372  -5.526
   82   2HG   PRO   9           HG1      PRO   9   2.062  -7.748  -7.171
   83   1HD   PRO   9           HD2      PRO   9   1.796  -6.128  -4.980
   84   2HD   PRO   9           HD1      PRO   9   1.322  -5.638  -6.618
   85    H    VAL  10           HN       VAL  10  -3.015  -7.655  -4.381
   86    HA   VAL  10           HA       VAL  10  -2.144  -9.123  -2.133
   87    HB   VAL  10           HB       VAL  10  -4.177  -7.646  -2.235
   88   1HG1  VAL  10          3HG1      VAL  10  -5.149  -8.471  -4.300
   89   2HG1  VAL  10          2HG1      VAL  10  -5.435 -10.042  -3.551
   90   3HG1  VAL  10          1HG1      VAL  10  -6.293  -8.617  -2.966
   91   1HG2  VAL  10          1HG2      VAL  10  -3.738  -9.099  -0.338
   92   2HG2  VAL  10          3HG2      VAL  10  -5.470  -8.992  -0.654
   93   3HG2  VAL  10          2HG2      VAL  10  -4.569 -10.427  -1.148
   94    H    LYS  11           HN       LYS  11  -3.297  -9.972  -5.252
   95    HA   LYS  11           HA       LYS  11  -3.854 -12.710  -4.836
   96   1HB   LYS  11           HB2      LYS  11  -3.351 -12.903  -7.319
   97   2HB   LYS  11           HB1      LYS  11  -4.611 -11.759  -6.877
   98   1HG   LYS  11           HG2      LYS  11  -3.196  -9.908  -7.267
   99   2HG   LYS  11           HG1      LYS  11  -1.762 -10.936  -7.368
  100   1HD   LYS  11           HD2      LYS  11  -2.478 -10.223  -9.585
  101   2HD   LYS  11           HD1      LYS  11  -2.652 -11.969  -9.396
  102   1HE   LYS  11           HE2      LYS  11  -4.597 -11.142 -10.508
  103   2HE   LYS  11           HE1      LYS  11  -5.055 -11.609  -8.872
  104   1HZ   LYS  11           HZ1      LYS  11  -4.859  -9.231  -8.245
  105   2HZ   LYS  11           HZ3      LYS  11  -4.593  -8.852  -9.880
  106   3HZ   LYS  11           HZ2      LYS  11  -6.067  -9.533  -9.394
  107    H    GLU  12           HN       GLU  12  -0.923 -10.892  -5.226
  108    HA   GLU  12           HA       GLU  12   0.760 -13.171  -5.690
  109   1HB   GLU  12           HB2      GLU  12   1.220 -10.256  -5.232
  110   2HB   GLU  12           HB1      GLU  12   2.561 -11.392  -5.097
  111   1HG   GLU  12           HG2      GLU  12   0.816 -10.988  -7.513
  112   2HG   GLU  12           HG1      GLU  12   2.480 -10.439  -7.317
  113    H    TYR  13           HN       TYR  13  -0.282 -11.272  -2.961
  114    HA   TYR  13           HA       TYR  13   1.346 -12.988  -1.203
  115   1HB   TYR  13           HB2      TYR  13   0.449 -10.162  -0.602
  116   2HB   TYR  13           HB1      TYR  13   1.559 -11.150   0.342
  117    HD1  TYR  13           HD1      TYR  13   3.879 -11.332  -0.275
  118    HD2  TYR  13           HD2      TYR  13   1.153  -9.200  -2.744
  119    HE1  TYR  13           HE1      TYR  13   5.768 -10.359  -1.514
  120    HE2  TYR  13           HE2      TYR  13   3.022  -8.237  -3.999
  121    HH   TYR  13           HH       TYR  13   6.196  -9.399  -3.770
  122    HA   PRO  14           HA       PRO  14  -3.119 -13.801  -0.365
  123   1HB   PRO  14           HB2      PRO  14  -2.144 -16.491   0.282
  124   2HB   PRO  14           HB1      PRO  14  -3.362 -15.996  -0.898
  125   1HG   PRO  14           HG2      PRO  14  -0.945 -16.930  -1.642
  126   2HG   PRO  14           HG1      PRO  14  -1.809 -15.693  -2.573
  127   1HD   PRO  14           HD2      PRO  14   0.456 -15.371  -0.636
  128   2HD   PRO  14           HD1      PRO  14   0.192 -14.576  -2.203
  129    H    ASP  15           HN       ASP  15  -0.235 -14.037   1.434
  130    HA   ASP  15           HA       ASP  15  -1.667 -14.603   3.931
  131   1HB   ASP  15           HB2      ASP  15   0.250 -16.043   3.447
  132   2HB   ASP  15           HB1      ASP  15   1.294 -14.634   3.310
  133    H    PHE  16           HN       PHE  16  -0.413 -12.029   2.148
  134    HA   PHE  16           HA       PHE  16  -0.076 -10.393   4.574
  135   1HB   PHE  16           HB2      PHE  16   1.822 -10.574   2.828
  136   2HB   PHE  16           HB1      PHE  16   0.799  -9.540   1.829
  137    HD1  PHE  16           HD1      PHE  16   2.713  -9.731   4.963
  138    HD2  PHE  16           HD2      PHE  16   0.538  -7.224   2.308
  139    HE1  PHE  16           HE1      PHE  16   3.577  -7.750   6.136
  140    HE2  PHE  16           HE2      PHE  16   1.406  -5.238   3.464
  141    HZ   PHE  16           HZ       PHE  16   2.923  -5.495   5.386
  142    H    ASN  17           HN       ASN  17  -1.919  -9.438   5.073
  143    HA   ASN  17           HA       ASN  17  -3.765  -8.672   2.979
  144   1HB   ASN  17           HB2      ASN  17  -5.141  -7.832   4.985
  145   2HB   ASN  17           HB1      ASN  17  -4.950  -9.561   4.770
  146   1HD2  ASN  17          1HD2      ASN  17  -2.561  -7.322   6.153
  147   2HD2  ASN  17          2HD2      ASN  17  -2.567  -8.040   7.732
  148    H    PHE  18           HN       PHE  18  -3.182  -6.908   1.880
  149    HA   PHE  18           HA       PHE  18  -1.672  -4.810   2.983
  150   1HB   PHE  18           HB2      PHE  18  -3.363  -4.861   0.486
  151   2HB   PHE  18           HB1      PHE  18  -2.239  -3.563   0.921
  152    HD1  PHE  18           HD1      PHE  18   0.123  -4.480   1.661
  153    HD2  PHE  18           HD2      PHE  18  -2.543  -6.458  -0.996
  154    HE1  PHE  18           HE1      PHE  18   2.007  -5.699   0.701
  155    HE2  PHE  18           HE2      PHE  18  -0.643  -7.702  -1.984
  156    HZ   PHE  18           HZ       PHE  18   1.630  -7.299  -1.129
  157    H    VAL  19           HN       VAL  19  -5.151  -5.192   2.560
  158    HA   VAL  19           HA       VAL  19  -5.911  -2.703   3.610
  159    HB   VAL  19           HB       VAL  19  -7.321  -5.372   3.675
  160   1HG1  VAL  19          2HG1      VAL  19  -8.128  -3.964   5.504
  161   2HG1  VAL  19          1HG1      VAL  19  -8.424  -2.651   4.365
  162   3HG1  VAL  19          3HG1      VAL  19  -9.351  -4.147   4.247
  163   1HG2  VAL  19          3HG2      VAL  19  -6.946  -4.439   1.452
  164   2HG2  VAL  19          2HG2      VAL  19  -8.659  -4.405   1.872
  165   3HG2  VAL  19          1HG2      VAL  19  -7.702  -2.925   1.950
  166    H    GLY  20           HN       GLY  20  -5.478  -5.857   5.237
  167   1HA   GLY  20           HA1      GLY  20  -5.036  -6.353   7.439
  168   2HA   GLY  20           HA2      GLY  20  -5.875  -4.869   7.858
  169    H    ARG  21           HN       ARG  21  -3.309  -4.429   5.716
  170    HA   ARG  21           HA       ARG  21  -1.325  -3.929   7.788
  171   1HB   ARG  21           HB2      ARG  21  -0.150  -4.910   6.118
  172   2HB   ARG  21           HB1      ARG  21  -1.323  -4.471   4.893
  173   1HG   ARG  21           HG2      ARG  21   0.524  -3.314   4.195
  174   2HG   ARG  21           HG1      ARG  21  -0.295  -2.089   5.160
  175   1HD   ARG  21           HD2      ARG  21   2.014  -3.812   6.038
  176   2HD   ARG  21           HD1      ARG  21   2.081  -2.110   5.625
  177    HE   ARG  21           HE       ARG  21   0.510  -1.789   7.568
  178   1HH1  ARG  21          1HH1      ARG  21   2.801  -4.420   7.437
  179   2HH1  ARG  21          2HH1      ARG  21   2.914  -4.586   9.162
  180   1HH2  ARG  21          1HH2      ARG  21   0.646  -1.988   9.828
  181   2HH2  ARG  21          2HH2      ARG  21   1.648  -3.219  10.531
  182    H    ILE  22           HN       ILE  22  -3.150  -2.205   5.286
  183    HA   ILE  22           HA       ILE  22  -1.778   0.288   5.936
  184    HB   ILE  22           HB       ILE  22  -3.820  -0.431   3.825
  185   1HG1  ILE  22          2HG1      ILE  22  -1.643  -1.416   3.402
  186   2HG1  ILE  22          1HG1      ILE  22  -1.935  -0.113   2.256
  187   1HG2  ILE  22          2HG2      ILE  22  -4.090   1.889   4.461
  188   2HG2  ILE  22          1HG2      ILE  22  -2.370   2.176   4.194
  189   3HG2  ILE  22          3HG2      ILE  22  -3.415   1.746   2.839
  190   1HD1  ILE  22          3HD1      ILE  22  -0.531   1.366   3.638
  191   2HD1  ILE  22          2HD1      ILE  22  -0.187   0.001   4.699
  192   3HD1  ILE  22          1HD1      ILE  22   0.340  -0.038   3.017
  193    H    LEU  23           HN       LEU  23  -4.935  -1.193   6.001
  194    HA   LEU  23           HA       LEU  23  -6.152   1.170   7.219
  195   1HB   LEU  23           HB2      LEU  23  -7.423  -1.353   6.151
  196   2HB   LEU  23           HB1      LEU  23  -8.281   0.058   6.722
  197    HG   LEU  23           HG       LEU  23  -7.412   1.351   4.794
  198   1HD1  LEU  23          1HD1      LEU  23  -6.290  -1.300   3.887
  199   2HD1  LEU  23          3HD1      LEU  23  -6.347   0.185   2.935
  200   3HD1  LEU  23          2HD1      LEU  23  -5.338   0.101   4.381
  201   1HD2  LEU  23          2HD2      LEU  23  -8.761  -1.245   4.146
  202   2HD2  LEU  23          1HD2      LEU  23  -9.554   0.243   4.669
  203   3HD2  LEU  23          3HD2      LEU  23  -8.739   0.178   3.104
  204    H    GLY  24           HN       GLY  24  -5.387  -2.183   7.728
  205   1HA   GLY  24           HA1      GLY  24  -5.398  -3.508   9.609
  206   2HA   GLY  24           HA2      GLY  24  -7.106  -3.129   9.553
  207    HA   PRO  25           HA       PRO  25  -5.389  -1.388  13.486
  208   1HB   PRO  25           HB2      PRO  25  -2.752  -1.136  13.912
  209   2HB   PRO  25           HB1      PRO  25  -3.546  -2.713  13.873
  210   1HG   PRO  25           HG2      PRO  25  -1.800  -1.423  11.854
  211   2HG   PRO  25           HG1      PRO  25  -2.039  -3.142  12.203
  212   1HD   PRO  25           HD2      PRO  25  -3.227  -1.634  10.113
  213   2HD   PRO  25           HD1      PRO  25  -3.604  -3.303  10.577
  214    H    ARG  26           HN       ARG  26  -3.449   0.154  10.935
  215    HA   ARG  26           HA       ARG  26  -3.782   2.707  12.351
  216   1HB   ARG  26           HB2      ARG  26  -1.436   1.764  10.705
  217   2HB   ARG  26           HB1      ARG  26  -1.634   3.414  11.278
  218   1HG   ARG  26           HG2      ARG  26  -1.801   2.386  13.617
  219   2HG   ARG  26           HG1      ARG  26  -1.153   0.922  12.874
  220   1HD   ARG  26           HD2      ARG  26   0.152   3.639  12.790
  221   2HD   ARG  26           HD1      ARG  26   0.589   2.342  13.900
  222    HE   ARG  26           HE       ARG  26   1.332   1.062  11.968
  223   1HH1  ARG  26          1HH1      ARG  26   0.763   4.476  11.465
  224   2HH1  ARG  26          2HH1      ARG  26   1.853   4.597  10.116
  225   1HH2  ARG  26          1HH2      ARG  26   2.787   1.212  10.217
  226   2HH2  ARG  26          2HH2      ARG  26   3.032   2.745   9.428
  227    H    GLY  27           HN       GLY  27  -5.597   1.615  10.398
  228   1HA   GLY  27           HA1      GLY  27  -6.900   2.446   8.692
  229   2HA   GLY  27           HA2      GLY  27  -5.378   2.752   7.857
  230    H    LEU  28           HN       LEU  28  -5.720   4.286  10.851
  231    HA   LEU  28           HA       LEU  28  -6.995   6.669  10.318
  232   1HB   LEU  28           HB2      LEU  28  -4.581   6.081  12.025
  233   2HB   LEU  28           HB1      LEU  28  -5.333   7.660  11.973
  234    HG   LEU  28           HG       LEU  28  -6.116   6.574  13.928
  235   1HD1  LEU  28          3HD1      LEU  28  -8.235   6.427  11.797
  236   2HD1  LEU  28          2HD1      LEU  28  -8.531   6.429  13.536
  237   3HD1  LEU  28          1HD1      LEU  28  -7.803   7.836  12.762
  238   1HD2  LEU  28          1HD2      LEU  28  -5.545   4.261  13.214
  239   2HD2  LEU  28          3HD2      LEU  28  -7.112   4.403  14.011
  240   3HD2  LEU  28          2HD2      LEU  28  -7.029   4.237  12.258
  241    H    THR  29           HN       THR  29  -3.890   5.507   9.230
  242    HA   THR  29           HA       THR  29  -2.711   7.950   8.551
  243    HB   THR  29           HB       THR  29  -1.490   5.774   8.609
  244    HG1  THR  29           HG1      THR  29  -0.797   6.498   6.102
  245   1HG2  THR  29          3HG2      THR  29  -3.131   4.410   7.361
  246   2HG2  THR  29          2HG2      THR  29  -2.739   5.312   5.896
  247   3HG2  THR  29          1HG2      THR  29  -1.510   4.309   6.668
  248    H    ALA  30           HN       ALA  30  -4.855   5.843   6.667
  249    HA   ALA  30           HA       ALA  30  -4.757   7.414   4.302
  250   1HB   ALA  30           HB2      ALA  30  -6.915   5.515   5.228
  251   2HB   ALA  30           HB3      ALA  30  -5.482   5.068   4.301
  252   3HB   ALA  30           HB1      ALA  30  -6.700   6.126   3.586
  253    H    LYS  31           HN       LYS  31  -6.818   7.337   7.126
  254    HA   LYS  31           HA       LYS  31  -8.767   9.188   6.305
  255   1HB   LYS  31           HB2      LYS  31  -7.704   8.517   9.042
  256   2HB   LYS  31           HB1      LYS  31  -9.168   9.452   8.745
  257   1HG   LYS  31           HG2      LYS  31 -10.122   7.504   7.556
  258   2HG   LYS  31           HG1      LYS  31  -8.684   6.578   7.988
  259   1HD   LYS  31           HD2      LYS  31  -9.180   6.835  10.338
  260   2HD   LYS  31           HD1      LYS  31 -10.550   7.883   9.965
  261   1HE   LYS  31           HE2      LYS  31 -10.277   4.977   9.196
  262   2HE   LYS  31           HE1      LYS  31 -11.285   5.611  10.495
  263   1HZ   LYS  31           HZ2      LYS  31 -12.522   6.888   8.810
  264   2HZ   LYS  31           HZ1      LYS  31 -11.603   6.155   7.589
  265   3HZ   LYS  31           HZ3      LYS  31 -12.625   5.211   8.562
  266    H    GLN  32           HN       GLN  32  -5.626   9.576   7.846
  267    HA   GLN  32           HA       GLN  32  -5.952  12.351   8.392
  268   1HB   GLN  32           HB2      GLN  32  -3.432  10.695   8.200
  269   2HB   GLN  32           HB1      GLN  32  -3.500  12.354   8.782
  270   1HG   GLN  32           HG2      GLN  32  -4.679   9.896  10.032
  271   2HG   GLN  32           HG1      GLN  32  -3.439  10.965  10.684
  272   1HE2  GLN  32          1HE2      GLN  32  -6.819  10.518  10.091
  273   2HE2  GLN  32          2HE2      GLN  32  -7.390  11.813  11.087
  274    H    LEU  33           HN       LEU  33  -4.804  10.517   5.650
  275    HA   LEU  33           HA       LEU  33  -3.459  12.673   4.384
  276   1HB   LEU  33           HB2      LEU  33  -4.733  10.354   2.944
  277   2HB   LEU  33           HB1      LEU  33  -3.365  11.321   2.429
  278    HG   LEU  33           HG       LEU  33  -3.463   9.163   4.508
  279   1HD1  LEU  33          3HD1      LEU  33  -2.977   8.539   2.203
  280   2HD1  LEU  33          2HD1      LEU  33  -1.623   9.668   2.186
  281   3HD1  LEU  33          1HD1      LEU  33  -1.591   8.274   3.263
  282   1HD2  LEU  33          2HD2      LEU  33  -1.339  11.281   4.233
  283   2HD2  LEU  33          1HD2      LEU  33  -2.353  10.953   5.642
  284   3HD2  LEU  33          3HD2      LEU  33  -1.146   9.773   5.128
  285    H    GLU  34           HN       GLU  34  -6.776  11.414   4.114
  286    HA   GLU  34           HA       GLU  34  -7.479  13.302   2.094
  287   1HB   GLU  34           HB2      GLU  34  -9.857  12.692   2.716
  288   2HB   GLU  34           HB1      GLU  34  -8.829  11.376   2.174
  289   1HG   GLU  34           HG2      GLU  34  -8.494  10.692   4.501
  290   2HG   GLU  34           HG1      GLU  34  -9.539  12.010   5.031
  291    H    ALA  35           HN       ALA  35  -7.628  13.250   5.572
  292    HA   ALA  35           HA       ALA  35  -9.085  15.632   5.919
  293   1HB   ALA  35           HB1      ALA  35  -8.259  15.596   8.208
  294   2HB   ALA  35           HB2      ALA  35  -7.062  14.377   7.764
  295   3HB   ALA  35           HB3      ALA  35  -8.782  13.990   7.698
  296    H    GLU  36           HN       GLU  36  -5.607  15.014   5.625
  297    HA   GLU  36           HA       GLU  36  -5.012  17.820   6.148
  298   1HB   GLU  36           HB2      GLU  36  -3.210  15.430   5.743
  299   2HB   GLU  36           HB1      GLU  36  -2.638  17.057   6.080
  300   1HG   GLU  36           HG2      GLU  36  -4.406  15.429   7.894
  301   2HG   GLU  36           HG1      GLU  36  -2.662  15.627   8.068
  302    H    THR  37           HN       THR  37  -4.401  15.442   3.540
  303    HA   THR  37           HA       THR  37  -2.985  17.426   2.018
  304    HB   THR  37           HB       THR  37  -2.530  15.730   0.394
  305    HG1  THR  37           HG1      THR  37  -4.401  14.049   1.737
  306   1HG2  THR  37          1HG2      THR  37  -1.273  15.532   2.486
  307   2HG2  THR  37          3HG2      THR  37  -2.524  14.476   3.140
  308   3HG2  THR  37          2HG2      THR  37  -1.556  13.948   1.763
  309    H    GLY  38           HN       GLY  38  -6.220  16.435   2.306
  310   1HA   GLY  38           HA1      GLY  38  -7.035  18.054   0.034
  311   2HA   GLY  38           HA2      GLY  38  -8.099  17.276   1.206
  312    H    CYS  39           HN       CYS  39  -5.813  15.105   0.234
  313    HA   CYS  39           HA       CYS  39  -7.377  14.096  -2.019
  314   1HB   CYS  39           HB2      CYS  39  -4.966  14.256  -2.367
  315   2HB   CYS  39           HB1      CYS  39  -4.670  13.281  -0.929
  316    HG   CYS  39           HG       CYS  39  -6.643  11.754  -3.117
  317    H    LYS  40           HN       LYS  40  -8.921  12.670  -1.576
  318    HA   LYS  40           HA       LYS  40  -8.727  11.135   0.860
  319   1HB   LYS  40           HB2      LYS  40 -10.943  10.274   0.319
  320   2HB   LYS  40           HB1      LYS  40 -10.927  12.025   0.243
  321   1HG   LYS  40           HG2      LYS  40 -11.038  12.010  -2.116
  322   2HG   LYS  40           HG1      LYS  40 -10.679  10.283  -2.192
  323   1HD   LYS  40           HD2      LYS  40 -13.138  11.382  -0.841
  324   2HD   LYS  40           HD1      LYS  40 -13.098  10.962  -2.549
  325   1HE   LYS  40           HE2      LYS  40 -14.024   9.096  -1.387
  326   2HE   LYS  40           HE1      LYS  40 -12.397   8.648  -1.887
  327   1HZ   LYS  40           HZ2      LYS  40 -12.939   9.708   0.829
  328   2HZ   LYS  40           HZ1      LYS  40 -13.114   8.062   0.463
  329   3HZ   LYS  40           HZ3      LYS  40 -11.607   8.806   0.292
  330    H    ILE  41           HN       ILE  41  -7.117   9.737   0.659
  331    HA   ILE  41           HA       ILE  41  -6.739   8.242  -1.763
  332    HB   ILE  41           HB       ILE  41  -4.755   8.789  -0.578
  333   1HG1  ILE  41          2HG1      ILE  41  -5.367   5.862  -0.120
  334   2HG1  ILE  41          1HG1      ILE  41  -4.720   6.573  -1.596
  335   1HG2  ILE  41          3HG2      ILE  41  -5.717   9.164   1.632
  336   2HG2  ILE  41          2HG2      ILE  41  -5.938   7.427   1.844
  337   3HG2  ILE  41          1HG2      ILE  41  -4.312   8.101   1.740
  338   1HD1  ILE  41          2HD1      ILE  41  -3.346   6.523   1.080
  339   2HD1  ILE  41          1HD1      ILE  41  -2.979   5.482  -0.298
  340   3HD1  ILE  41          3HD1      ILE  41  -2.697   7.221  -0.403
  341    H    MET  42           HN       MET  42  -8.056   6.657  -2.261
  342    HA   MET  42           HA       MET  42  -9.413   5.280  -0.069
  343   1HB   MET  42           HB2      MET  42 -11.117   4.677  -1.803
  344   2HB   MET  42           HB1      MET  42 -11.017   6.397  -1.467
  345   1HG   MET  42           HG2      MET  42  -9.808   6.789  -3.496
  346   2HG   MET  42           HG1      MET  42  -9.680   5.057  -3.808
  347   1HE   MET  42           HE1      MET  42 -10.863   7.482  -5.734
  348   2HE   MET  42           HE3      MET  42 -10.603   5.834  -6.302
  349   3HE   MET  42           HE2      MET  42 -12.174   6.607  -6.527
  350    H    VAL  43           HN       VAL  43  -9.068   3.201   0.152
  351    HA   VAL  43           HA       VAL  43  -7.196   1.940  -1.598
  352    HB   VAL  43           HB       VAL  43  -8.747   0.501   0.532
  353   1HG1  VAL  43          1HG1      VAL  43  -5.961   0.252  -0.570
  354   2HG1  VAL  43          3HG1      VAL  43  -6.631  -0.743   0.722
  355   3HG1  VAL  43          2HG1      VAL  43  -7.324  -0.819  -0.899
  356   1HG2  VAL  43          3HG2      VAL  43  -6.400   2.354   0.947
  357   2HG2  VAL  43          2HG2      VAL  43  -8.008   2.487   1.660
  358   3HG2  VAL  43          1HG2      VAL  43  -6.944   1.165   2.129
  359    H    ARG  44           HN       ARG  44  -7.672   0.664  -3.229
  360    HA   ARG  44           HA       ARG  44 -10.484  -0.081  -3.626
  361   1HB   ARG  44           HB2      ARG  44  -8.440   0.720  -5.705
  362   2HB   ARG  44           HB1      ARG  44 -10.000   0.011  -6.084
  363   1HG   ARG  44           HG2      ARG  44 -11.002   2.019  -4.831
  364   2HG   ARG  44           HG1      ARG  44  -9.389   2.718  -4.962
  365   1HD   ARG  44           HD2      ARG  44  -9.525   2.969  -7.206
  366   2HD   ARG  44           HD1      ARG  44 -10.563   1.556  -7.418
  367    HE   ARG  44           HE       ARG  44 -11.811   3.817  -6.116
  368   1HH1  ARG  44          1HH1      ARG  44 -11.187   2.104  -9.100
  369   2HH1  ARG  44          2HH1      ARG  44 -12.512   2.825  -9.953
  370   1HH2  ARG  44          1HH2      ARG  44 -13.560   4.806  -7.235
  371   2HH2  ARG  44          2HH2      ARG  44 -13.852   4.385  -8.894
  372    H    GLY  45           HN       GLY  45 -10.487  -1.984  -5.380
  373   1HA   GLY  45           HA1      GLY  45  -8.255  -3.773  -4.855
  374   2HA   GLY  45           HA2      GLY  45  -9.605  -4.072  -5.932
  375    H    LYS  46           HN       LYS  46  -8.547  -5.859  -4.122
  376    HA   LYS  46           HA       LYS  46 -10.947  -6.988  -3.288
  377   1HB   LYS  46           HB2      LYS  46  -8.556  -7.941  -3.883
  378   2HB   LYS  46           HB1      LYS  46  -8.361  -7.890  -2.136
  379   1HG   LYS  46           HG2      LYS  46  -9.102 -10.067  -2.860
  380   2HG   LYS  46           HG1      LYS  46 -10.343  -9.279  -1.875
  381   1HD   LYS  46           HD2      LYS  46 -11.162 -10.448  -3.976
  382   2HD   LYS  46           HD1      LYS  46 -11.665  -8.771  -3.768
  383   1HE   LYS  46           HE2      LYS  46  -9.772  -8.081  -5.242
  384   2HE   LYS  46           HE1      LYS  46  -9.442  -9.794  -5.537
  385   1HZ   LYS  46           HZ3      LYS  46 -11.764  -9.976  -6.367
  386   2HZ   LYS  46           HZ2      LYS  46 -11.900  -8.291  -6.246
  387   3HZ   LYS  46           HZ1      LYS  46 -10.776  -8.975  -7.314
  388    H    GLY  47           HN       GLY  47 -11.920  -5.411  -1.782
  389   1HA   GLY  47           HA1      GLY  47 -11.353  -6.629   0.772
  390   2HA   GLY  47           HA2      GLY  47 -12.839  -5.811   0.349
  391    H    SER  48           HN       SER  48 -12.163  -3.321  -0.220
  392    HA   SER  48           HA       SER  48 -10.103  -2.270   1.477
  393   1HB   SER  48           HB2      SER  48 -12.204  -0.538   0.273
  394   2HB   SER  48           HB1      SER  48 -10.458  -0.299   0.359
  395    HG   SER  48           HG       SER  48 -10.307  -2.081  -1.177
  396    H    MET  49           HN       MET  49 -13.620  -1.593   1.375
  397    HA   MET  49           HA       MET  49 -13.574  -1.270   4.287
  398   1HB   MET  49           HB2      MET  49 -15.330   0.485   4.054
  399   2HB   MET  49           HB1      MET  49 -13.772   0.954   3.399
  400   1HG   MET  49           HG2      MET  49 -15.981  -0.122   1.683
  401   2HG   MET  49           HG1      MET  49 -15.830   1.588   2.075
  402   1HE   MET  49           HE2      MET  49 -12.731   2.075   2.096
  403   2HE   MET  49           HE1      MET  49 -12.430   2.541   0.421
  404   3HE   MET  49           HE3      MET  49 -13.864   3.136   1.258
  405    H    ARG  50           HN       ARG  50 -14.046  -3.567   2.859
  406    HA   ARG  50           HA       ARG  50 -16.715  -4.167   2.209
  407   1HB   ARG  50           HB2      ARG  50 -14.726  -5.348   1.367
  408   2HB   ARG  50           HB1      ARG  50 -14.436  -6.000   2.970
  409   1HG   ARG  50           HG2      ARG  50 -16.364  -7.366   2.861
  410   2HG   ARG  50           HG1      ARG  50 -16.949  -6.539   1.415
  411   1HD   ARG  50           HD2      ARG  50 -15.897  -8.782   1.013
  412   2HD   ARG  50           HD1      ARG  50 -15.216  -7.446   0.090
  413    HE   ARG  50           HE       ARG  50 -13.646  -7.614   2.333
  414   1HH1  ARG  50          1HH1      ARG  50 -14.608  -9.893  -0.144
  415   2HH1  ARG  50          2HH1      ARG  50 -13.095 -10.748  -0.120
  416   1HH2  ARG  50          1HH2      ARG  50 -11.674  -8.737   2.384
  417   2HH2  ARG  50          2HH2      ARG  50 -11.430 -10.114   1.340
  418    H    ASP  51           HN       ASP  51 -16.404  -3.030   4.919
  419    HA   ASP  51           HA       ASP  51 -16.859  -4.786   7.016
  420   1HB   ASP  51           HB2      ASP  51 -17.558  -1.978   6.378
  421   2HB   ASP  51           HB1      ASP  51 -18.498  -2.734   7.662
  422    H    LYS  52           HN       LYS  52 -18.721  -5.764   7.871
  423    HA   LYS  52           HA       LYS  52 -20.700  -6.548   5.987
  424   1HB   LYS  52           HB2      LYS  52 -20.509  -6.883   8.973
  425   2HB   LYS  52           HB1      LYS  52 -21.876  -7.486   8.046
  426   1HG   LYS  52           HG2      LYS  52 -20.181  -8.749   6.643
  427   2HG   LYS  52           HG1      LYS  52 -19.006  -8.349   7.899
  428   1HD   LYS  52           HD2      LYS  52 -19.953 -10.555   8.297
  429   2HD   LYS  52           HD1      LYS  52 -20.444  -9.439   9.571
  430   1HE   LYS  52           HE2      LYS  52 -22.335 -10.790   8.898
  431   2HE   LYS  52           HE1      LYS  52 -22.603  -9.115   8.423
  432   1HZ   LYS  52           HZ1      LYS  52 -21.886  -9.709   6.162
  433   2HZ   LYS  52           HZ3      LYS  52 -21.721 -11.329   6.645
  434   3HZ   LYS  52           HZ2      LYS  52 -23.246 -10.590   6.654
  435    H    LYS  53           HN       LYS  53 -20.480  -4.008   8.313
  436    HA   LYS  53           HA       LYS  53 -23.196  -3.238   8.304
  437   1HB   LYS  53           HB2      LYS  53 -22.343  -1.037   9.050
  438   2HB   LYS  53           HB1      LYS  53 -21.681  -2.372   9.982
  439   1HG   LYS  53           HG2      LYS  53 -19.686  -2.253   8.390
  440   2HG   LYS  53           HG1      LYS  53 -20.331  -0.681   7.909
  441   1HD   LYS  53           HD2      LYS  53 -19.625  -1.488  10.734
  442   2HD   LYS  53           HD1      LYS  53 -18.600  -0.524   9.671
  443   1HE   LYS  53           HE2      LYS  53 -20.320   1.203   9.572
  444   2HE   LYS  53           HE1      LYS  53 -21.363   0.231  10.610
  445   1HZ   LYS  53           HZ2      LYS  53 -18.693   1.264  11.392
  446   2HZ   LYS  53           HZ1      LYS  53 -20.171   1.977  11.823
  447   3HZ   LYS  53           HZ3      LYS  53 -19.776   0.426  12.388
  448    H    LYS  54           HN       LYS  54 -20.467  -2.624   6.190
  449    HA   LYS  54           HA       LYS  54 -21.719  -0.640   4.604
  450   1HB   LYS  54           HB2      LYS  54 -19.201  -2.016   4.630
  451   2HB   LYS  54           HB1      LYS  54 -19.861  -2.046   3.000
  452   1HG   LYS  54           HG2      LYS  54 -18.604  -0.102   3.030
  453   2HG   LYS  54           HG1      LYS  54 -20.238   0.473   3.341
  454   1HD   LYS  54           HD2      LYS  54 -19.815   0.730   5.656
  455   2HD   LYS  54           HD1      LYS  54 -18.287  -0.148   5.544
  456   1HE   LYS  54           HE2      LYS  54 -17.363   1.641   4.158
  457   2HE   LYS  54           HE1      LYS  54 -18.890   2.515   4.260
  458   1HZ   LYS  54           HZ1      LYS  54 -17.298   1.782   6.654
  459   2HZ   LYS  54           HZ3      LYS  54 -17.100   3.254   5.830
  460   3HZ   LYS  54           HZ2      LYS  54 -18.588   2.883   6.554
  461    H    GLU  55           HN       GLU  55 -21.273  -4.154   4.198
  462    HA   GLU  55           HA       GLU  55 -22.554  -4.313   1.728
  463   1HB   GLU  55           HB2      GLU  55 -22.911  -6.731   2.245
  464   2HB   GLU  55           HB1      GLU  55 -21.253  -6.184   2.455
  465   1HG   GLU  55           HG2      GLU  55 -21.285  -6.467   4.684
  466   2HG   GLU  55           HG1      GLU  55 -23.002  -6.086   4.826
  467    H    GLU  56           HN       GLU  56 -23.884  -3.890   4.869
  468    HA   GLU  56           HA       GLU  56 -26.521  -4.778   4.181
  469   1HB   GLU  56           HB2      GLU  56 -25.616  -2.923   6.389
  470   2HB   GLU  56           HB1      GLU  56 -27.240  -3.577   6.227
  471   1HG   GLU  56           HG2      GLU  56 -26.187  -5.869   6.364
  472   2HG   GLU  56           HG1      GLU  56 -24.698  -5.050   6.835
  473    H    GLN  57           HN       GLN  57 -25.169  -1.511   4.682
  474    HA   GLN  57           HA       GLN  57 -27.543  -0.467   3.317
  475   1HB   GLN  57           HB2      GLN  57 -26.850   1.696   4.550
  476   2HB   GLN  57           HB1      GLN  57 -27.567   0.374   5.457
  477   1HG   GLN  57           HG2      GLN  57 -25.791   1.139   6.770
  478   2HG   GLN  57           HG1      GLN  57 -25.236  -0.360   6.035
  479   1HE2  GLN  57          1HE2      GLN  57 -23.099  -0.021   6.044
  480   2HE2  GLN  57          2HE2      GLN  57 -22.314   1.280   5.203
  481    H    ASN  58           HN       ASN  58 -24.079  -0.479   3.133
  482    HA   ASN  58           HA       ASN  58 -24.127   1.603   1.054
  483   1HB   ASN  58           HB2      ASN  58 -22.640   1.849   3.124
  484   2HB   ASN  58           HB1      ASN  58 -21.680   0.532   2.460
  485   1HD2  ASN  58          1HD2      ASN  58 -22.687   3.855   2.048
  486   2HD2  ASN  58          2HD2      ASN  58 -21.455   4.285   0.902
  487    H    ARG  59           HN       ARG  59 -24.602  -1.462   1.153
  488    HA   ARG  59           HA       ARG  59 -22.782  -2.756  -0.490
  489   1HB   ARG  59           HB2      ARG  59 -24.644  -4.255  -1.089
  490   2HB   ARG  59           HB1      ARG  59 -24.544  -3.958   0.638
  491   1HG   ARG  59           HG2      ARG  59 -26.379  -2.341   0.459
  492   2HG   ARG  59           HG1      ARG  59 -26.486  -2.675  -1.272
  493   1HD   ARG  59           HD2      ARG  59 -26.951  -4.627   0.980
  494   2HD   ARG  59           HD1      ARG  59 -28.175  -3.936  -0.084
  495    HE   ARG  59           HE       ARG  59 -26.609  -5.127  -1.866
  496   1HH1  ARG  59          1HH1      ARG  59 -27.809  -6.305   1.208
  497   2HH1  ARG  59          2HH1      ARG  59 -27.818  -7.970   0.716
  498   1HH2  ARG  59          1HH2      ARG  59 -26.619  -7.308  -2.510
  499   2HH2  ARG  59          2HH2      ARG  59 -27.143  -8.544  -1.407
  500    H    GLY  60           HN       GLY  60 -22.561  -2.998  -2.672
  501   1HA   GLY  60           HA1      GLY  60 -24.358  -1.713  -4.541
  502   2HA   GLY  60           HA2      GLY  60 -22.891  -2.603  -4.939
  503    H    LYS  61           HN       LYS  61 -22.019  -0.497  -2.607
  504    HA   LYS  61           HA       LYS  61 -21.602   1.776  -4.372
  505   1HB   LYS  61           HB2      LYS  61 -21.590   1.387  -1.436
  506   2HB   LYS  61           HB1      LYS  61 -20.513   2.621  -2.078
  507   1HG   LYS  61           HG2      LYS  61 -22.591   3.639  -1.460
  508   2HG   LYS  61           HG1      LYS  61 -22.442   3.662  -3.218
  509   1HD   LYS  61           HD2      LYS  61 -23.850   1.574  -3.252
  510   2HD   LYS  61           HD1      LYS  61 -24.141   1.832  -1.531
  511   1HE   LYS  61           HE2      LYS  61 -24.871   3.686  -3.793
  512   2HE   LYS  61           HE1      LYS  61 -25.978   2.744  -2.799
  513   1HZ   LYS  61           HZ2      LYS  61 -25.229   4.032  -0.866
  514   2HZ   LYS  61           HZ1      LYS  61 -24.263   4.989  -1.880
  515   3HZ   LYS  61           HZ3      LYS  61 -25.950   5.007  -2.050
  516    HA   PRO  62           HA       PRO  62 -17.332   1.997  -5.461
  517   1HB   PRO  62           HB2      PRO  62 -16.872   3.224  -2.752
  518   2HB   PRO  62           HB1      PRO  62 -16.132   3.630  -4.305
  519   1HG   PRO  62           HG2      PRO  62 -18.277   4.961  -3.301
  520   2HG   PRO  62           HG1      PRO  62 -17.969   4.783  -5.035
  521   1HD   PRO  62           HD2      PRO  62 -20.127   3.670  -3.471
  522   2HD   PRO  62           HD1      PRO  62 -19.865   3.571  -5.223
  523    H    ASN  63           HN       ASN  63 -17.903   0.720  -2.197
  524    HA   ASN  63           HA       ASN  63 -15.289  -0.381  -1.909
  525   1HB   ASN  63           HB2      ASN  63 -16.774  -2.011  -0.306
  526   2HB   ASN  63           HB1      ASN  63 -16.091  -0.470   0.181
  527   1HD2  ASN  63          1HD2      ASN  63 -17.830   1.318  -0.917
  528   2HD2  ASN  63          2HD2      ASN  63 -19.400   1.119  -0.208
  529    H    TRP  64           HN       TRP  64 -18.313  -1.484  -3.150
  530    HA   TRP  64           HA       TRP  64 -17.245  -4.081  -3.807
  531   1HB   TRP  64           HB2      TRP  64 -19.918  -2.964  -4.607
  532   2HB   TRP  64           HB1      TRP  64 -19.457  -4.658  -4.448
  533    HD1  TRP  64           HD1      TRP  64 -20.669  -1.733  -2.407
  534    HE1  TRP  64           HE1      TRP  64 -21.034  -2.471   0.020
  535    HE3  TRP  64           HE3      TRP  64 -18.579  -6.370  -2.686
  536    HZ2  TRP  64           HZ2      TRP  64 -20.480  -4.756   1.618
  537    HZ3  TRP  64           HZ3      TRP  64 -18.527  -7.770  -0.666
  538    HH2  TRP  64           HH2      TRP  64 -19.462  -6.977   1.441
  539    H    GLU  65           HN       GLU  65 -18.025  -1.025  -5.219
  540    HA   GLU  65           HA       GLU  65 -17.959  -1.506  -7.914
  541   1HB   GLU  65           HB2      GLU  65 -18.315   0.706  -7.679
  542   2HB   GLU  65           HB1      GLU  65 -17.435   0.765  -6.157
  543   1HG   GLU  65           HG2      GLU  65 -15.358   0.531  -7.798
  544   2HG   GLU  65           HG1      GLU  65 -16.482   1.285  -8.921
  545    H    HIS  66           HN       HIS  66 -15.212  -0.872  -5.786
  546    HA   HIS  66           HA       HIS  66 -13.421  -1.596  -7.970
  547   1HB   HIS  66           HB2      HIS  66 -11.626  -0.648  -6.527
  548   2HB   HIS  66           HB1      HIS  66 -12.872   0.502  -6.993
  549    HD1  HIS  66           HD1      HIS  66 -13.423   2.012  -5.143
  550    HD2  HIS  66           HD2      HIS  66 -12.464  -1.794  -3.798
  551    HE1  HIS  66           HE1      HIS  66 -13.424   2.169  -2.629
  552    HE2  HIS  66           HE2      HIS  66 -12.584  -0.081  -1.858
  553    H    LEU  67           HN       LEU  67 -14.934  -3.198  -5.559
  554    HA   LEU  67           HA       LEU  67 -12.810  -4.753  -4.472
  555   1HB   LEU  67           HB2      LEU  67 -15.441  -4.460  -3.875
  556   2HB   LEU  67           HB1      LEU  67 -15.475  -6.003  -4.703
  557    HG   LEU  67           HG       LEU  67 -13.644  -5.450  -2.372
  558   1HD1  LEU  67          3HD1      LEU  67 -15.971  -5.128  -1.690
  559   2HD1  LEU  67          2HD1      LEU  67 -16.375  -6.719  -2.337
  560   3HD1  LEU  67          1HD1      LEU  67 -15.270  -6.577  -0.971
  561   1HD2  LEU  67          2HD2      LEU  67 -14.628  -8.009  -3.632
  562   2HD2  LEU  67          1HD2      LEU  67 -13.000  -7.341  -3.763
  563   3HD2  LEU  67          3HD2      LEU  67 -13.604  -7.893  -2.200
  564    H    ASN  68           HN       ASN  68 -14.420  -4.688  -7.429
  565    HA   ASN  68           HA       ASN  68 -13.656  -7.397  -8.170
  566   1HB   ASN  68           HB2      ASN  68 -14.638  -6.585 -10.457
  567   2HB   ASN  68           HB1      ASN  68 -15.720  -6.976  -9.123
  568   1HD2  ASN  68          1HD2      ASN  68 -16.791  -5.319  -8.056
  569   2HD2  ASN  68          2HD2      ASN  68 -16.911  -3.711  -8.671
  570    H    GLU  69           HN       GLU  69 -12.046  -4.671  -7.807
  571    HA   GLU  69           HA       GLU  69 -10.203  -5.165 -10.041
  572   1HB   GLU  69           HB2      GLU  69 -10.059  -3.023  -7.903
  573   2HB   GLU  69           HB1      GLU  69  -9.050  -3.137  -9.335
  574   1HG   GLU  69           HG2      GLU  69 -10.965  -2.683 -10.751
  575   2HG   GLU  69           HG1      GLU  69 -12.019  -2.642  -9.338
  576    H    ASP  70           HN       ASP  70  -7.788  -4.814  -9.107
  577    HA   ASP  70           HA       ASP  70  -7.446  -6.804  -7.006
  578   1HB   ASP  70           HB2      ASP  70  -6.055  -6.990  -9.039
  579   2HB   ASP  70           HB1      ASP  70  -5.343  -5.424  -8.690
  580    H    LEU  71           HN       LEU  71  -6.330  -6.425  -5.114
  581    HA   LEU  71           HA       LEU  71  -7.058  -4.139  -3.731
  582   1HB   LEU  71           HB2      LEU  71  -5.699  -6.531  -3.176
  583   2HB   LEU  71           HB1      LEU  71  -4.613  -5.252  -2.667
  584    HG   LEU  71           HG       LEU  71  -7.330  -5.934  -1.640
  585   1HD1  LEU  71          2HD1      LEU  71  -4.689  -5.288  -0.344
  586   2HD1  LEU  71          1HD1      LEU  71  -6.185  -5.645   0.521
  587   3HD1  LEU  71          3HD1      LEU  71  -5.436  -6.879  -0.492
  588   1HD2  LEU  71          3HD2      LEU  71  -5.991  -3.241  -1.496
  589   2HD2  LEU  71          2HD2      LEU  71  -7.564  -3.639  -2.193
  590   3HD2  LEU  71          1HD2      LEU  71  -7.322  -3.753  -0.449
  591    H    HIS  72           HN       HIS  72  -6.379  -2.091  -4.159
  592    HA   HIS  72           HA       HIS  72  -3.513  -1.608  -4.205
  593   1HB   HIS  72           HB2      HIS  72  -3.523  -0.250  -6.193
  594   2HB   HIS  72           HB1      HIS  72  -4.141  -1.847  -6.589
  595    HD1  HIS  72           HD1      HIS  72  -6.638  -2.028  -7.248
  596    HD2  HIS  72           HD2      HIS  72  -5.338   1.860  -6.534
  597    HE1  HIS  72           HE1      HIS  72  -8.399  -0.520  -8.222
  598    HE2  HIS  72           HE2      HIS  72  -7.462   1.790  -8.018
  599    H    VAL  73           HN       VAL  73  -3.042   0.751  -4.081
  600    HA   VAL  73           HA       VAL  73  -5.123   2.094  -2.486
  601    HB   VAL  73           HB       VAL  73  -3.313   3.520  -1.573
  602   1HG1  VAL  73          3HG1      VAL  73  -2.888   0.557  -1.218
  603   2HG1  VAL  73          2HG1      VAL  73  -2.289   1.810  -0.132
  604   3HG1  VAL  73          1HG1      VAL  73  -4.026   1.568  -0.328
  605   1HG2  VAL  73          1HG2      VAL  73  -1.718   3.373  -3.410
  606   2HG2  VAL  73          3HG2      VAL  73  -0.968   2.885  -1.891
  607   3HG2  VAL  73          2HG2      VAL  73  -1.459   1.663  -3.064
  608    H    LEU  74           HN       LEU  74  -5.854   4.073  -3.107
  609    HA   LEU  74           HA       LEU  74  -4.690   5.199  -5.560
  610   1HB   LEU  74           HB2      LEU  74  -6.627   3.758  -6.112
  611   2HB   LEU  74           HB1      LEU  74  -7.639   4.696  -5.046
  612    HG   LEU  74           HG       LEU  74  -6.329   5.779  -7.549
  613   1HD1  LEU  74          3HD1      LEU  74  -9.141   4.817  -7.063
  614   2HD1  LEU  74          2HD1      LEU  74  -8.590   5.663  -8.508
  615   3HD1  LEU  74          1HD1      LEU  74  -7.943   4.067  -8.119
  616   1HD2  LEU  74          3HD2      LEU  74  -8.515   6.920  -5.810
  617   2HD2  LEU  74          2HD2      LEU  74  -6.858   7.518  -5.908
  618   3HD2  LEU  74          1HD2      LEU  74  -7.916   7.616  -7.315
  619    H    ILE  75           HN       ILE  75  -4.016   7.096  -5.106
  620    HA   ILE  75           HA       ILE  75  -5.262   8.718  -3.065
  621    HB   ILE  75           HB       ILE  75  -3.553  10.445  -4.073
  622   1HG1  ILE  75          2HG1      ILE  75  -2.285   7.848  -4.929
  623   2HG1  ILE  75          1HG1      ILE  75  -3.085   8.952  -6.043
  624   1HG2  ILE  75          2HG2      ILE  75  -3.447   9.487  -1.841
  625   2HG2  ILE  75          1HG2      ILE  75  -2.653   8.053  -2.495
  626   3HG2  ILE  75          3HG2      ILE  75  -1.844   9.621  -2.564
  627   1HD1  ILE  75          1HD1      ILE  75  -1.482  10.702  -5.418
  628   2HD1  ILE  75          3HD1      ILE  75  -0.658   9.544  -4.371
  629   3HD1  ILE  75          2HD1      ILE  75  -0.707   9.276  -6.115
  630    H    THR  76           HN       THR  76  -7.095   9.626  -3.540
  631    HA   THR  76           HA       THR  76  -7.563  10.624  -6.259
  632    HB   THR  76           HB       THR  76  -9.857  10.731  -4.481
  633    HG1  THR  76           HG1      THR  76  -9.121   8.949  -3.416
  634   1HG2  THR  76          1HG2      THR  76  -9.255   9.191  -6.996
  635   2HG2  THR  76          3HG2      THR  76 -10.853   9.381  -6.269
  636   3HG2  THR  76          2HG2      THR  76  -9.997  10.789  -6.900
  637    H    VAL  77           HN       VAL  77  -7.077  12.660  -6.497
  638    HA   VAL  77           HA       VAL  77  -7.723  14.509  -4.305
  639    HB   VAL  77           HB       VAL  77  -5.287  14.291  -4.745
  640   1HG1  VAL  77          1HG1      VAL  77  -5.954  15.366  -7.477
  641   2HG1  VAL  77          3HG1      VAL  77  -4.331  15.200  -6.808
  642   3HG1  VAL  77          2HG1      VAL  77  -5.316  13.766  -7.101
  643   1HG2  VAL  77          2HG2      VAL  77  -6.191  16.371  -3.862
  644   2HG2  VAL  77          1HG2      VAL  77  -4.793  16.654  -4.900
  645   3HG2  VAL  77          3HG2      VAL  77  -6.421  16.973  -5.504
  646    H    GLU  78           HN       GLU  78  -9.312  15.910  -4.771
  647    HA   GLU  78           HA       GLU  78  -9.986  16.313  -7.577
  648   1HB   GLU  78           HB2      GLU  78 -11.387  17.345  -5.099
  649   2HB   GLU  78           HB1      GLU  78 -11.987  17.449  -6.752
  650   1HG   GLU  78           HG2      GLU  78 -11.865  14.913  -6.787
  651   2HG   GLU  78           HG1      GLU  78 -11.656  15.009  -5.041
  652    H    ASP  79           HN       ASP  79  -8.278  17.496  -8.244
  653    HA   ASP  79           HA       ASP  79  -8.226  20.219  -8.249
  654   1HB   ASP  79           HB2      ASP  79  -7.771  19.900  -5.729
  655   2HB   ASP  79           HB1      ASP  79  -6.189  19.297  -6.212
  656    H    ALA  80           HN       ALA  80  -6.795  20.782  -9.828
  657    HA   ALA  80           HA       ALA  80  -5.108  18.609 -10.833
  658   1HB   ALA  80           HB1      ALA  80  -6.753  19.501 -12.378
  659   2HB   ALA  80           HB3      ALA  80  -6.072  21.118 -12.199
  660   3HB   ALA  80           HB2      ALA  80  -5.123  19.840 -12.956
  661    H    GLN  81           HN       GLN  81  -4.432  20.687  -8.643
  662    HA   GLN  81           HA       GLN  81  -2.232  22.084  -9.960
  663   1HB   GLN  81           HB2      GLN  81  -3.300  22.357  -7.150
  664   2HB   GLN  81           HB1      GLN  81  -2.041  23.356  -7.868
  665   1HG   GLN  81           HG2      GLN  81  -3.628  24.143  -9.549
  666   2HG   GLN  81           HG1      GLN  81  -4.887  23.153  -8.815
  667   1HE2  GLN  81          1HE2      GLN  81  -6.185  24.879  -8.365
  668   2HE2  GLN  81          2HE2      GLN  81  -5.829  26.028  -7.124
  669    H    ASN  82           HN       ASN  82  -0.128  22.038  -9.210
  670    HA   ASN  82           HA       ASN  82   0.859  19.459  -8.651
  671   1HB   ASN  82           HB2      ASN  82   2.107  21.176  -9.916
  672   2HB   ASN  82           HB1      ASN  82   2.282  22.123  -8.443
  673   1HD2  ASN  82          1HD2      ASN  82   4.516  22.051  -8.547
  674   2HD2  ASN  82          2HD2      ASN  82   5.412  20.608  -8.200
  675    H    ARG  83           HN       ARG  83   0.255  22.253  -6.601
  676    HA   ARG  83           HA       ARG  83   1.647  21.430  -4.321
  677   1HB   ARG  83           HB2      ARG  83   0.211  22.975  -3.082
  678   2HB   ARG  83           HB1      ARG  83   0.754  23.692  -4.592
  679   1HG   ARG  83           HG2      ARG  83  -1.403  23.226  -5.611
  680   2HG   ARG  83           HG1      ARG  83  -1.951  22.452  -4.123
  681   1HD   ARG  83           HD2      ARG  83  -1.218  25.348  -4.512
  682   2HD   ARG  83           HD1      ARG  83  -2.826  24.690  -4.217
  683    HE   ARG  83           HE       ARG  83  -0.642  24.917  -2.262
  684   1HH1  ARG  83          1HH1      ARG  83  -3.966  24.064  -2.995
  685   2HH1  ARG  83          2HH1      ARG  83  -4.493  24.171  -1.337
  686   1HH2  ARG  83          1HH2      ARG  83  -1.327  25.044  -0.077
  687   2HH2  ARG  83          2HH2      ARG  83  -2.991  24.716   0.325
  688    H    ALA  84           HN       ALA  84  -1.609  20.648  -5.423
  689    HA   ALA  84           HA       ALA  84  -2.461  19.376  -3.050
  690   1HB   ALA  84           HB2      ALA  84  -3.496  18.929  -5.846
  691   2HB   ALA  84           HB1      ALA  84  -4.338  18.595  -4.334
  692   3HB   ALA  84           HB3      ALA  84  -3.989  20.260  -4.800
  693    H    GLU  85           HN       GLU  85  -1.277  18.111  -6.168
  694    HA   GLU  85           HA       GLU  85  -1.339  15.412  -5.289
  695   1HB   GLU  85           HB2      GLU  85  -0.187  14.817  -7.263
  696   2HB   GLU  85           HB1      GLU  85  -1.335  16.083  -7.688
  697   1HG   GLU  85           HG2      GLU  85   0.302  17.669  -8.034
  698   2HG   GLU  85           HG1      GLU  85   1.470  16.841  -7.012
  699    H    LEU  86           HN       LEU  86   1.096  17.937  -5.106
  700    HA   LEU  86           HA       LEU  86   3.318  16.342  -4.494
  701   1HB   LEU  86           HB2      LEU  86   2.835  19.039  -4.654
  702   2HB   LEU  86           HB1      LEU  86   3.042  18.829  -2.927
  703    HG   LEU  86           HG       LEU  86   5.133  19.494  -3.959
  704   1HD1  LEU  86          3HD1      LEU  86   5.197  16.611  -3.086
  705   2HD1  LEU  86          2HD1      LEU  86   6.583  17.699  -3.159
  706   3HD1  LEU  86          1HD1      LEU  86   5.266  18.021  -2.030
  707   1HD2  LEU  86          1HD2      LEU  86   4.702  18.625  -6.199
  708   2HD2  LEU  86          3HD2      LEU  86   6.263  18.083  -5.586
  709   3HD2  LEU  86          2HD2      LEU  86   4.890  16.977  -5.599
  710    H    LYS  87           HN       LYS  87   0.658  17.543  -2.587
  711    HA   LYS  87           HA       LYS  87   1.635  16.649  -0.085
  712   1HB   LYS  87           HB2      LYS  87  -0.241  18.399  -0.840
  713   2HB   LYS  87           HB1      LYS  87  -1.283  17.022  -0.524
  714   1HG   LYS  87           HG2      LYS  87  -0.525  16.903   1.752
  715   2HG   LYS  87           HG1      LYS  87   0.699  18.136   1.450
  716   1HD   LYS  87           HD2      LYS  87  -2.297  18.492   1.415
  717   2HD   LYS  87           HD1      LYS  87  -1.159  19.148   2.593
  718   1HE   LYS  87           HE2      LYS  87  -0.124  20.502   0.833
  719   2HE   LYS  87           HE1      LYS  87  -1.272  19.854  -0.338
  720   1HZ   LYS  87           HZ1      LYS  87  -3.052  20.789   1.187
  721   2HZ   LYS  87           HZ3      LYS  87  -1.806  21.659   1.950
  722   3HZ   LYS  87           HZ2      LYS  87  -2.139  21.905   0.308
  723    H    LEU  88           HN       LEU  88  -0.764  15.159  -2.386
  724    HA   LEU  88           HA       LEU  88  -1.055  12.985  -0.559
  725   1HB   LEU  88           HB2      LEU  88  -2.276  11.735  -2.251
  726   2HB   LEU  88           HB1      LEU  88  -2.949  13.292  -1.865
  727    HG   LEU  88           HG       LEU  88  -2.984  12.281  -4.270
  728   1HD1  LEU  88          3HD1      LEU  88  -2.728  15.076  -3.383
  729   2HD1  LEU  88          2HD1      LEU  88  -2.761  14.733  -5.114
  730   3HD1  LEU  88          1HD1      LEU  88  -4.098  14.204  -4.084
  731   1HD2  LEU  88          3HD2      LEU  88  -0.528  12.057  -4.459
  732   2HD2  LEU  88          2HD2      LEU  88  -1.287  12.988  -5.750
  733   3HD2  LEU  88          1HD2      LEU  88  -0.421  13.815  -4.455
  734    H    LYS  89           HN       LYS  89   1.147  13.581  -3.148
  735    HA   LYS  89           HA       LYS  89   1.799  10.845  -3.568
  736   1HB   LYS  89           HB2      LYS  89   3.617  11.607  -4.922
  737   2HB   LYS  89           HB1      LYS  89   2.231  12.641  -5.234
  738   1HG   LYS  89           HG2      LYS  89   3.312  14.202  -3.478
  739   2HG   LYS  89           HG1      LYS  89   4.773  13.265  -3.804
  740   1HD   LYS  89           HD2      LYS  89   3.111  14.727  -5.851
  741   2HD   LYS  89           HD1      LYS  89   4.656  15.266  -5.196
  742   1HE   LYS  89           HE2      LYS  89   5.803  13.434  -6.206
  743   2HE   LYS  89           HE1      LYS  89   4.284  12.655  -6.651
  744   1HZ   LYS  89           HZ3      LYS  89   3.837  14.580  -8.116
  745   2HZ   LYS  89           HZ2      LYS  89   5.386  15.180  -7.761
  746   3HZ   LYS  89           HZ1      LYS  89   5.216  13.701  -8.568
  747    H    ARG  90           HN       ARG  90   3.122  13.355  -1.455
  748    HA   ARG  90           HA       ARG  90   5.259  11.733  -0.516
  749   1HB   ARG  90           HB2      ARG  90   5.361  13.353   1.395
  750   2HB   ARG  90           HB1      ARG  90   5.486  14.081  -0.198
  751   1HG   ARG  90           HG2      ARG  90   3.280  14.924  -0.087
  752   2HG   ARG  90           HG1      ARG  90   2.911  13.947   1.335
  753   1HD   ARG  90           HD2      ARG  90   5.018  16.097   1.288
  754   2HD   ARG  90           HD1      ARG  90   3.346  16.378   1.782
  755    HE   ARG  90           HE       ARG  90   4.609  14.197   3.184
  756   1HH1  ARG  90          1HH1      ARG  90   4.149  17.673   3.125
  757   2HH1  ARG  90          2HH1      ARG  90   4.399  17.863   4.839
  758   1HH2  ARG  90          1HH2      ARG  90   4.925  14.440   5.433
  759   2HH2  ARG  90          2HH2      ARG  90   4.851  16.020   6.151
  760    H    ALA  91           HN       ALA  91   1.972  12.334   0.609
  761    HA   ALA  91           HA       ALA  91   2.148  10.820   2.994
  762   1HB   ALA  91           HB1      ALA  91  -0.274  11.468   1.319
  763   2HB   ALA  91           HB3      ALA  91  -0.285  10.921   2.997
  764   3HB   ALA  91           HB2      ALA  91   0.406  12.492   2.585
  765    H    VAL  92           HN       VAL  92   1.016  10.041  -0.268
  766    HA   VAL  92           HA       VAL  92   0.278   7.383   0.362
  767    HB   VAL  92           HB       VAL  92  -0.486   8.803  -1.632
  768   1HG1  VAL  92          1HG1      VAL  92   2.049   7.660  -2.801
  769   2HG1  VAL  92          3HG1      VAL  92   0.760   8.442  -3.716
  770   3HG1  VAL  92          2HG1      VAL  92   1.691   9.369  -2.537
  771   1HG2  VAL  92          2HG2      VAL  92  -1.169   6.501  -1.237
  772   2HG2  VAL  92          1HG2      VAL  92  -0.914   6.785  -2.960
  773   3HG2  VAL  92          3HG2      VAL  92   0.299   5.913  -2.021
  774    H    GLU  93           HN       GLU  93   3.277   8.889  -0.606
  775    HA   GLU  93           HA       GLU  93   4.702   6.554  -1.222
  776   1HB   GLU  93           HB2      GLU  93   5.409   9.313  -0.421
  777   2HB   GLU  93           HB1      GLU  93   6.647   8.089  -0.190
  778   1HG   GLU  93           HG2      GLU  93   6.456   7.470  -2.553
  779   2HG   GLU  93           HG1      GLU  93   5.244   8.731  -2.770
  780    H    GLU  94           HN       GLU  94   3.941   8.087   1.861
  781    HA   GLU  94           HA       GLU  94   5.426   6.368   3.520
  782   1HB   GLU  94           HB2      GLU  94   2.735   7.646   4.062
  783   2HB   GLU  94           HB1      GLU  94   3.795   6.944   5.279
  784   1HG   GLU  94           HG2      GLU  94   4.478   9.293   3.523
  785   2HG   GLU  94           HG1      GLU  94   3.929   9.391   5.196
  786    H    VAL  95           HN       VAL  95   2.133   6.064   2.197
  787    HA   VAL  95           HA       VAL  95   1.641   3.480   3.239
  788    HB   VAL  95           HB       VAL  95   0.518   4.857   0.808
  789   1HG1  VAL  95          1HG1      VAL  95  -0.028   2.079   1.855
  790   2HG1  VAL  95          3HG1      VAL  95  -1.209   2.976   0.894
  791   3HG1  VAL  95          2HG1      VAL  95   0.370   2.584   0.211
  792   1HG2  VAL  95          1HG2      VAL  95  -0.656   4.167   3.501
  793   2HG2  VAL  95          3HG2      VAL  95  -0.172   5.772   2.950
  794   3HG2  VAL  95          2HG2      VAL  95  -1.524   4.945   2.177
  795    H    LYS  96           HN       LYS  96   3.125   4.550   0.225
  796    HA   LYS  96           HA       LYS  96   3.374   2.099  -1.025
  797   1HB   LYS  96           HB2      LYS  96   3.907   4.530  -1.779
  798   2HB   LYS  96           HB1      LYS  96   5.526   4.166  -1.197
  799   1HG   LYS  96           HG2      LYS  96   5.848   2.493  -2.790
  800   2HG   LYS  96           HG1      LYS  96   4.120   2.385  -3.147
  801   1HD   LYS  96           HD2      LYS  96   5.241   3.567  -4.933
  802   2HD   LYS  96           HD1      LYS  96   4.190   4.671  -4.037
  803   1HE   LYS  96           HE2      LYS  96   6.281   5.767  -4.483
  804   2HE   LYS  96           HE1      LYS  96   6.145   5.440  -2.756
  805   1HZ   LYS  96           HZ1      LYS  96   7.669   3.762  -4.678
  806   2HZ   LYS  96           HZ3      LYS  96   8.359   4.938  -3.670
  807   3HZ   LYS  96           HZ2      LYS  96   7.618   3.573  -2.990
  808    H    LYS  97           HN       LYS  97   5.304   3.473   1.563
  809    HA   LYS  97           HA       LYS  97   7.282   1.382   1.475
  810   1HB   LYS  97           HB2      LYS  97   7.677   3.692   2.418
  811   2HB   LYS  97           HB1      LYS  97   6.658   3.234   3.777
  812   1HG   LYS  97           HG2      LYS  97   8.303   1.216   3.959
  813   2HG   LYS  97           HG1      LYS  97   9.379   2.274   3.041
  814   1HD   LYS  97           HD2      LYS  97   9.022   4.032   4.752
  815   2HD   LYS  97           HD1      LYS  97   8.067   2.873   5.684
  816   1HE   LYS  97           HE2      LYS  97  10.327   2.960   6.545
  817   2HE   LYS  97           HE1      LYS  97  10.025   1.390   5.800
  818   1HZ   LYS  97           HZ2      LYS  97  11.142   2.282   3.776
  819   2HZ   LYS  97           HZ1      LYS  97  11.582   3.652   4.666
  820   3HZ   LYS  97           HZ3      LYS  97  12.164   2.123   5.115
  821    H    LEU  98           HN       LEU  98   4.226   1.976   3.040
  822    HA   LEU  98           HA       LEU  98   4.565  -0.057   5.041
  823   1HB   LEU  98           HB2      LEU  98   3.103   2.102   5.111
  824   2HB   LEU  98           HB1      LEU  98   1.921   1.112   4.263
  825    HG   LEU  98           HG       LEU  98   1.899  -0.481   6.123
  826   1HD1  LEU  98          3HD1      LEU  98   3.797   1.451   7.450
  827   2HD1  LEU  98          2HD1      LEU  98   3.026   0.066   8.225
  828   3HD1  LEU  98          1HD1      LEU  98   4.180  -0.186   6.914
  829   1HD2  LEU  98          1HD2      LEU  98   0.311   1.378   6.108
  830   2HD2  LEU  98          3HD2      LEU  98   0.771   0.942   7.752
  831   3HD2  LEU  98          2HD2      LEU  98   1.466   2.375   6.995
  832    H    LEU  99           HN       LEU  99   2.824   0.251   1.995
  833    HA   LEU  99           HA       LEU  99   1.426  -2.180   2.152
  834   1HB   LEU  99           HB2      LEU  99   1.050  -1.897  -0.296
  835   2HB   LEU  99           HB1      LEU  99   0.554  -0.553   0.706
  836    HG   LEU  99           HG       LEU  99   2.669   0.614   0.045
  837   1HD1  LEU  99          3HD1      LEU  99   2.808  -1.594  -1.997
  838   2HD1  LEU  99          2HD1      LEU  99   3.775  -0.120  -2.006
  839   3HD1  LEU  99          1HD1      LEU  99   3.969  -1.294  -0.704
  840   1HD2  LEU  99          1HD2      LEU  99   0.515   1.160  -0.923
  841   2HD2  LEU  99          3HD2      LEU  99   1.794   1.292  -2.130
  842   3HD2  LEU  99          2HD2      LEU  99   0.721  -0.107  -2.132
  843    H    VAL 100           HN       VAL 100   4.644  -1.868   2.071
  844    HA   VAL 100           HA       VAL 100   5.326  -3.939   0.215
  845    HB   VAL 100           HB       VAL 100   6.874  -2.813   2.563
  846   1HG1  VAL 100          1HG1      VAL 100   7.811  -4.608   0.326
  847   2HG1  VAL 100          3HG1      VAL 100   8.858  -3.819   1.507
  848   3HG1  VAL 100          2HG1      VAL 100   7.694  -5.035   2.033
  849   1HG2  VAL 100          2HG2      VAL 100   7.055  -2.242  -0.392
  850   2HG2  VAL 100          1HG2      VAL 100   6.426  -1.157   0.846
  851   3HG2  VAL 100          3HG2      VAL 100   8.135  -1.595   0.843
  852    HA   PRO 101           HA       PRO 101   3.907  -7.434   2.611
  853   1HB   PRO 101           HB2      PRO 101   5.547  -9.307   1.482
  854   2HB   PRO 101           HB1      PRO 101   4.085  -8.682   0.708
  855   1HG   PRO 101           HG2      PRO 101   6.936  -7.818   0.332
  856   2HG   PRO 101           HG1      PRO 101   5.712  -8.182  -0.903
  857   1HD   PRO 101           HD2      PRO 101   6.230  -5.667  -0.250
  858   2HD   PRO 101           HD1      PRO 101   4.550  -6.191  -0.501
  859    H    ALA 102           HN       ALA 102   6.774  -5.944   3.011
  860    HA   ALA 102           HA       ALA 102   7.969  -5.710   4.916
  861   1HB   ALA 102           HB1      ALA 102   6.737  -8.258   5.910
  862   2HB   ALA 102           HB3      ALA 102   7.660  -7.097   6.862
  863   3HB   ALA 102           HB2      ALA 102   6.095  -6.641   6.188
  864    H    ALA 103           HN       ALA 103   7.882  -8.872   3.478
  865    HA   ALA 103           HA       ALA 103  10.523  -9.592   4.237
  866   1HB   ALA 103           HB3      ALA 103   8.806 -11.260   3.650
  867   2HB   ALA 103           HB2      ALA 103   8.862 -10.694   1.980
  868   3HB   ALA 103           HB1      ALA 103  10.283 -11.449   2.704
  869    H    GLU 104           HN       GLU 104   9.093  -7.877   1.631
  870    HA   GLU 104           HA       GLU 104   9.890  -6.594  -0.057
  871   1HB   GLU 104           HB2      GLU 104  11.351  -5.850   1.945
  872   2HB   GLU 104           HB1      GLU 104  12.630  -6.776   1.174
  873   1HG   GLU 104           HG2      GLU 104  12.719  -5.351  -0.669
  874   2HG   GLU 104           HG1      GLU 104  11.136  -4.653  -0.318
  875    H    GLY 105           HN       GLY 105  11.833  -6.550  -1.787
  876   1HA   GLY 105           HA1      GLY 105  11.680  -8.577  -3.490
  877   2HA   GLY 105           HA2      GLY 105  12.813  -9.246  -2.325
  878    H    GLU 106           HN       GLU 106  14.224  -6.923  -1.692
  879    HA   GLU 106           HA       GLU 106  15.175  -5.791  -4.176
  880   1HB   GLU 106           HB2      GLU 106  15.949  -5.244  -1.314
  881   2HB   GLU 106           HB1      GLU 106  16.624  -4.403  -2.701
  882   1HG   GLU 106           HG2      GLU 106  13.729  -4.404  -1.886
  883   2HG   GLU 106           HG1      GLU 106  14.882  -3.100  -1.604
  884    H    ASP 107           HN       ASP 107  17.037  -6.232  -5.165
  885    HA   ASP 107           HA       ASP 107  18.592  -8.503  -4.490
  886   1HB   ASP 107           HB2      ASP 107  18.426  -7.749  -6.793
  887   2HB   ASP 107           HB1      ASP 107  19.137  -6.197  -6.366
  888    H    SER 108           HN       SER 108  18.793  -5.152  -3.738
  889    HA   SER 108           HA       SER 108  21.440  -5.008  -2.837
  890   1HB   SER 108           HB2      SER 108  19.768  -3.116  -3.278
  891   2HB   SER 108           HB1      SER 108  19.142  -3.449  -1.666
  892    HG   SER 108           HG       SER 108  21.032  -2.798  -0.777
  893    H    LEU 109           HN       LEU 109  18.540  -6.223  -1.346
  894    HA   LEU 109           HA       LEU 109  19.341  -6.269   1.332
  895   1HB   LEU 109           HB2      LEU 109  17.547  -8.167  -0.189
  896   2HB   LEU 109           HB1      LEU 109  17.700  -8.135   1.558
  897    HG   LEU 109           HG       LEU 109  16.807  -5.733  -0.018
  898   1HD1  LEU 109          1HD1      LEU 109  15.181  -8.010   1.085
  899   2HD1  LEU 109          3HD1      LEU 109  14.503  -6.415   0.763
  900   3HD1  LEU 109          2HD1      LEU 109  15.187  -7.359  -0.561
  901   1HD2  LEU 109          3HD2      LEU 109  17.624  -5.314   2.236
  902   2HD2  LEU 109          2HD2      LEU 109  15.882  -5.050   2.138
  903   3HD2  LEU 109          1HD2      LEU 109  16.512  -6.524   2.876
  904    H    LYS 110           HN       LYS 110  19.874  -8.531  -1.302
  905    HA   LYS 110           HA       LYS 110  21.180 -10.482   0.354
  906   1HB   LYS 110           HB2      LYS 110  19.881 -11.009  -1.730
  907   2HB   LYS 110           HB1      LYS 110  21.165 -10.254  -2.660
  908   1HG   LYS 110           HG2      LYS 110  22.746 -11.915  -1.903
  909   2HG   LYS 110           HG1      LYS 110  21.520 -12.636  -0.856
  910   1HD   LYS 110           HD2      LYS 110  21.449 -12.488  -3.869
  911   2HD   LYS 110           HD1      LYS 110  21.751 -13.930  -2.898
  912   1HE   LYS 110           HE2      LYS 110  19.494 -13.657  -1.893
  913   2HE   LYS 110           HE1      LYS 110  19.205 -12.318  -3.003
  914   1HZ   LYS 110           HZ1      LYS 110  19.574 -13.893  -4.855
  915   2HZ   LYS 110           HZ3      LYS 110  19.698 -15.157  -3.724
  916   3HZ   LYS 110           HZ2      LYS 110  18.240 -14.302  -3.891
  917    H    LYS 111           HN       LYS 111  22.175  -7.987  -1.956
  918    HA   LYS 111           HA       LYS 111  24.941  -8.685  -1.828
  919   1HB   LYS 111           HB2      LYS 111  23.452  -6.351  -2.978
  920   2HB   LYS 111           HB1      LYS 111  25.209  -6.364  -2.914
  921   1HG   LYS 111           HG2      LYS 111  25.185  -8.489  -4.197
  922   2HG   LYS 111           HG1      LYS 111  23.434  -8.319  -4.353
  923   1HD   LYS 111           HD2      LYS 111  23.702  -6.232  -5.542
  924   2HD   LYS 111           HD1      LYS 111  25.448  -6.280  -5.291
  925   1HE   LYS 111           HE2      LYS 111  24.803  -6.985  -7.558
  926   2HE   LYS 111           HE1      LYS 111  25.630  -8.258  -6.664
  927   1HZ   LYS 111           HZ2      LYS 111  22.673  -8.071  -6.847
  928   2HZ   LYS 111           HZ1      LYS 111  23.617  -8.965  -7.942
  929   3HZ   LYS 111           HZ3      LYS 111  23.603  -9.379  -6.302
  930    H    MET 112           HN       MET 112  22.906  -6.553   0.044
  931    HA   MET 112           HA       MET 112  25.099  -5.036   1.088
  932   1HB   MET 112           HB2      MET 112  22.206  -5.243   1.872
  933   2HB   MET 112           HB1      MET 112  23.358  -4.295   2.808
  934   1HG   MET 112           HG2      MET 112  23.794  -2.858   0.968
  935   2HG   MET 112           HG1      MET 112  22.894  -3.899  -0.141
  936   1HE   MET 112           HE3      MET 112  21.958  -2.808   3.531
  937   2HE   MET 112           HE2      MET 112  22.678  -1.353   2.844
  938   3HE   MET 112           HE1      MET 112  20.955  -1.390   3.222
  939    H    LYS 113           HN       LYS 113  23.207  -7.808   2.252
  940    HA   LYS 113           HA       LYS 113  24.612  -7.893   4.740
  941   1HB   LYS 113           HB2      LYS 113  22.431  -8.931   4.602
  942   2HB   LYS 113           HB1      LYS 113  22.985 -10.022   3.339
  943   1HG   LYS 113           HG2      LYS 113  22.808 -11.075   5.586
  944   2HG   LYS 113           HG1      LYS 113  24.419 -11.180   4.872
  945   1HD   LYS 113           HD2      LYS 113  24.515  -8.816   6.282
  946   2HD   LYS 113           HD1      LYS 113  23.534  -9.858   7.318
  947   1HE   LYS 113           HE2      LYS 113  26.140 -10.772   6.128
  948   2HE   LYS 113           HE1      LYS 113  26.073  -9.895   7.661
  949   1HZ   LYS 113           HZ3      LYS 113  24.608 -12.432   7.125
  950   2HZ   LYS 113           HZ2      LYS 113  26.115 -12.344   7.901
  951   3HZ   LYS 113           HZ1      LYS 113  24.754 -11.630   8.613
  952    H    LEU 114           HN       LEU 114  25.140  -9.353   1.583
  953    HA   LEU 114           HA       LEU 114  27.269 -10.981   2.627
  954   1HB   LEU 114           HB2      LEU 114  25.735 -11.841   0.906
  955   2HB   LEU 114           HB1      LEU 114  26.302 -10.609  -0.207
  956    HG   LEU 114           HG       LEU 114  28.558 -11.594  -0.129
  957   1HD1  LEU 114          1HD1      LEU 114  28.381 -12.554   2.125
  958   2HD1  LEU 114          3HD1      LEU 114  27.239 -13.751   1.517
  959   3HD1  LEU 114          2HD1      LEU 114  28.907 -13.749   0.935
  960   1HD2  LEU 114          2HD2      LEU 114  26.343 -13.515  -0.837
  961   2HD2  LEU 114          1HD2      LEU 114  26.991 -12.244  -1.873
  962   3HD2  LEU 114          3HD2      LEU 114  28.008 -13.608  -1.413
  963    H    MET 115           HN       MET 115  27.012  -8.435   0.123
  964    HA   MET 115           HA       MET 115  29.918  -8.341   0.002
  965   1HB   MET 115           HB2      MET 115  28.808  -8.433  -2.121
  966   2HB   MET 115           HB1      MET 115  27.794  -7.055  -1.709
  967   1HG   MET 115           HG2      MET 115  29.832  -5.647  -1.599
  968   2HG   MET 115           HG1      MET 115  30.773  -7.032  -2.150
  969   1HE   MET 115           HE2      MET 115  27.927  -4.488  -3.060
  970   2HE   MET 115           HE1      MET 115  27.482  -5.015  -4.686
  971   3HE   MET 115           HE3      MET 115  27.137  -6.047  -3.299
  972    H    GLU 116           HN       GLU 116  27.251  -5.977   0.462
  973    HA   GLU 116           HA       GLU 116  28.948  -3.785   0.839
  974   1HB   GLU 116           HB2      GLU 116  26.156  -4.242   1.863
  975   2HB   GLU 116           HB1      GLU 116  26.995  -2.699   1.936
  976   1HG   GLU 116           HG2      GLU 116  26.346  -4.206  -0.587
  977   2HG   GLU 116           HG1      GLU 116  25.436  -2.842   0.051
  978    H    LEU 117           HN       LEU 117  28.094  -6.341   2.911
  979    HA   LEU 117           HA       LEU 117  28.716  -5.122   5.404
  980   1HB   LEU 117           HB2      LEU 117  27.414  -7.334   4.766
  981   2HB   LEU 117           HB1      LEU 117  28.997  -8.058   4.944
  982    HG   LEU 117           HG       LEU 117  27.560  -8.248   6.967
  983   1HD1  LEU 117          3HD1      LEU 117  30.081  -6.638   7.332
  984   2HD1  LEU 117          2HD1      LEU 117  29.264  -7.574   8.584
  985   3HD1  LEU 117          1HD1      LEU 117  29.971  -8.393   7.191
  986   1HD2  LEU 117          2HD2      LEU 117  26.409  -6.110   6.791
  987   2HD2  LEU 117          1HD2      LEU 117  27.197  -6.280   8.359
  988   3HD2  LEU 117          3HD2      LEU 117  27.917  -5.257   7.114
  989    H    ALA 118           HN       ALA 118  30.628  -6.816   2.957
  990    HA   ALA 118           HA       ALA 118  33.047  -6.275   4.422
  991   1HB   ALA 118           HB3      ALA 118  33.782  -8.589   4.500
  992   2HB   ALA 118           HB1      ALA 118  32.273  -9.103   3.740
  993   3HB   ALA 118           HB2      ALA 118  32.254  -8.405   5.363
  994    H    ILE 119           HN       ILE 119  32.194  -5.256   2.003
  995    HA   ILE 119           HA       ILE 119  32.402  -5.240  -0.263
  996    HB   ILE 119           HB       ILE 119  34.829  -4.919  -0.902
  997   1HG1  ILE 119          2HG1      ILE 119  35.209  -5.038   2.096
  998   2HG1  ILE 119          1HG1      ILE 119  35.806  -6.245   0.962
  999   1HG2  ILE 119          2HG2      ILE 119  33.277  -3.113  -0.428
 1000   2HG2  ILE 119          1HG2      ILE 119  33.642  -3.238   1.292
 1001   3HG2  ILE 119          3HG2      ILE 119  34.893  -2.724   0.160
 1002   1HD1  ILE 119          1HD1      ILE 119  37.217  -4.540  -0.089
 1003   2HD1  ILE 119          3HD1      ILE 119  36.632  -3.352   1.076
 1004   3HD1  ILE 119          2HD1      ILE 119  37.575  -4.735   1.628
 1005    H    LEU 120           HN       LEU 120  35.419  -6.985  -0.262
 1006    HA   LEU 120           HA       LEU 120  34.202  -8.930  -2.029
 1007   1HB   LEU 120           HB2      LEU 120  37.046  -8.289  -1.328
 1008   2HB   LEU 120           HB1      LEU 120  36.644  -9.793  -2.134
 1009    HG   LEU 120           HG       LEU 120  37.321  -8.243  -3.816
 1010   1HD1  LEU 120          2HD1      LEU 120  35.404  -9.662  -4.360
 1011   2HD1  LEU 120          1HD1      LEU 120  34.317  -8.373  -3.842
 1012   3HD1  LEU 120          3HD1      LEU 120  35.376  -8.128  -5.230
 1013   1HD2  LEU 120          2HD2      LEU 120  35.272  -6.345  -2.681
 1014   2HD2  LEU 120          1HD2      LEU 120  37.024  -6.176  -2.553
 1015   3HD2  LEU 120          3HD2      LEU 120  36.240  -6.072  -4.130
 1016    H    ASN 121           HN       ASN 121  33.076 -10.343  -0.992
 1017    HA   ASN 121           HA       ASN 121  33.998 -11.608   1.450
 1018   1HB   ASN 121           HB2      ASN 121  31.782 -12.799   1.282
 1019   2HB   ASN 121           HB1      ASN 121  31.657 -11.041   1.346
 1020   1HD2  ASN 121          1HD2      ASN 121  31.021  -9.918  -0.458
 1021   2HD2  ASN 121          2HD2      ASN 121  30.319 -10.682  -1.828
 1022    H    GLY 122           HN       GLY 122  32.811 -14.176   0.970
 1023   1HA   GLY 122           HA1      GLY 122  33.955 -16.178   0.584
 1024   2HA   GLY 122           HA2      GLY 122  35.083 -15.316  -0.447
 1025    H    THR 123           HN       THR 123  32.099 -14.354  -1.417
 1026    HA   THR 123           HA       THR 123  31.949 -16.511  -3.410
 1027    HB   THR 123           HB       THR 123  29.816 -14.556  -2.554
 1028    HG1  THR 123           HG1      THR 123  30.537 -16.715  -1.403
 1029   1HG2  THR 123          2HG2      THR 123  29.850 -16.696  -4.667
 1030   2HG2  THR 123          1HG2      THR 123  28.385 -15.887  -4.093
 1031   3HG2  THR 123          3HG2      THR 123  29.649 -14.961  -4.908
 1032    H    TYR 124           HN       TYR 124  31.591 -12.996  -3.066
 1033    HA   TYR 124           HA       TYR 124  31.772 -11.317  -4.670
 1034   1HB   TYR 124           HB2      TYR 124  34.165 -10.878  -5.050
 1035   2HB   TYR 124           HB1      TYR 124  33.834 -11.341  -3.387
 1036    HD1  TYR 124           HD1      TYR 124  33.875 -14.184  -3.344
 1037    HD2  TYR 124           HD2      TYR 124  36.301 -11.593  -5.664
 1038    HE1  TYR 124           HE1      TYR 124  35.536 -15.944  -3.505
 1039    HE2  TYR 124           HE2      TYR 124  38.015 -13.353  -5.832
 1040    HH   TYR 124           HH       TYR 124  37.429 -16.563  -5.115
 1041    H    ARG 125           HN       ARG 125  34.362 -12.664  -6.407
 1042    HA   ARG 125           HA       ARG 125  34.737 -12.921  -8.613
 1043   1HB   ARG 125           HB2      ARG 125  33.228 -14.875  -8.385
 1044   2HB   ARG 125           HB1      ARG 125  31.855 -13.837  -8.751
 1045   1HG   ARG 125           HG2      ARG 125  32.534 -15.110 -10.704
 1046   2HG   ARG 125           HG1      ARG 125  32.776 -13.382 -10.962
 1047   1HD   ARG 125           HD2      ARG 125  35.169 -13.688 -10.353
 1048   2HD   ARG 125           HD1      ARG 125  34.885 -15.427 -10.273
 1049    HE   ARG 125           HE       ARG 125  34.077 -14.279 -12.774
 1050   1HH1  ARG 125          1HH1      ARG 125  36.823 -15.517 -10.991
 1051   2HH1  ARG 125          2HH1      ARG 125  37.719 -15.947 -12.411
 1052   1HH2  ARG 125          1HH2      ARG 125  35.232 -14.817 -14.634
 1053   2HH2  ARG 125          2HH2      ARG 125  36.816 -15.527 -14.509
 1054    H    ASP 126           HN       ASP 126  31.453 -11.713  -8.242
 1055    HA   ASP 126           HA       ASP 126  31.359 -10.092 -10.503
 1056   1HB   ASP 126           HB2      ASP 126  29.435 -10.881  -9.133
 1057   2HB   ASP 126           HB1      ASP 126  29.911  -9.749  -7.867
 1058    H    ALA 127           HN       ALA 127  31.805  -9.085  -7.108
 1059    HA   ALA 127           HA       ALA 127  32.292  -6.379  -7.893
 1060   1HB   ALA 127           HB2      ALA 127  32.585  -5.947  -5.507
 1061   2HB   ALA 127           HB1      ALA 127  31.119  -6.878  -5.819
 1062   3HB   ALA 127           HB3      ALA 127  32.558  -7.682  -5.189
 1063    H    ASN 128           HN       ASN 128  34.195  -9.061  -7.892
 1064    HA   ASN 128           HA       ASN 128  36.611  -8.066  -6.771
 1065   1HB   ASN 128           HB2      ASN 128  36.209 -10.434  -6.871
 1066   2HB   ASN 128           HB1      ASN 128  36.037 -10.385  -8.624
 1067   1HD2  ASN 128          1HD2      ASN 128  37.829 -10.518  -9.885
 1068   2HD2  ASN 128          2HD2      ASN 128  39.436 -10.682  -9.269
 1069    H    LEU 129           HN       LEU 129  35.097  -7.767  -9.875
 1070    HA   LEU 129           HA       LEU 129  37.501  -6.371 -10.851
 1071   1HB   LEU 129           HB2      LEU 129  35.176  -7.504 -12.413
 1072   2HB   LEU 129           HB1      LEU 129  36.468  -6.553 -13.110
 1073    HG   LEU 129           HG       LEU 129  38.022  -8.382 -12.158
 1074   1HD1  LEU 129          2HD1      LEU 129  35.408  -9.872 -12.249
 1075   2HD1  LEU 129          1HD1      LEU 129  37.002 -10.602 -12.062
 1076   3HD1  LEU 129          3HD1      LEU 129  36.366  -9.539 -10.806
 1077   1HD2  LEU 129          3HD2      LEU 129  36.207  -8.915 -14.496
 1078   2HD2  LEU 129          2HD2      LEU 129  37.690  -7.962 -14.522
 1079   3HD2  LEU 129          1HD2      LEU 129  37.761  -9.695 -14.202
 1080    H    LYS 130           HN       LYS 130  34.793  -5.737  -9.263
 1081    HA   LYS 130           HA       LYS 130  34.091  -3.326 -10.760
 1082   1HB   LYS 130           HB2      LYS 130  32.275  -4.978 -10.323
 1083   2HB   LYS 130           HB1      LYS 130  32.521  -4.745  -8.601
 1084   1HG   LYS 130           HG2      LYS 130  30.584  -3.509  -9.456
 1085   2HG   LYS 130           HG1      LYS 130  31.809  -2.445  -8.764
 1086   1HD   LYS 130           HD2      LYS 130  32.622  -1.895 -10.987
 1087   2HD   LYS 130           HD1      LYS 130  31.463  -3.012 -11.710
 1088   1HE   LYS 130           HE2      LYS 130  30.699  -0.629 -10.034
 1089   2HE   LYS 130           HE1      LYS 130  30.786  -0.609 -11.794
 1090   1HZ   LYS 130           HZ2      LYS 130  29.087  -2.532 -10.307
 1091   2HZ   LYS 130           HZ1      LYS 130  28.528  -1.007 -10.787
 1092   3HZ   LYS 130           HZ3      LYS 130  29.022  -2.131 -11.954
 1093    H    SER 131           HN       SER 131  36.099  -4.189  -8.398
 1094    HA   SER 131           HA       SER 131  35.470  -2.409  -6.280
 1095   1HB   SER 131           HB2      SER 131  38.134  -3.644  -7.007
 1096   2HB   SER 131           HB1      SER 131  37.706  -2.938  -5.449
 1097    HG   SER 131           HG       SER 131  35.973  -4.892  -6.354
 1098    HA   PRO 132           HA       PRO 132  36.983   1.320  -8.268
 1099   1HB   PRO 132           HB2      PRO 132  36.408   2.631  -5.729
 1100   2HB   PRO 132           HB1      PRO 132  35.619   2.846  -7.293
 1101   1HG   PRO 132           HG2      PRO 132  34.393   1.672  -5.177
 1102   2HG   PRO 132           HG1      PRO 132  34.028   1.249  -6.860
 1103   1HD   PRO 132           HD2      PRO 132  35.762  -0.187  -4.879
 1104   2HD   PRO 132           HD1      PRO 132  34.599  -0.849  -6.049
 1105    H    ALA 133           HN       ALA 133  38.870   2.429  -8.194
 1106    HA   ALA 133           HA       ALA 133  40.878   3.227  -7.535
 1107   1HB   ALA 133           HB2      ALA 133  39.880   3.852  -5.394
 1108   2HB   ALA 133           HB1      ALA 133  40.225   2.240  -4.769
 1109   3HB   ALA 133           HB3      ALA 133  41.549   3.319  -5.206
 1110    H    LEU 134           HN       LEU 134  40.144   0.087  -6.188
 1111    HA   LEU 134           HA       LEU 134  41.231  -1.906  -6.195
 1112   1HB   LEU 134           HB2      LEU 134  42.804  -0.622  -8.429
 1113   2HB   LEU 134           HB1      LEU 134  42.944  -2.307  -7.968
 1114    HG   LEU 134           HG       LEU 134  40.400  -1.022  -8.967
 1115   1HD1  LEU 134          2HD1      LEU 134  42.382  -2.781 -10.403
 1116   2HD1  LEU 134          1HD1      LEU 134  40.825  -2.248 -11.038
 1117   3HD1  LEU 134          3HD1      LEU 134  42.093  -1.069 -10.711
 1118   1HD2  LEU 134          2HD2      LEU 134  41.136  -3.905  -8.464
 1119   2HD2  LEU 134          1HD2      LEU 134  40.009  -2.936  -7.515
 1120   3HD2  LEU 134          3HD2      LEU 134  39.631  -3.340  -9.190

  No H/Q in entry =        1120
  Start of MODEL    4
    1    H1   GLN   1           HT3      GLN   1 -11.610  13.760 -12.188
    2    H2   GLN   1           HT2      GLN   1 -12.240  15.191 -11.538
    3    H3   GLN   1           HT1      GLN   1 -10.939  15.251 -12.625
    4    HA   GLN   1           HA       GLN   1 -10.127  15.610 -10.419
    5   1HB   GLN   1           HB2      GLN   1 -10.473  14.073  -8.642
    6   2HB   GLN   1           HB1      GLN   1 -12.054  14.325  -9.364
    7   1HG   GLN   1           HG2      GLN   1 -11.279  12.173 -10.752
    8   2HG   GLN   1           HG1      GLN   1 -10.366  11.920  -9.272
    9   1HE2  GLN   1          1HE2      GLN   1 -11.465  11.547  -7.343
   10   2HE2  GLN   1          2HE2      GLN   1 -13.142  11.123  -7.306
   11    H    LEU   2           HN       LEU   2  -8.253  14.225  -9.422
   12    HA   LEU   2           HA       LEU   2  -7.097  12.622 -11.596
   13   1HB   LEU   2           HB2      LEU   2  -5.593  14.319 -11.587
   14   2HB   LEU   2           HB1      LEU   2  -6.047  14.851  -9.981
   15    HG   LEU   2           HG       LEU   2  -4.717  12.950  -9.065
   16   1HD1  LEU   2          1HD1      LEU   2  -3.711  12.767 -11.907
   17   2HD1  LEU   2          3HD1      LEU   2  -3.001  11.949 -10.515
   18   3HD1  LEU   2          2HD1      LEU   2  -4.631  11.530 -11.046
   19   1HD2  LEU   2          1HD2      LEU   2  -3.868  15.226  -9.089
   20   2HD2  LEU   2          3HD2      LEU   2  -2.566  14.071  -9.372
   21   3HD2  LEU   2          2HD2      LEU   2  -3.238  14.988 -10.720
   22    H    GLN   3           HN       GLN   3  -6.512  10.597 -11.068
   23    HA   GLN   3           HA       GLN   3  -6.289   9.923  -8.208
   24   1HB   GLN   3           HB2      GLN   3  -7.296   7.837 -10.084
   25   2HB   GLN   3           HB1      GLN   3  -7.643   8.062  -8.371
   26   1HG   GLN   3           HG2      GLN   3  -9.061  10.038  -9.061
   27   2HG   GLN   3           HG1      GLN   3  -8.867   9.484 -10.724
   28   1HE2  GLN   3          1HE2      GLN   3  -8.820   6.658  -9.776
   29   2HE2  GLN   3          2HE2      GLN   3 -10.463   6.252  -9.424
   30    H    GLU   4           HN       GLU   4  -4.431   8.829  -7.730
   31    HA   GLU   4           HA       GLU   4  -3.080   7.486  -9.981
   32   1HB   GLU   4           HB2      GLU   4  -1.566   8.053  -7.485
   33   2HB   GLU   4           HB1      GLU   4  -1.007   8.021  -9.150
   34   1HG   GLU   4           HG2      GLU   4  -2.420  10.185  -9.393
   35   2HG   GLU   4           HG1      GLU   4  -2.309  10.223  -7.631
   36    H    LYS   5           HN       LYS   5  -3.139   5.339  -9.875
   37    HA   LYS   5           HA       LYS   5  -4.056   4.181  -7.332
   38   1HB   LYS   5           HB2      LYS   5  -4.202   2.776  -9.983
   39   2HB   LYS   5           HB1      LYS   5  -5.087   2.425  -8.520
   40   1HG   LYS   5           HG2      LYS   5  -6.635   3.365 -10.042
   41   2HG   LYS   5           HG1      LYS   5  -6.294   4.594  -8.814
   42   1HD   LYS   5           HD2      LYS   5  -4.991   5.869 -10.283
   43   2HD   LYS   5           HD1      LYS   5  -4.800   4.527 -11.420
   44   1HE   LYS   5           HE2      LYS   5  -7.493   5.719 -10.846
   45   2HE   LYS   5           HE1      LYS   5  -6.410   6.432 -12.043
   46   1HZ   LYS   5           HZ2      LYS   5  -6.360   4.311 -13.203
   47   2HZ   LYS   5           HZ1      LYS   5  -7.411   3.628 -12.063
   48   3HZ   LYS   5           HZ3      LYS   5  -7.949   4.885 -13.070
   49    H    LEU   6           HN       LEU   6  -2.598   3.181  -6.240
   50    HA   LEU   6           HA       LEU   6  -0.247   2.158  -7.651
   51   1HB   LEU   6           HB2      LEU   6  -0.650   2.414  -4.677
   52   2HB   LEU   6           HB1      LEU   6   0.868   2.245  -5.547
   53    HG   LEU   6           HG       LEU   6  -0.964   4.638  -5.813
   54   1HD1  LEU   6          2HD1      LEU   6  -0.064   4.437  -3.531
   55   2HD1  LEU   6          1HD1      LEU   6   1.569   4.390  -4.195
   56   3HD1  LEU   6          3HD1      LEU   6   0.577   5.837  -4.393
   57   1HD2  LEU   6          2HD2      LEU   6   0.513   4.197  -7.732
   58   2HD2  LEU   6          1HD2      LEU   6   0.938   5.687  -6.887
   59   3HD2  LEU   6          3HD2      LEU   6   1.905   4.232  -6.651
   60    H    TYR   7           HN       TYR   7  -0.723   0.227  -8.434
   61    HA   TYR   7           HA       TYR   7  -2.536  -1.569  -7.127
   62   1HB   TYR   7           HB2      TYR   7  -1.187  -1.399  -9.720
   63   2HB   TYR   7           HB1      TYR   7  -1.356  -3.047  -9.107
   64    HD1  TYR   7           HD1      TYR   7  -3.573  -4.022  -8.773
   65    HD2  TYR   7           HD2      TYR   7  -3.101  -0.087 -10.311
   66    HE1  TYR   7           HE1      TYR   7  -5.916  -4.048  -9.532
   67    HE2  TYR   7           HE2      TYR   7  -5.441  -0.094 -11.064
   68    HH   TYR   7           HH       TYR   7  -7.693  -2.487 -10.125
   69    H    VAL   8           HN       VAL   8  -2.109  -3.063  -5.717
   70    HA   VAL   8           HA       VAL   8   0.643  -4.074  -5.516
   71    HB   VAL   8           HB       VAL   8   0.110  -2.435  -3.734
   72   1HG1  VAL   8          2HG1      VAL   8  -2.263  -2.852  -3.473
   73   2HG1  VAL   8          1HG1      VAL   8  -1.924  -4.465  -2.832
   74   3HG1  VAL   8          3HG1      VAL   8  -1.417  -3.031  -1.932
   75   1HG2  VAL   8          2HG2      VAL   8   0.582  -5.268  -2.874
   76   2HG2  VAL   8          1HG2      VAL   8   1.792  -4.102  -3.407
   77   3HG2  VAL   8          3HG2      VAL   8   0.920  -3.838  -1.898
   78    HA   PRO   9           HA       PRO   9  -1.776  -7.472  -6.712
   79   1HB   PRO   9           HB2      PRO   9   0.179  -9.315  -6.966
   80   2HB   PRO   9           HB1      PRO   9  -0.023  -7.972  -8.101
   81   1HG   PRO   9           HG2      PRO   9   1.866  -8.245  -5.792
   82   2HG   PRO   9           HG1      PRO   9   2.183  -7.622  -7.427
   83   1HD   PRO   9           HD2      PRO   9   1.754  -5.991  -5.293
   84   2HD   PRO   9           HD1      PRO   9   1.287  -5.544  -6.947
   85    H    VAL  10           HN       VAL  10  -3.041  -7.872  -4.952
   86    HA   VAL  10           HA       VAL  10  -2.185  -9.256  -2.633
   87    HB   VAL  10           HB       VAL  10  -4.263  -7.890  -2.826
   88   1HG1  VAL  10          3HG1      VAL  10  -5.313 -10.286  -4.296
   89   2HG1  VAL  10          2HG1      VAL  10  -6.299  -8.957  -3.686
   90   3HG1  VAL  10          1HG1      VAL  10  -5.094  -8.660  -4.939
   91   1HG2  VAL  10          2HG2      VAL  10  -3.897  -9.360  -0.921
   92   2HG2  VAL  10          1HG2      VAL  10  -5.609  -9.299  -1.346
   93   3HG2  VAL  10          3HG2      VAL  10  -4.637 -10.698  -1.804
   94    H    LYS  11           HN       LYS  11  -3.024 -10.191  -5.805
   95    HA   LYS  11           HA       LYS  11  -3.486 -12.946  -5.459
   96   1HB   LYS  11           HB2      LYS  11  -2.245 -11.417  -7.754
   97   2HB   LYS  11           HB1      LYS  11  -2.695 -13.114  -7.830
   98   1HG   LYS  11           HG2      LYS  11  -5.014 -12.542  -7.481
   99   2HG   LYS  11           HG1      LYS  11  -4.592 -10.843  -7.301
  100   1HD   LYS  11           HD2      LYS  11  -4.025 -10.615  -9.551
  101   2HD   LYS  11           HD1      LYS  11  -3.852 -12.355  -9.781
  102   1HE   LYS  11           HE2      LYS  11  -5.907 -11.296 -10.796
  103   2HE   LYS  11           HE1      LYS  11  -6.188 -12.688  -9.753
  104   1HZ   LYS  11           HZ2      LYS  11  -6.345  -9.921  -8.717
  105   2HZ   LYS  11           HZ1      LYS  11  -7.678 -10.680  -9.452
  106   3HZ   LYS  11           HZ3      LYS  11  -6.988 -11.342  -8.052
  107    H    GLU  12           HN       GLU  12  -0.632 -10.976  -5.638
  108    HA   GLU  12           HA       GLU  12   1.243 -13.113  -5.829
  109   1HB   GLU  12           HB2      GLU  12   1.451 -10.179  -5.212
  110   2HB   GLU  12           HB1      GLU  12   2.846 -11.251  -5.145
  111   1HG   GLU  12           HG2      GLU  12   1.129 -10.725  -7.555
  112   2HG   GLU  12           HG1      GLU  12   2.777 -10.157  -7.288
  113    H    TYR  13           HN       TYR  13  -0.133 -11.181  -3.263
  114    HA   TYR  13           HA       TYR  13   1.293 -12.847  -1.297
  115   1HB   TYR  13           HB2      TYR  13   0.476  -9.981  -0.832
  116   2HB   TYR  13           HB1      TYR  13   1.598 -10.962   0.110
  117    HD1  TYR  13           HD1      TYR  13   3.833 -11.475  -0.783
  118    HD2  TYR  13           HD2      TYR  13   1.195  -8.819  -2.791
  119    HE1  TYR  13           HE1      TYR  13   5.724 -10.601  -2.071
  120    HE2  TYR  13           HE2      TYR  13   3.084  -7.927  -4.100
  121    HH   TYR  13           HH       TYR  13   6.091  -9.448  -4.258
  122    HA   PRO  14           HA       PRO  14  -3.264 -13.349  -0.803
  123   1HB   PRO  14           HB2      PRO  14  -3.162 -15.993  -0.178
  124   2HB   PRO  14           HB1      PRO  14  -3.201 -15.395  -1.841
  125   1HG   PRO  14           HG2      PRO  14  -0.871 -16.323  -0.211
  126   2HG   PRO  14           HG1      PRO  14  -1.240 -16.636  -1.918
  127   1HD   PRO  14           HD2      PRO  14   0.563 -14.773  -1.116
  128   2HD   PRO  14           HD1      PRO  14  -0.397 -14.609  -2.600
  129    H    ASP  15           HN       ASP  15  -0.534 -14.113   1.207
  130    HA   ASP  15           HA       ASP  15  -2.234 -14.343   3.572
  131   1HB   ASP  15           HB2      ASP  15   0.743 -14.776   3.266
  132   2HB   ASP  15           HB1      ASP  15  -0.169 -15.017   4.752
  133    H    PHE  16           HN       PHE  16  -0.462 -11.991   1.907
  134    HA   PHE  16           HA       PHE  16  -0.072 -10.407   4.337
  135   1HB   PHE  16           HB2      PHE  16   1.769 -10.589   2.583
  136   2HB   PHE  16           HB1      PHE  16   0.745  -9.554   1.575
  137    HD1  PHE  16           HD1      PHE  16   2.655  -9.728   4.720
  138    HD2  PHE  16           HD2      PHE  16   0.536  -7.236   2.007
  139    HE1  PHE  16           HE1      PHE  16   3.545  -7.747   5.859
  140    HE2  PHE  16           HE2      PHE  16   1.429  -5.241   3.136
  141    HZ   PHE  16           HZ       PHE  16   2.889  -5.503   5.114
  142    H    ASN  17           HN       ASN  17  -1.801  -9.379   4.964
  143    HA   ASN  17           HA       ASN  17  -3.796  -8.577   3.026
  144   1HB   ASN  17           HB2      ASN  17  -4.987  -7.742   5.152
  145   2HB   ASN  17           HB1      ASN  17  -4.839  -9.471   4.901
  146   1HD2  ASN  17          1HD2      ASN  17  -2.476  -7.118   6.186
  147   2HD2  ASN  17          2HD2      ASN  17  -2.291  -7.912   7.713
  148    H    PHE  18           HN       PHE  18  -2.998  -6.887   1.866
  149    HA   PHE  18           HA       PHE  18  -1.526  -4.767   2.905
  150   1HB   PHE  18           HB2      PHE  18  -3.329  -4.826   0.482
  151   2HB   PHE  18           HB1      PHE  18  -2.204  -3.518   0.863
  152    HD1  PHE  18           HD1      PHE  18   0.215  -4.366   1.445
  153    HD2  PHE  18           HD2      PHE  18  -2.564  -6.452  -1.011
  154    HE1  PHE  18           HE1      PHE  18   2.066  -5.557   0.385
  155    HE2  PHE  18           HE2      PHE  18  -0.696  -7.664  -2.102
  156    HZ   PHE  18           HZ       PHE  18   1.614  -7.191  -1.404
  157    H    VAL  19           HN       VAL  19  -5.054  -5.092   2.645
  158    HA   VAL  19           HA       VAL  19  -5.630  -2.533   3.659
  159    HB   VAL  19           HB       VAL  19  -7.835  -3.636   4.326
  160   1HG1  VAL  19          1HG1      VAL  19  -7.505  -2.322   2.294
  161   2HG1  VAL  19          3HG1      VAL  19  -6.933  -3.766   1.456
  162   3HG1  VAL  19          2HG1      VAL  19  -8.605  -3.672   2.013
  163   1HG2  VAL  19          1HG2      VAL  19  -7.039  -5.930   4.494
  164   2HG2  VAL  19          3HG2      VAL  19  -8.305  -5.801   3.274
  165   3HG2  VAL  19          2HG2      VAL  19  -6.616  -5.918   2.782
  166    H    GLY  20           HN       GLY  20  -5.256  -5.677   5.267
  167   1HA   GLY  20           HA1      GLY  20  -4.863  -6.194   7.476
  168   2HA   GLY  20           HA2      GLY  20  -5.683  -4.696   7.895
  169    H    ARG  21           HN       ARG  21  -3.172  -4.220   5.735
  170    HA   ARG  21           HA       ARG  21  -1.146  -3.786   7.798
  171   1HB   ARG  21           HB2      ARG  21   0.021  -4.855   6.173
  172   2HB   ARG  21           HB1      ARG  21  -1.152  -4.455   4.930
  173   1HG   ARG  21           HG2      ARG  21   0.608  -3.279   4.139
  174   2HG   ARG  21           HG1      ARG  21  -0.057  -2.053   5.215
  175   1HD   ARG  21           HD2      ARG  21   2.220  -3.926   5.812
  176   2HD   ARG  21           HD1      ARG  21   2.338  -2.214   5.476
  177    HE   ARG  21           HE       ARG  21   0.923  -1.974   7.594
  178   1HH1  ARG  21          1HH1      ARG  21   3.201  -4.559   7.042
  179   2HH1  ARG  21          2HH1      ARG  21   3.622  -4.745   8.714
  180   1HH2  ARG  21          1HH2      ARG  21   1.477  -2.187   9.823
  181   2HH2  ARG  21          2HH2      ARG  21   2.640  -3.385  10.301
  182    H    ILE  22           HN       ILE  22  -2.916  -2.160   5.235
  183    HA   ILE  22           HA       ILE  22  -1.603   0.365   5.720
  184    HB   ILE  22           HB       ILE  22  -3.855  -0.377   3.851
  185   1HG1  ILE  22          2HG1      ILE  22  -1.807  -1.423   3.165
  186   2HG1  ILE  22          1HG1      ILE  22  -2.087  -0.049   2.100
  187   1HG2  ILE  22          1HG2      ILE  22  -4.004   1.970   4.466
  188   2HG2  ILE  22          3HG2      ILE  22  -2.317   2.206   4.006
  189   3HG2  ILE  22          2HG2      ILE  22  -3.514   1.777   2.784
  190   1HD1  ILE  22          3HD1      ILE  22  -0.500   1.261   3.505
  191   2HD1  ILE  22          2HD1      ILE  22  -0.139  -0.222   4.382
  192   3HD1  ILE  22          1HD1      ILE  22   0.226  -0.108   2.661
  193    H    LEU  23           HN       LEU  23  -4.916  -0.919   5.991
  194    HA   LEU  23           HA       LEU  23  -5.669   1.494   7.484
  195   1HB   LEU  23           HB2      LEU  23  -7.498  -0.728   6.552
  196   2HB   LEU  23           HB1      LEU  23  -7.967   0.853   7.137
  197    HG   LEU  23           HG       LEU  23  -8.302   1.004   4.852
  198   1HD1  LEU  23          3HD1      LEU  23  -5.506   2.020   5.301
  199   2HD1  LEU  23          2HD1      LEU  23  -6.570   2.491   3.975
  200   3HD1  LEU  23          1HD1      LEU  23  -7.005   2.892   5.638
  201   1HD2  LEU  23          1HD2      LEU  23  -5.682  -0.428   4.441
  202   2HD2  LEU  23          3HD2      LEU  23  -7.299  -1.099   4.208
  203   3HD2  LEU  23          2HD2      LEU  23  -6.721   0.196   3.159
  204    H    GLY  24           HN       GLY  24  -4.972  -1.842   7.820
  205   1HA   GLY  24           HA1      GLY  24  -4.772  -3.175   9.670
  206   2HA   GLY  24           HA2      GLY  24  -6.452  -2.737   9.934
  207    HA   PRO  25           HA       PRO  25  -3.911  -0.606  13.239
  208   1HB   PRO  25           HB2      PRO  25  -1.306  -0.083  12.947
  209   2HB   PRO  25           HB1      PRO  25  -1.891  -1.729  13.210
  210   1HG   PRO  25           HG2      PRO  25  -0.913  -0.442  10.714
  211   2HG   PRO  25           HG1      PRO  25  -0.780  -2.128  11.242
  212   1HD   PRO  25           HD2      PRO  25  -2.676  -1.059   9.436
  213   2HD   PRO  25           HD1      PRO  25  -2.689  -2.680  10.156
  214    H    ARG  26           HN       ARG  26  -3.491   0.742  10.078
  215    HA   ARG  26           HA       ARG  26  -3.190   3.424  11.239
  216   1HB   ARG  26           HB2      ARG  26  -1.957   2.288   8.737
  217   2HB   ARG  26           HB1      ARG  26  -2.020   4.014   9.066
  218   1HG   ARG  26           HG2      ARG  26  -0.783   3.605  11.175
  219   2HG   ARG  26           HG1      ARG  26  -0.620   1.913  10.703
  220   1HD   ARG  26           HD2      ARG  26   1.391   3.146  10.142
  221   2HD   ARG  26           HD1      ARG  26   0.576   2.606   8.676
  222    HE   ARG  26           HE       ARG  26  -0.373   5.002   8.716
  223   1HH1  ARG  26          1HH1      ARG  26   2.819   4.103   9.828
  224   2HH1  ARG  26          2HH1      ARG  26   3.545   5.623   9.398
  225   1HH2  ARG  26          1HH2      ARG  26   0.558   6.995   8.133
  226   2HH2  ARG  26          2HH2      ARG  26   2.247   7.280   8.440
  227    H    GLY  27           HN       GLY  27  -5.730   2.145  10.599
  228   1HA   GLY  27           HA1      GLY  27  -7.747   2.891   9.756
  229   2HA   GLY  27           HA2      GLY  27  -6.875   3.126   8.244
  230    H    LEU  28           HN       LEU  28  -6.273   4.690  11.307
  231    HA   LEU  28           HA       LEU  28  -7.507   7.148  10.876
  232   1HB   LEU  28           HB2      LEU  28  -6.512   6.435  13.016
  233   2HB   LEU  28           HB1      LEU  28  -4.910   6.585  12.320
  234    HG   LEU  28           HG       LEU  28  -5.302   9.021  12.028
  235   1HD1  LEU  28          1HD1      LEU  28  -7.737   8.987  11.913
  236   2HD1  LEU  28          3HD1      LEU  28  -7.815   8.480  13.601
  237   3HD1  LEU  28          2HD1      LEU  28  -7.172  10.069  13.186
  238   1HD2  LEU  28          3HD2      LEU  28  -5.626   7.956  14.828
  239   2HD2  LEU  28          2HD2      LEU  28  -4.103   8.199  13.970
  240   3HD2  LEU  28          1HD2      LEU  28  -5.103   9.588  14.406
  241    H    THR  29           HN       THR  29  -4.445   5.886   9.757
  242    HA   THR  29           HA       THR  29  -3.296   8.222   8.768
  243    HB   THR  29           HB       THR  29  -2.719   5.445   8.733
  244    HG1  THR  29           HG1      THR  29  -1.289   6.967   9.482
  245   1HG2  THR  29          2HG2      THR  29  -2.504   6.717   6.010
  246   2HG2  THR  29          1HG2      THR  29  -1.560   5.312   6.507
  247   3HG2  THR  29          3HG2      THR  29  -3.321   5.211   6.449
  248    H    ALA  30           HN       ALA  30  -5.564   5.960   7.240
  249    HA   ALA  30           HA       ALA  30  -5.496   7.099   4.665
  250   1HB   ALA  30           HB1      ALA  30  -6.513   4.922   5.088
  251   2HB   ALA  30           HB2      ALA  30  -7.667   6.008   4.314
  252   3HB   ALA  30           HB3      ALA  30  -7.784   5.685   6.044
  253    H    LYS  31           HN       LYS  31  -7.495   7.741   7.492
  254    HA   LYS  31           HA       LYS  31  -9.086   9.755   6.299
  255   1HB   LYS  31           HB2      LYS  31  -8.440   9.046   9.152
  256   2HB   LYS  31           HB1      LYS  31  -9.482  10.401   8.752
  257   1HG   LYS  31           HG2      LYS  31  -9.967   7.527   8.001
  258   2HG   LYS  31           HG1      LYS  31 -10.770   8.414   9.299
  259   1HD   LYS  31           HD2      LYS  31 -11.548  10.051   7.548
  260   2HD   LYS  31           HD1      LYS  31 -10.951   8.916   6.334
  261   1HE   LYS  31           HE2      LYS  31 -13.328   8.601   6.677
  262   2HE   LYS  31           HE1      LYS  31 -12.441   7.188   7.247
  263   1HZ   LYS  31           HZ2      LYS  31 -13.418   9.384   8.992
  264   2HZ   LYS  31           HZ1      LYS  31 -14.207   7.894   8.779
  265   3HZ   LYS  31           HZ3      LYS  31 -12.672   7.949   9.503
  266    H    GLN  32           HN       GLN  32  -6.007   9.832   8.022
  267    HA   GLN  32           HA       GLN  32  -5.946  12.634   8.410
  268   1HB   GLN  32           HB2      GLN  32  -3.644  10.687   8.175
  269   2HB   GLN  32           HB1      GLN  32  -3.500  12.351   8.720
  270   1HG   GLN  32           HG2      GLN  32  -4.930  10.087  10.080
  271   2HG   GLN  32           HG1      GLN  32  -3.506  10.963  10.639
  272   1HE2  GLN  32          1HE2      GLN  32  -6.944  11.054  10.208
  273   2HE2  GLN  32          2HE2      GLN  32  -7.245  12.422  11.221
  274    H    LEU  33           HN       LEU  33  -4.769  10.542   5.838
  275    HA   LEU  33           HA       LEU  33  -3.418  12.534   4.381
  276   1HB   LEU  33           HB2      LEU  33  -4.509   9.824   3.759
  277   2HB   LEU  33           HB1      LEU  33  -3.983  10.845   2.437
  278    HG   LEU  33           HG       LEU  33  -1.734  10.862   3.218
  279   1HD1  LEU  33          3HD1      LEU  33  -2.729   9.471   5.695
  280   2HD1  LEU  33          2HD1      LEU  33  -1.032   9.729   5.283
  281   3HD1  LEU  33          1HD1      LEU  33  -2.085  11.109   5.589
  282   1HD2  LEU  33          2HD2      LEU  33  -2.861   8.086   3.504
  283   2HD2  LEU  33          1HD2      LEU  33  -2.376   8.866   2.000
  284   3HD2  LEU  33          3HD2      LEU  33  -1.166   8.484   3.225
  285    H    GLU  34           HN       GLU  34  -6.801  11.392   4.158
  286    HA   GLU  34           HA       GLU  34  -7.280  13.112   1.917
  287   1HB   GLU  34           HB2      GLU  34  -9.720  12.626   2.387
  288   2HB   GLU  34           HB1      GLU  34  -8.695  11.263   1.973
  289   1HG   GLU  34           HG2      GLU  34  -8.561  10.668   4.352
  290   2HG   GLU  34           HG1      GLU  34  -9.609  12.033   4.737
  291    H    ALA  35           HN       ALA  35  -7.862  13.333   5.367
  292    HA   ALA  35           HA       ALA  35  -9.311  15.746   5.296
  293   1HB   ALA  35           HB1      ALA  35  -8.844  15.898   7.688
  294   2HB   ALA  35           HB3      ALA  35  -9.327  14.265   7.236
  295   3HB   ALA  35           HB2      ALA  35  -7.630  14.631   7.535
  296    H    GLU  36           HN       GLU  36  -5.861  15.048   5.521
  297    HA   GLU  36           HA       GLU  36  -5.252  17.853   5.955
  298   1HB   GLU  36           HB2      GLU  36  -3.534  15.383   5.864
  299   2HB   GLU  36           HB1      GLU  36  -2.869  17.003   6.025
  300   1HG   GLU  36           HG2      GLU  36  -4.838  15.748   7.922
  301   2HG   GLU  36           HG1      GLU  36  -3.094  15.840   8.174
  302    H    THR  37           HN       THR  37  -4.507  15.399   3.432
  303    HA   THR  37           HA       THR  37  -2.957  17.362   2.018
  304    HB   THR  37           HB       THR  37  -2.421  15.694   0.399
  305    HG1  THR  37           HG1      THR  37  -4.297  13.939   1.630
  306   1HG2  THR  37          2HG2      THR  37  -1.268  15.488   2.550
  307   2HG2  THR  37          1HG2      THR  37  -2.544  14.420   3.135
  308   3HG2  THR  37          3HG2      THR  37  -1.505  13.909   1.802
  309    H    GLY  38           HN       GLY  38  -6.231  16.378   2.015
  310   1HA   GLY  38           HA1      GLY  38  -6.817  18.029  -0.309
  311   2HA   GLY  38           HA2      GLY  38  -7.996  17.269   0.755
  312    H    CYS  39           HN       CYS  39  -5.809  14.974   0.125
  313    HA   CYS  39           HA       CYS  39  -7.185  14.008  -2.270
  314   1HB   CYS  39           HB2      CYS  39  -4.758  14.207  -2.491
  315   2HB   CYS  39           HB1      CYS  39  -4.543  13.173  -1.084
  316    HG   CYS  39           HG       CYS  39  -4.583  12.266  -4.134
  317    H    LYS  40           HN       LYS  40  -8.506  12.357  -2.125
  318    HA   LYS  40           HA       LYS  40  -8.805  11.164   0.525
  319   1HB   LYS  40           HB2      LYS  40 -10.722  12.144  -0.959
  320   2HB   LYS  40           HB1      LYS  40 -10.558  10.658  -1.880
  321   1HG   LYS  40           HG2      LYS  40 -11.172  10.767   1.068
  322   2HG   LYS  40           HG1      LYS  40 -12.387  10.640  -0.198
  323   1HD   LYS  40           HD2      LYS  40 -11.161   8.541  -0.946
  324   2HD   LYS  40           HD1      LYS  40 -10.279   8.643   0.579
  325   1HE   LYS  40           HE2      LYS  40 -13.264   8.344   0.214
  326   2HE   LYS  40           HE1      LYS  40 -12.145   7.139   0.849
  327   1HZ   LYS  40           HZ2      LYS  40 -12.770   9.748   2.134
  328   2HZ   LYS  40           HZ1      LYS  40 -13.373   8.243   2.623
  329   3HZ   LYS  40           HZ3      LYS  40 -11.712   8.583   2.749
  330    H    ILE  41           HN       ILE  41  -7.020   9.809   0.540
  331    HA   ILE  41           HA       ILE  41  -6.581   8.051  -1.687
  332    HB   ILE  41           HB       ILE  41  -4.641   8.756  -0.472
  333   1HG1  ILE  41          2HG1      ILE  41  -5.208   5.835   0.077
  334   2HG1  ILE  41          1HG1      ILE  41  -4.569   6.503  -1.422
  335   1HG2  ILE  41          2HG2      ILE  41  -5.671   9.166   1.709
  336   2HG2  ILE  41          1HG2      ILE  41  -5.833   7.427   1.964
  337   3HG2  ILE  41          3HG2      ILE  41  -4.230   8.160   1.866
  338   1HD1  ILE  41          1HD1      ILE  41  -3.203   6.593   1.258
  339   2HD1  ILE  41          3HD1      ILE  41  -2.822   5.487  -0.062
  340   3HD1  ILE  41          2HD1      ILE  41  -2.560   7.221  -0.260
  341    H    MET  42           HN       MET  42  -7.916   6.490  -2.063
  342    HA   MET  42           HA       MET  42  -9.186   5.181   0.221
  343   1HB   MET  42           HB2      MET  42 -11.090   4.703  -1.277
  344   2HB   MET  42           HB1      MET  42 -10.821   6.429  -1.088
  345   1HG   MET  42           HG2      MET  42  -9.701   6.496  -3.256
  346   2HG   MET  42           HG1      MET  42  -9.962   4.767  -3.451
  347   1HE   MET  42           HE3      MET  42 -12.935   4.900  -1.879
  348   2HE   MET  42           HE2      MET  42 -14.008   4.864  -3.278
  349   3HE   MET  42           HE1      MET  42 -12.617   3.782  -3.206
  350    H    VAL  43           HN       VAL  43  -8.892   3.075   0.383
  351    HA   VAL  43           HA       VAL  43  -7.084   1.858  -1.479
  352    HB   VAL  43           HB       VAL  43  -8.424   0.441   0.815
  353   1HG1  VAL  43          1HG1      VAL  43  -7.124  -0.894  -0.761
  354   2HG1  VAL  43          3HG1      VAL  43  -5.735   0.164  -0.509
  355   3HG1  VAL  43          2HG1      VAL  43  -6.339  -0.830   0.817
  356   1HG2  VAL  43          1HG2      VAL  43  -6.016   2.258   0.926
  357   2HG2  VAL  43          3HG2      VAL  43  -7.556   2.494   1.753
  358   3HG2  VAL  43          2HG2      VAL  43  -6.505   1.156   2.212
  359    H    ARG  44           HN       ARG  44  -7.581   0.428  -2.993
  360    HA   ARG  44           HA       ARG  44 -10.428  -0.175  -3.349
  361   1HB   ARG  44           HB2      ARG  44  -8.395   0.647  -5.424
  362   2HB   ARG  44           HB1      ARG  44  -9.961  -0.050  -5.825
  363   1HG   ARG  44           HG2      ARG  44 -10.938   1.851  -4.425
  364   2HG   ARG  44           HG1      ARG  44  -9.359   2.592  -4.562
  365   1HD   ARG  44           HD2      ARG  44  -9.496   2.705  -6.908
  366   2HD   ARG  44           HD1      ARG  44 -10.935   1.679  -6.939
  367    HE   ARG  44           HE       ARG  44 -11.400   3.997  -5.394
  368   1HH1  ARG  44          1HH1      ARG  44 -11.069   2.924  -8.699
  369   2HH1  ARG  44          2HH1      ARG  44 -12.051   4.206  -9.349
  370   1HH2  ARG  44          1HH2      ARG  44 -12.684   5.697  -6.244
  371   2HH2  ARG  44          2HH2      ARG  44 -12.995   5.752  -7.949
  372    H    GLY  45           HN       GLY  45 -10.449  -1.933  -5.322
  373   1HA   GLY  45           HA1      GLY  45  -8.547  -4.023  -4.626
  374   2HA   GLY  45           HA2      GLY  45  -9.810  -4.123  -5.851
  375    H    LYS  46           HN       LYS  46  -9.459  -6.201  -4.117
  376    HA   LYS  46           HA       LYS  46 -12.076  -6.200  -2.895
  377   1HB   LYS  46           HB2      LYS  46 -11.768  -8.611  -2.693
  378   2HB   LYS  46           HB1      LYS  46 -11.416  -8.072  -4.325
  379   1HG   LYS  46           HG2      LYS  46  -8.939  -8.008  -3.161
  380   2HG   LYS  46           HG1      LYS  46  -9.699  -9.389  -2.365
  381   1HD   LYS  46           HD2      LYS  46  -8.730 -10.344  -4.247
  382   2HD   LYS  46           HD1      LYS  46 -10.397 -10.077  -4.761
  383   1HE   LYS  46           HE2      LYS  46  -9.551  -7.827  -5.657
  384   2HE   LYS  46           HE1      LYS  46  -7.936  -8.511  -5.467
  385   1HZ   LYS  46           HZ2      LYS  46  -8.684 -10.375  -6.896
  386   2HZ   LYS  46           HZ1      LYS  46 -10.131  -9.535  -7.179
  387   3HZ   LYS  46           HZ3      LYS  46  -8.653  -8.878  -7.684
  388    H    GLY  47           HN       GLY  47 -12.312  -5.532  -0.840
  389   1HA   GLY  47           HA1      GLY  47 -10.329  -6.598   1.067
  390   2HA   GLY  47           HA2      GLY  47 -12.050  -6.580   1.400
  391    H    SER  48           HN       SER  48 -11.966  -3.750   0.085
  392    HA   SER  48           HA       SER  48 -10.310  -2.180   1.777
  393   1HB   SER  48           HB2      SER  48 -12.716  -1.128   0.322
  394   2HB   SER  48           HB1      SER  48 -11.165  -0.340   0.617
  395    HG   SER  48           HG       SER  48 -10.289  -2.103  -0.768
  396    H    MET  49           HN       MET  49 -13.880  -2.430   1.633
  397    HA   MET  49           HA       MET  49 -13.985  -1.428   4.398
  398   1HB   MET  49           HB2      MET  49 -15.797  -0.710   2.089
  399   2HB   MET  49           HB1      MET  49 -16.094  -0.256   3.761
  400   1HG   MET  49           HG2      MET  49 -14.139   1.112   3.811
  401   2HG   MET  49           HG1      MET  49 -13.624   0.518   2.235
  402   1HE   MET  49           HE3      MET  49 -16.186   2.709   4.202
  403   2HE   MET  49           HE2      MET  49 -17.251   3.292   2.923
  404   3HE   MET  49           HE1      MET  49 -17.266   1.587   3.374
  405    H    ARG  50           HN       ARG  50 -13.968  -4.128   3.582
  406    HA   ARG  50           HA       ARG  50 -16.540  -5.237   3.242
  407   1HB   ARG  50           HB2      ARG  50 -13.870  -6.414   3.900
  408   2HB   ARG  50           HB1      ARG  50 -15.322  -7.407   3.840
  409   1HG   ARG  50           HG2      ARG  50 -15.536  -6.049   1.514
  410   2HG   ARG  50           HG1      ARG  50 -13.783  -6.184   1.675
  411   1HD   ARG  50           HD2      ARG  50 -14.895  -8.058   0.439
  412   2HD   ARG  50           HD1      ARG  50 -13.889  -8.546   1.796
  413    HE   ARG  50           HE       ARG  50 -16.553  -8.254   2.661
  414   1HH1  ARG  50          1HH1      ARG  50 -14.512 -10.360   0.761
  415   2HH1  ARG  50          2HH1      ARG  50 -15.522 -11.763   0.986
  416   1HH2  ARG  50          1HH2      ARG  50 -17.865 -10.081   3.028
  417   2HH2  ARG  50          2HH2      ARG  50 -17.431 -11.601   2.292
  418    H    ASP  51           HN       ASP  51 -16.307  -3.577   5.653
  419    HA   ASP  51           HA       ASP  51 -16.565  -5.037   8.014
  420   1HB   ASP  51           HB2      ASP  51 -16.494  -2.613   7.976
  421   2HB   ASP  51           HB1      ASP  51 -17.959  -2.541   7.015
  422    H    LYS  52           HN       LYS  52 -18.262  -6.255   8.877
  423    HA   LYS  52           HA       LYS  52 -19.622  -7.797   7.007
  424   1HB   LYS  52           HB2      LYS  52 -19.368  -7.730   9.872
  425   2HB   LYS  52           HB1      LYS  52 -21.020  -8.124   9.415
  426   1HG   LYS  52           HG2      LYS  52 -18.551  -9.560   8.455
  427   2HG   LYS  52           HG1      LYS  52 -19.647 -10.122   9.717
  428   1HD   LYS  52           HD2      LYS  52 -20.458  -9.589   6.859
  429   2HD   LYS  52           HD1      LYS  52 -20.047 -11.178   7.503
  430   1HE   LYS  52           HE2      LYS  52 -22.241  -9.441   8.620
  431   2HE   LYS  52           HE1      LYS  52 -22.506 -10.667   7.382
  432   1HZ   LYS  52           HZ1      LYS  52 -21.397 -11.174  10.094
  433   2HZ   LYS  52           HZ3      LYS  52 -22.985 -11.512   9.595
  434   3HZ   LYS  52           HZ2      LYS  52 -21.677 -12.345   8.900
  435    H    LYS  53           HN       LYS  53 -20.918  -5.214   9.052
  436    HA   LYS  53           HA       LYS  53 -23.558  -5.520   8.107
  437   1HB   LYS  53           HB2      LYS  53 -23.897  -3.191   8.989
  438   2HB   LYS  53           HB1      LYS  53 -23.275  -4.348  10.156
  439   1HG   LYS  53           HG2      LYS  53 -21.001  -3.444   9.771
  440   2HG   LYS  53           HG1      LYS  53 -21.705  -2.225   8.705
  441   1HD   LYS  53           HD2      LYS  53 -21.325  -1.360  10.979
  442   2HD   LYS  53           HD1      LYS  53 -23.036  -1.354  10.548
  443   1HE   LYS  53           HE2      LYS  53 -23.363  -3.424  11.801
  444   2HE   LYS  53           HE1      LYS  53 -21.648  -3.459  12.206
  445   1HZ   LYS  53           HZ2      LYS  53 -23.440  -1.222  12.960
  446   2HZ   LYS  53           HZ1      LYS  53 -23.154  -2.555  13.966
  447   3HZ   LYS  53           HZ3      LYS  53 -21.873  -1.534  13.529
  448    H    LYS  54           HN       LYS  54 -20.802  -3.608   7.030
  449    HA   LYS  54           HA       LYS  54 -22.123  -1.985   5.201
  450   1HB   LYS  54           HB2      LYS  54 -19.330  -2.863   5.593
  451   2HB   LYS  54           HB1      LYS  54 -19.725  -2.231   3.998
  452   1HG   LYS  54           HG2      LYS  54 -20.305  -0.140   4.833
  453   2HG   LYS  54           HG1      LYS  54 -20.504  -0.747   6.478
  454   1HD   LYS  54           HD2      LYS  54 -17.998  -1.248   6.411
  455   2HD   LYS  54           HD1      LYS  54 -17.959  -0.247   4.957
  456   1HE   LYS  54           HE2      LYS  54 -17.376   1.044   6.950
  457   2HE   LYS  54           HE1      LYS  54 -18.859   1.636   6.206
  458   1HZ   LYS  54           HZ3      LYS  54 -18.790  -0.217   8.533
  459   2HZ   LYS  54           HZ2      LYS  54 -18.959   1.468   8.658
  460   3HZ   LYS  54           HZ1      LYS  54 -20.155   0.554   7.879
  461    H    GLU  55           HN       GLU  55 -20.851  -5.268   4.759
  462    HA   GLU  55           HA       GLU  55 -21.604  -5.327   2.010
  463   1HB   GLU  55           HB2      GLU  55 -21.465  -7.941   2.553
  464   2HB   GLU  55           HB1      GLU  55 -20.039  -6.942   2.305
  465   1HG   GLU  55           HG2      GLU  55 -19.595  -6.808   4.583
  466   2HG   GLU  55           HG1      GLU  55 -21.196  -7.406   5.033
  467    H    GLU  56           HN       GLU  56 -23.313  -5.789   4.933
  468    HA   GLU  56           HA       GLU  56 -25.502  -7.210   3.767
  469   1HB   GLU  56           HB2      GLU  56 -25.230  -5.664   6.336
  470   2HB   GLU  56           HB1      GLU  56 -26.723  -6.459   5.857
  471   1HG   GLU  56           HG2      GLU  56 -24.072  -7.837   6.228
  472   2HG   GLU  56           HG1      GLU  56 -25.384  -7.809   7.407
  473    H    GLN  57           HN       GLN  57 -25.268  -3.759   4.840
  474    HA   GLN  57           HA       GLN  57 -27.537  -3.279   3.024
  475   1HB   GLN  57           HB2      GLN  57 -28.204  -1.397   4.345
  476   2HB   GLN  57           HB1      GLN  57 -27.988  -2.779   5.403
  477   1HG   GLN  57           HG2      GLN  57 -25.924  -0.626   5.036
  478   2HG   GLN  57           HG1      GLN  57 -27.157  -0.607   6.288
  479   1HE2  GLN  57          1HE2      GLN  57 -24.200  -0.771   6.382
  480   2HE2  GLN  57          2HE2      GLN  57 -23.842  -2.206   7.292
  481    H    ASN  58           HN       ASN  58 -24.322  -2.091   3.863
  482    HA   ASN  58           HA       ASN  58 -24.490   0.121   2.003
  483   1HB   ASN  58           HB2      ASN  58 -22.176  -0.994   3.591
  484   2HB   ASN  58           HB1      ASN  58 -22.029   0.371   2.493
  485   1HD2  ASN  58          1HD2      ASN  58 -21.488   1.870   3.976
  486   2HD2  ASN  58          2HD2      ASN  58 -22.542   2.416   5.235
  487    H    ARG  59           HN       ARG  59 -24.361  -3.034   1.534
  488    HA   ARG  59           HA       ARG  59 -22.235  -3.618  -0.105
  489   1HB   ARG  59           HB2      ARG  59 -23.545  -5.447  -0.983
  490   2HB   ARG  59           HB1      ARG  59 -23.849  -5.280   0.740
  491   1HG   ARG  59           HG2      ARG  59 -25.949  -4.092   0.224
  492   2HG   ARG  59           HG1      ARG  59 -25.652  -4.368  -1.495
  493   1HD   ARG  59           HD2      ARG  59 -26.066  -6.459   0.638
  494   2HD   ARG  59           HD1      ARG  59 -27.181  -6.040  -0.662
  495    HE   ARG  59           HE       ARG  59 -25.235  -6.811  -2.166
  496   1HH1  ARG  59          1HH1      ARG  59 -26.015  -8.142   0.977
  497   2HH1  ARG  59          2HH1      ARG  59 -25.399  -9.720   0.608
  498   1HH2  ARG  59          1HH2      ARG  59 -24.424  -8.897  -2.664
  499   2HH2  ARG  59          2HH2      ARG  59 -24.505 -10.159  -1.468
  500    H    GLY  60           HN       GLY  60 -21.947  -3.662  -2.328
  501   1HA   GLY  60           HA1      GLY  60 -23.914  -2.425  -4.073
  502   2HA   GLY  60           HA2      GLY  60 -22.395  -3.165  -4.566
  503    H    LYS  61           HN       LYS  61 -22.103  -0.971  -1.988
  504    HA   LYS  61           HA       LYS  61 -21.825   1.383  -3.593
  505   1HB   LYS  61           HB2      LYS  61 -21.499   0.773  -0.693
  506   2HB   LYS  61           HB1      LYS  61 -20.829   2.268  -1.334
  507   1HG   LYS  61           HG2      LYS  61 -22.993   2.747  -0.461
  508   2HG   LYS  61           HG1      LYS  61 -23.097   2.822  -2.219
  509   1HD   LYS  61           HD2      LYS  61 -23.915   0.421  -2.126
  510   2HD   LYS  61           HD1      LYS  61 -24.076   0.645  -0.384
  511   1HE   LYS  61           HE2      LYS  61 -26.211   1.054  -1.361
  512   2HE   LYS  61           HE1      LYS  61 -25.550   2.611  -0.862
  513   1HZ   LYS  61           HZ2      LYS  61 -24.818   2.954  -3.169
  514   2HZ   LYS  61           HZ1      LYS  61 -25.566   1.503  -3.619
  515   3HZ   LYS  61           HZ3      LYS  61 -26.500   2.799  -3.047
  516    HA   PRO  62           HA       PRO  62 -17.704   2.103  -4.946
  517   1HB   PRO  62           HB2      PRO  62 -17.150   3.322  -2.255
  518   2HB   PRO  62           HB1      PRO  62 -16.648   3.863  -3.859
  519   1HG   PRO  62           HG2      PRO  62 -18.843   4.834  -2.538
  520   2HG   PRO  62           HG1      PRO  62 -18.659   4.847  -4.299
  521   1HD   PRO  62           HD2      PRO  62 -20.557   3.370  -2.730
  522   2HD   PRO  62           HD1      PRO  62 -20.361   3.370  -4.495
  523    H    ASN  63           HN       ASN  63 -17.892   0.743  -1.672
  524    HA   ASN  63           HA       ASN  63 -15.174  -0.150  -1.630
  525   1HB   ASN  63           HB2      ASN  63 -16.393  -1.832   0.140
  526   2HB   ASN  63           HB1      ASN  63 -15.745  -0.249   0.532
  527   1HD2  ASN  63          1HD2      ASN  63 -17.744   1.405  -0.429
  528   2HD2  ASN  63          2HD2      ASN  63 -19.196   1.126   0.471
  529    H    TRP  64           HN       TRP  64 -18.221  -1.506  -2.528
  530    HA   TRP  64           HA       TRP  64 -17.021  -4.031  -3.250
  531   1HB   TRP  64           HB2      TRP  64 -19.884  -3.189  -3.681
  532   2HB   TRP  64           HB1      TRP  64 -19.241  -4.829  -3.524
  533    HD1  TRP  64           HD1      TRP  64 -20.621  -2.006  -1.515
  534    HE1  TRP  64           HE1      TRP  64 -20.497  -2.549   0.980
  535    HE3  TRP  64           HE3      TRP  64 -17.692  -6.168  -1.769
  536    HZ2  TRP  64           HZ2      TRP  64 -19.279  -4.504   2.642
  537    HZ3  TRP  64           HZ3      TRP  64 -17.083  -7.315   0.316
  538    HH2  TRP  64           HH2      TRP  64 -17.865  -6.496   2.476
  539    H    GLU  65           HN       GLU  65 -17.917  -1.030  -4.553
  540    HA   GLU  65           HA       GLU  65 -18.201  -1.622  -7.262
  541   1HB   GLU  65           HB2      GLU  65 -18.785   0.547  -6.531
  542   2HB   GLU  65           HB1      GLU  65 -17.205   0.805  -5.801
  543   1HG   GLU  65           HG2      GLU  65 -16.224   0.725  -8.093
  544   2HG   GLU  65           HG1      GLU  65 -17.867   0.698  -8.727
  545    H    HIS  66           HN       HIS  66 -15.312  -0.441  -5.540
  546    HA   HIS  66           HA       HIS  66 -13.635  -1.192  -7.759
  547   1HB   HIS  66           HB2      HIS  66 -11.781  -0.343  -6.349
  548   2HB   HIS  66           HB1      HIS  66 -13.073   0.830  -6.588
  549    HD1  HIS  66           HD1      HIS  66 -13.531   2.098  -4.530
  550    HD2  HIS  66           HD2      HIS  66 -12.335  -1.795  -3.728
  551    HE1  HIS  66           HE1      HIS  66 -13.364   1.939  -2.019
  552    HE2  HIS  66           HE2      HIS  66 -12.386  -0.349  -1.598
  553    H    LEU  67           HN       LEU  67 -15.015  -2.951  -5.367
  554    HA   LEU  67           HA       LEU  67 -12.847  -4.616  -4.574
  555   1HB   LEU  67           HB2      LEU  67 -14.926  -4.450  -3.278
  556   2HB   LEU  67           HB1      LEU  67 -15.817  -5.174  -4.602
  557    HG   LEU  67           HG       LEU  67 -13.607  -6.855  -3.717
  558   1HD1  LEU  67          1HD1      LEU  67 -15.778  -6.175  -1.742
  559   2HD1  LEU  67          3HD1      LEU  67 -14.630  -7.505  -1.585
  560   3HD1  LEU  67          2HD1      LEU  67 -14.057  -5.837  -1.563
  561   1HD2  LEU  67          1HD2      LEU  67 -15.425  -7.592  -5.184
  562   2HD2  LEU  67          3HD2      LEU  67 -15.365  -8.544  -3.701
  563   3HD2  LEU  67          2HD2      LEU  67 -16.589  -7.289  -3.894
  564    H    ASN  68           HN       ASN  68 -14.523  -4.221  -7.439
  565    HA   ASN  68           HA       ASN  68 -14.153  -6.939  -8.399
  566   1HB   ASN  68           HB2      ASN  68 -15.040  -4.477  -9.928
  567   2HB   ASN  68           HB1      ASN  68 -15.178  -6.153 -10.464
  568   1HD2  ASN  68          1HD2      ASN  68 -16.466  -3.679  -8.430
  569   2HD2  ASN  68          2HD2      ASN  68 -17.860  -4.541  -7.873
  570    H    GLU  69           HN       GLU  69 -12.188  -4.434  -7.848
  571    HA   GLU  69           HA       GLU  69 -10.421  -4.947 -10.136
  572   1HB   GLU  69           HB2      GLU  69 -10.166  -2.895  -7.924
  573   2HB   GLU  69           HB1      GLU  69  -9.155  -3.007  -9.356
  574   1HG   GLU  69           HG2      GLU  69 -11.069  -2.454 -10.760
  575   2HG   GLU  69           HG1      GLU  69 -12.097  -2.364  -9.327
  576    H    ASP  70           HN       ASP  70  -7.979  -4.740  -9.247
  577    HA   ASP  70           HA       ASP  70  -7.690  -6.793  -7.199
  578   1HB   ASP  70           HB2      ASP  70  -6.267  -6.492  -9.454
  579   2HB   ASP  70           HB1      ASP  70  -5.289  -5.499  -8.382
  580    H    LEU  71           HN       LEU  71  -6.593  -6.456  -5.254
  581    HA   LEU  71           HA       LEU  71  -7.246  -4.119  -3.917
  582   1HB   LEU  71           HB2      LEU  71  -6.813  -6.148  -2.717
  583   2HB   LEU  71           HB1      LEU  71  -5.170  -6.219  -3.314
  584    HG   LEU  71           HG       LEU  71  -4.507  -4.369  -1.924
  585   1HD1  LEU  71          1HD1      LEU  71  -7.402  -4.188  -1.109
  586   2HD1  LEU  71          3HD1      LEU  71  -6.072  -3.271  -0.403
  587   3HD1  LEU  71          2HD1      LEU  71  -6.516  -3.019  -2.090
  588   1HD2  LEU  71          2HD2      LEU  71  -6.204  -6.335  -0.391
  589   2HD2  LEU  71          1HD2      LEU  71  -4.528  -6.570  -0.889
  590   3HD2  LEU  71          3HD2      LEU  71  -4.930  -5.323   0.292
  591    H    HIS  72           HN       HIS  72  -6.482  -2.137  -4.166
  592    HA   HIS  72           HA       HIS  72  -3.622  -1.720  -4.389
  593   1HB   HIS  72           HB2      HIS  72  -3.779  -0.253  -6.321
  594   2HB   HIS  72           HB1      HIS  72  -4.333  -1.868  -6.721
  595    HD1  HIS  72           HD1      HIS  72  -6.757  -2.173  -7.399
  596    HD2  HIS  72           HD2      HIS  72  -5.812   1.762  -6.441
  597    HE1  HIS  72           HE1      HIS  72  -8.610  -0.778  -8.354
  598    HE2  HIS  72           HE2      HIS  72  -7.886   1.599  -7.997
  599    H    VAL  73           HN       VAL  73  -3.106   0.664  -4.243
  600    HA   VAL  73           HA       VAL  73  -5.078   1.916  -2.433
  601    HB   VAL  73           HB       VAL  73  -3.130   3.196  -1.466
  602   1HG1  VAL  73          2HG1      VAL  73  -3.126   0.194  -1.150
  603   2HG1  VAL  73          1HG1      VAL  73  -2.394   1.339  -0.025
  604   3HG1  VAL  73          3HG1      VAL  73  -4.141   1.340  -0.276
  605   1HG2  VAL  73          3HG2      VAL  73  -1.535   2.808  -3.294
  606   2HG2  VAL  73          2HG2      VAL  73  -0.886   2.286  -1.739
  607   3HG2  VAL  73          1HG2      VAL  73  -1.492   1.092  -2.889
  608    H    LEU  74           HN       LEU  74  -5.904   3.782  -3.083
  609    HA   LEU  74           HA       LEU  74  -4.597   5.070  -5.365
  610   1HB   LEU  74           HB2      LEU  74  -6.331   4.008  -6.426
  611   2HB   LEU  74           HB1      LEU  74  -7.393   4.110  -5.038
  612    HG   LEU  74           HG       LEU  74  -7.848   6.433  -5.507
  613   1HD1  LEU  74          1HD1      LEU  74  -5.704   7.119  -6.348
  614   2HD1  LEU  74          3HD1      LEU  74  -5.977   6.183  -7.822
  615   3HD1  LEU  74          2HD1      LEU  74  -7.007   7.570  -7.446
  616   1HD2  LEU  74          2HD2      LEU  74  -8.082   4.711  -7.952
  617   2HD2  LEU  74          1HD2      LEU  74  -9.225   4.788  -6.610
  618   3HD2  LEU  74          3HD2      LEU  74  -8.993   6.192  -7.651
  619    H    ILE  75           HN       ILE  75  -3.974   6.951  -4.907
  620    HA   ILE  75           HA       ILE  75  -5.299   8.613  -2.957
  621    HB   ILE  75           HB       ILE  75  -3.537  10.279  -4.152
  622   1HG1  ILE  75          2HG1      ILE  75  -2.181   7.602  -4.384
  623   2HG1  ILE  75          1HG1      ILE  75  -3.003   8.349  -5.750
  624   1HG2  ILE  75          1HG2      ILE  75  -3.604   9.730  -1.776
  625   2HG2  ILE  75          3HG2      ILE  75  -2.805   8.192  -2.108
  626   3HG2  ILE  75          2HG2      ILE  75  -1.951   9.710  -2.394
  627   1HD1  ILE  75          3HD1      ILE  75  -0.739   9.594  -4.213
  628   2HD1  ILE  75          2HD1      ILE  75  -0.584   8.736  -5.748
  629   3HD1  ILE  75          1HD1      ILE  75  -1.516  10.236  -5.664
  630    H    THR  76           HN       THR  76  -7.133   9.510  -3.513
  631    HA   THR  76           HA       THR  76  -7.552  10.336  -6.304
  632    HB   THR  76           HB       THR  76  -9.855  10.433  -4.498
  633    HG1  THR  76           HG1      THR  76  -8.955   8.593  -3.578
  634   1HG2  THR  76          2HG2      THR  76  -9.994  10.638  -6.923
  635   2HG2  THR  76          1HG2      THR  76  -9.314   9.020  -7.098
  636   3HG2  THR  76          3HG2      THR  76 -10.895   9.233  -6.351
  637    H    VAL  77           HN       VAL  77  -7.107  12.436  -6.598
  638    HA   VAL  77           HA       VAL  77  -7.917  14.271  -4.453
  639    HB   VAL  77           HB       VAL  77  -5.460  14.214  -4.840
  640   1HG1  VAL  77          3HG1      VAL  77  -6.132  15.283  -7.569
  641   2HG1  VAL  77          2HG1      VAL  77  -4.519  15.190  -6.863
  642   3HG1  VAL  77          1HG1      VAL  77  -5.417  13.712  -7.204
  643   1HG2  VAL  77          3HG2      VAL  77  -6.875  16.778  -5.527
  644   2HG2  VAL  77          2HG2      VAL  77  -6.417  16.197  -3.924
  645   3HG2  VAL  77          1HG2      VAL  77  -5.170  16.657  -5.084
  646    H    GLU  78           HN       GLU  78  -9.677  15.342  -4.927
  647    HA   GLU  78           HA       GLU  78 -10.356  15.792  -7.726
  648   1HB   GLU  78           HB2      GLU  78 -11.957  16.388  -5.223
  649   2HB   GLU  78           HB1      GLU  78 -12.544  16.522  -6.878
  650   1HG   GLU  78           HG2      GLU  78 -12.078  14.061  -7.121
  651   2HG   GLU  78           HG1      GLU  78 -11.785  14.028  -5.384
  652    H    ASP  79           HN       ASP  79  -8.874  17.319  -8.285
  653    HA   ASP  79           HA       ASP  79  -9.434  20.012  -7.991
  654   1HB   ASP  79           HB2      ASP  79  -8.583  19.317  -5.568
  655   2HB   ASP  79           HB1      ASP  79  -7.000  19.449  -6.326
  656    H    ALA  80           HN       ALA  80  -7.686  21.348  -8.910
  657    HA   ALA  80           HA       ALA  80  -6.074  19.758 -10.773
  658   1HB   ALA  80           HB2      ALA  80  -6.800  22.686 -10.857
  659   2HB   ALA  80           HB3      ALA  80  -7.589  21.395 -11.763
  660   3HB   ALA  80           HB1      ALA  80  -5.908  21.804 -12.097
  661    H    GLN  81           HN       GLN  81  -5.690  21.028  -7.833
  662    HA   GLN  81           HA       GLN  81  -3.410  22.689  -8.068
  663   1HB   GLN  81           HB2      GLN  81  -4.409  21.092  -5.703
  664   2HB   GLN  81           HB1      GLN  81  -3.159  22.325  -5.628
  665   1HG   GLN  81           HG2      GLN  81  -6.041  22.744  -6.385
  666   2HG   GLN  81           HG1      GLN  81  -5.277  23.201  -4.866
  667   1HE2  GLN  81          1HE2      GLN  81  -5.682  23.960  -8.212
  668   2HE2  GLN  81          2HE2      GLN  81  -4.930  25.516  -8.169
  669    H    ASN  82           HN       ASN  82  -1.462  22.118  -8.721
  670    HA   ASN  82           HA       ASN  82  -0.469  19.449  -8.657
  671   1HB   ASN  82           HB2      ASN  82   1.670  20.376  -9.352
  672   2HB   ASN  82           HB1      ASN  82   0.378  21.133 -10.274
  673   1HD2  ASN  82          1HD2      ASN  82   3.162  21.983  -9.529
  674   2HD2  ASN  82          2HD2      ASN  82   2.954  23.558  -8.845
  675    H    ARG  83           HN       ARG  83  -0.568  22.042  -6.419
  676    HA   ARG  83           HA       ARG  83   1.502  21.111  -4.684
  677   1HB   ARG  83           HB2      ARG  83  -0.862  22.845  -3.947
  678   2HB   ARG  83           HB1      ARG  83   0.698  22.758  -3.136
  679   1HG   ARG  83           HG2      ARG  83   1.780  23.721  -5.099
  680   2HG   ARG  83           HG1      ARG  83   0.222  23.797  -5.924
  681   1HD   ARG  83           HD2      ARG  83   0.631  25.962  -5.081
  682   2HD   ARG  83           HD1      ARG  83  -0.576  25.241  -4.016
  683    HE   ARG  83           HE       ARG  83   2.104  24.850  -3.088
  684   1HH1  ARG  83          1HH1      ARG  83  -0.554  27.127  -3.189
  685   2HH1  ARG  83          2HH1      ARG  83  -0.047  27.989  -1.770
  686   1HH2  ARG  83          1HH2      ARG  83   2.785  25.982  -1.232
  687   2HH2  ARG  83          2HH2      ARG  83   1.856  27.335  -0.653
  688    H    ALA  84           HN       ALA  84  -1.861  20.382  -5.159
  689    HA   ALA  84           HA       ALA  84  -2.291  19.049  -2.678
  690   1HB   ALA  84           HB3      ALA  84  -3.772  18.728  -5.291
  691   2HB   ALA  84           HB2      ALA  84  -4.318  18.158  -3.714
  692   3HB   ALA  84           HB1      ALA  84  -4.164  19.890  -4.022
  693    H    GLU  85           HN       GLU  85  -1.495  17.957  -5.972
  694    HA   GLU  85           HA       GLU  85  -1.391  15.205  -5.324
  695   1HB   GLU  85           HB2      GLU  85  -0.409  14.840  -7.430
  696   2HB   GLU  85           HB1      GLU  85  -1.488  16.207  -7.650
  697   1HG   GLU  85           HG2      GLU  85   0.325  17.743  -7.679
  698   2HG   GLU  85           HG1      GLU  85   1.467  16.492  -7.189
  699    H    LEU  86           HN       LEU  86   0.975  17.790  -5.041
  700    HA   LEU  86           HA       LEU  86   3.225  16.190  -4.458
  701   1HB   LEU  86           HB2      LEU  86   3.273  18.628  -4.984
  702   2HB   LEU  86           HB1      LEU  86   2.579  18.947  -3.409
  703    HG   LEU  86           HG       LEU  86   4.584  17.930  -2.352
  704   1HD1  LEU  86          2HD1      LEU  86   5.263  16.476  -4.187
  705   2HD1  LEU  86          1HD1      LEU  86   5.640  17.885  -5.177
  706   3HD1  LEU  86          3HD1      LEU  86   6.577  17.555  -3.720
  707   1HD2  LEU  86          3HD2      LEU  86   4.399  20.344  -2.649
  708   2HD2  LEU  86          2HD2      LEU  86   6.073  19.808  -2.811
  709   3HD2  LEU  86          1HD2      LEU  86   5.130  20.208  -4.248
  710    H    LYS  87           HN       LYS  87   0.632  17.483  -2.484
  711    HA   LYS  87           HA       LYS  87   1.724  16.752   0.031
  712   1HB   LYS  87           HB2      LYS  87  -0.306  18.343  -0.804
  713   2HB   LYS  87           HB1      LYS  87  -1.215  16.938  -0.272
  714   1HG   LYS  87           HG2      LYS  87  -0.369  17.128   1.939
  715   2HG   LYS  87           HG1      LYS  87   0.805  18.353   1.448
  716   1HD   LYS  87           HD2      LYS  87  -2.201  18.636   1.464
  717   2HD   LYS  87           HD1      LYS  87  -1.063  19.420   2.561
  718   1HE   LYS  87           HE2      LYS  87  -0.061  20.592   0.625
  719   2HE   LYS  87           HE1      LYS  87  -1.272  19.853  -0.421
  720   1HZ   LYS  87           HZ3      LYS  87  -2.999  20.986   0.842
  721   2HZ   LYS  87           HZ2      LYS  87  -1.829  21.694   1.842
  722   3HZ   LYS  87           HZ1      LYS  87  -1.892  22.102   0.198
  723    H    LEU  88           HN       LEU  88  -0.647  15.240  -2.140
  724    HA   LEU  88           HA       LEU  88  -1.151  13.042  -0.413
  725   1HB   LEU  88           HB2      LEU  88  -2.207  12.007  -2.437
  726   2HB   LEU  88           HB1      LEU  88  -2.850  13.564  -1.950
  727    HG   LEU  88           HG       LEU  88  -1.108  14.440  -3.761
  728   1HD1  LEU  88          3HD1      LEU  88  -1.805  11.687  -4.721
  729   2HD1  LEU  88          2HD1      LEU  88  -1.034  12.948  -5.682
  730   3HD1  LEU  88          1HD1      LEU  88  -0.195  12.261  -4.288
  731   1HD2  LEU  88          3HD2      LEU  88  -3.804  13.258  -4.391
  732   2HD2  LEU  88          2HD2      LEU  88  -3.473  14.894  -3.814
  733   3HD2  LEU  88          1HD2      LEU  88  -2.921  14.395  -5.411
  734    H    LYS  89           HN       LYS  89   1.178  13.573  -3.012
  735    HA   LYS  89           HA       LYS  89   1.874  10.843  -3.274
  736   1HB   LYS  89           HB2      LYS  89   3.889  11.607  -4.477
  737   2HB   LYS  89           HB1      LYS  89   2.411  12.319  -5.087
  738   1HG   LYS  89           HG2      LYS  89   3.839  14.104  -5.116
  739   2HG   LYS  89           HG1      LYS  89   3.045  14.315  -3.558
  740   1HD   LYS  89           HD2      LYS  89   5.426  14.687  -3.338
  741   2HD   LYS  89           HD1      LYS  89   4.961  13.229  -2.461
  742   1HE   LYS  89           HE2      LYS  89   5.780  11.844  -4.264
  743   2HE   LYS  89           HE1      LYS  89   6.152  13.275  -5.227
  744   1HZ   LYS  89           HZ2      LYS  89   7.392  12.659  -2.600
  745   2HZ   LYS  89           HZ1      LYS  89   8.099  12.308  -4.101
  746   3HZ   LYS  89           HZ3      LYS  89   7.813  13.917  -3.655
  747    H    ARG  90           HN       ARG  90   3.100  13.401  -1.167
  748    HA   ARG  90           HA       ARG  90   5.301  11.919  -0.169
  749   1HB   ARG  90           HB2      ARG  90   5.503  13.537   1.554
  750   2HB   ARG  90           HB1      ARG  90   4.907  14.421   0.160
  751   1HG   ARG  90           HG2      ARG  90   2.715  14.527   1.061
  752   2HG   ARG  90           HG1      ARG  90   3.122  13.393   2.347
  753   1HD   ARG  90           HD2      ARG  90   4.785  15.098   3.163
  754   2HD   ARG  90           HD1      ARG  90   4.078  16.226   2.005
  755    HE   ARG  90           HE       ARG  90   2.091  15.037   3.663
  756   1HH1  ARG  90          1HH1      ARG  90   4.590  17.502   3.696
  757   2HH1  ARG  90          2HH1      ARG  90   3.774  18.481   4.882
  758   1HH2  ARG  90          1HH2      ARG  90   1.045  16.295   5.212
  759   2HH2  ARG  90          2HH2      ARG  90   1.732  17.811   5.718
  760    H    ALA  91           HN       ALA  91   1.953  12.275   0.917
  761    HA   ALA  91           HA       ALA  91   2.225  10.646   3.225
  762   1HB   ALA  91           HB1      ALA  91  -0.236  11.391   1.654
  763   2HB   ALA  91           HB3      ALA  91  -0.218  10.696   3.275
  764   3HB   ALA  91           HB2      ALA  91   0.460  12.303   2.997
  765    H    VAL  92           HN       VAL  92   1.177  10.038  -0.082
  766    HA   VAL  92           HA       VAL  92   0.420   7.343   0.385
  767    HB   VAL  92           HB       VAL  92  -0.258   8.909  -1.562
  768   1HG1  VAL  92          3HG1      VAL  92   2.259   7.700  -2.689
  769   2HG1  VAL  92          2HG1      VAL  92   1.016   8.518  -3.638
  770   3HG1  VAL  92          1HG1      VAL  92   1.934   9.414  -2.425
  771   1HG2  VAL  92          1HG2      VAL  92   0.370   5.995  -1.970
  772   2HG2  VAL  92          3HG2      VAL  92  -1.107   6.678  -1.289
  773   3HG2  VAL  92          2HG2      VAL  92  -0.711   6.948  -2.986
  774    H    GLU  93           HN       GLU  93   3.428   8.931  -0.420
  775    HA   GLU  93           HA       GLU  93   4.887   6.623  -1.098
  776   1HB   GLU  93           HB2      GLU  93   5.543   9.374  -0.257
  777   2HB   GLU  93           HB1      GLU  93   6.783   8.165   0.041
  778   1HG   GLU  93           HG2      GLU  93   6.756   7.540  -2.310
  779   2HG   GLU  93           HG1      GLU  93   5.491   8.730  -2.615
  780    H    GLU  94           HN       GLU  94   3.979   8.032   1.983
  781    HA   GLU  94           HA       GLU  94   5.534   6.284   3.586
  782   1HB   GLU  94           HB2      GLU  94   2.836   7.443   4.294
  783   2HB   GLU  94           HB1      GLU  94   4.085   6.894   5.407
  784   1HG   GLU  94           HG2      GLU  94   5.564   8.689   4.400
  785   2HG   GLU  94           HG1      GLU  94   4.101   9.320   3.643
  786    H    VAL  95           HN       VAL  95   2.287   6.051   2.186
  787    HA   VAL  95           HA       VAL  95   1.690   3.466   3.132
  788    HB   VAL  95           HB       VAL  95   0.827   4.720   0.520
  789   1HG1  VAL  95          2HG1      VAL  95   0.643   2.195   0.672
  790   2HG1  VAL  95          1HG1      VAL  95  -0.485   2.439   2.000
  791   3HG1  VAL  95          3HG1      VAL  95  -0.879   3.052   0.395
  792   1HG2  VAL  95          2HG2      VAL  95  -0.528   4.620   3.213
  793   2HG2  VAL  95          1HG2      VAL  95   0.147   6.049   2.429
  794   3HG2  VAL  95          3HG2      VAL  95  -1.253   5.236   1.727
  795    H    LYS  96           HN       LYS  96   3.500   4.566   0.289
  796    HA   LYS  96           HA       LYS  96   3.922   2.061  -0.896
  797   1HB   LYS  96           HB2      LYS  96   5.793   4.436  -0.826
  798   2HB   LYS  96           HB1      LYS  96   5.931   3.070  -1.924
  799   1HG   LYS  96           HG2      LYS  96   3.762   3.636  -2.901
  800   2HG   LYS  96           HG1      LYS  96   3.633   5.013  -1.804
  801   1HD   LYS  96           HD2      LYS  96   5.727   5.918  -2.783
  802   2HD   LYS  96           HD1      LYS  96   5.711   4.594  -3.951
  803   1HE   LYS  96           HE2      LYS  96   3.496   5.367  -4.731
  804   2HE   LYS  96           HE1      LYS  96   3.605   6.727  -3.615
  805   1HZ   LYS  96           HZ3      LYS  96   5.698   7.348  -4.803
  806   2HZ   LYS  96           HZ2      LYS  96   5.327   6.178  -5.966
  807   3HZ   LYS  96           HZ1      LYS  96   4.283   7.498  -5.729
  808    H    LYS  97           HN       LYS  97   5.489   3.585   1.834
  809    HA   LYS  97           HA       LYS  97   7.509   1.558   2.091
  810   1HB   LYS  97           HB2      LYS  97   6.633   3.901   3.742
  811   2HB   LYS  97           HB1      LYS  97   7.679   2.677   4.449
  812   1HG   LYS  97           HG2      LYS  97   8.352   4.083   1.880
  813   2HG   LYS  97           HG1      LYS  97   8.817   4.708   3.464
  814   1HD   LYS  97           HD2      LYS  97   9.979   2.567   3.920
  815   2HD   LYS  97           HD1      LYS  97   9.579   2.033   2.288
  816   1HE   LYS  97           HE2      LYS  97  11.112   4.563   2.819
  817   2HE   LYS  97           HE1      LYS  97  11.908   2.997   2.666
  818   1HZ   LYS  97           HZ1      LYS  97  10.180   4.251   0.594
  819   2HZ   LYS  97           HZ3      LYS  97  11.878   4.220   0.575
  820   3HZ   LYS  97           HZ2      LYS  97  11.006   2.772   0.453
  821    H    LEU  98           HN       LEU  98   4.228   1.916   3.004
  822    HA   LEU  98           HA       LEU  98   4.400  -0.093   5.093
  823   1HB   LEU  98           HB2      LEU  98   2.126   1.522   3.977
  824   2HB   LEU  98           HB1      LEU  98   1.890   0.269   5.180
  825    HG   LEU  98           HG       LEU  98   3.606   2.733   5.559
  826   1HD1  LEU  98          3HD1      LEU  98   0.831   2.103   6.557
  827   2HD1  LEU  98          2HD1      LEU  98   1.797   3.503   7.023
  828   3HD1  LEU  98          1HD1      LEU  98   1.258   3.321   5.355
  829   1HD2  LEU  98          1HD2      LEU  98   4.320   0.810   6.892
  830   2HD2  LEU  98          3HD2      LEU  98   3.625   2.078   7.904
  831   3HD2  LEU  98          2HD2      LEU  98   2.681   0.638   7.519
  832    H    LEU  99           HN       LEU  99   3.041   0.255   1.862
  833    HA   LEU  99           HA       LEU  99   1.580  -2.137   1.895
  834   1HB   LEU  99           HB2      LEU  99   1.410  -1.825  -0.580
  835   2HB   LEU  99           HB1      LEU  99   0.827  -0.510   0.412
  836    HG   LEU  99           HG       LEU  99   2.961   0.699  -0.050
  837   1HD1  LEU  99          1HD1      LEU  99   4.336  -1.225  -0.686
  838   2HD1  LEU  99          3HD1      LEU  99   3.345  -1.449  -2.128
  839   3HD1  LEU  99          2HD1      LEU  99   4.317   0.014  -1.941
  840   1HD2  LEU  99          3HD2      LEU  99   1.232  -0.033  -2.405
  841   2HD2  LEU  99          2HD2      LEU  99   0.918   1.241  -1.226
  842   3HD2  LEU  99          1HD2      LEU  99   2.298   1.369  -2.317
  843    H    VAL 100           HN       VAL 100   4.776  -1.952   2.077
  844    HA   VAL 100           HA       VAL 100   5.559  -3.945   0.189
  845    HB   VAL 100           HB       VAL 100   7.201  -2.355   1.072
  846   1HG1  VAL 100          1HG1      VAL 100   6.362  -2.076   3.331
  847   2HG1  VAL 100          3HG1      VAL 100   6.818  -3.734   3.724
  848   3HG1  VAL 100          2HG1      VAL 100   8.062  -2.541   3.355
  849   1HG2  VAL 100          2HG2      VAL 100   8.004  -4.483   0.228
  850   2HG2  VAL 100          1HG2      VAL 100   9.006  -3.937   1.573
  851   3HG2  VAL 100          3HG2      VAL 100   7.811  -5.209   1.823
  852    HA   PRO 101           HA       PRO 101   3.740  -7.358   2.393
  853   1HB   PRO 101           HB2      PRO 101   4.869  -9.326   0.924
  854   2HB   PRO 101           HB1      PRO 101   3.538  -8.327   0.326
  855   1HG   PRO 101           HG2      PRO 101   6.488  -8.035  -0.165
  856   2HG   PRO 101           HG1      PRO 101   5.155  -7.982  -1.336
  857   1HD   PRO 101           HD2      PRO 101   6.275  -5.743  -0.401
  858   2HD   PRO 101           HD1      PRO 101   4.530  -5.838  -0.713
  859    H    ALA 102           HN       ALA 102   6.927  -6.449   2.471
  860    HA   ALA 102           HA       ALA 102   8.635  -6.847   3.888
  861   1HB   ALA 102           HB2      ALA 102   8.186  -7.988   6.011
  862   2HB   ALA 102           HB1      ALA 102   6.953  -6.784   5.635
  863   3HB   ALA 102           HB3      ALA 102   6.614  -8.499   5.393
  864    H    ALA 103           HN       ALA 103   9.395  -9.167   5.299
  865    HA   ALA 103           HA       ALA 103  10.512 -11.128   5.034
  866   1HB   ALA 103           HB3      ALA 103   9.487 -12.865   3.659
  867   2HB   ALA 103           HB2      ALA 103   8.272 -12.022   4.618
  868   3HB   ALA 103           HB1      ALA 103   8.444 -11.662   2.900
  869    H    GLU 104           HN       GLU 104  11.306  -8.783   3.535
  870    HA   GLU 104           HA       GLU 104  12.503  -9.979   1.137
  871   1HB   GLU 104           HB2      GLU 104  10.957  -8.180   0.611
  872   2HB   GLU 104           HB1      GLU 104  11.789  -7.104   1.719
  873   1HG   GLU 104           HG2      GLU 104  13.797  -7.243   0.289
  874   2HG   GLU 104           HG1      GLU 104  12.883  -8.240  -0.843
  875    H    GLY 105           HN       GLY 105  13.294  -7.074   2.996
  876   1HA   GLY 105           HA1      GLY 105  15.750  -8.208   3.999
  877   2HA   GLY 105           HA2      GLY 105  15.188  -6.561   4.237
  878    H    GLU 106           HN       GLU 106  14.856  -5.865   1.515
  879    HA   GLU 106           HA       GLU 106  17.195  -6.364  -0.004
  880   1HB   GLU 106           HB2      GLU 106  14.714  -5.112  -0.396
  881   2HB   GLU 106           HB1      GLU 106  15.918  -3.863  -0.677
  882   1HG   GLU 106           HG2      GLU 106  15.988  -6.560  -1.997
  883   2HG   GLU 106           HG1      GLU 106  15.197  -5.150  -2.700
  884    H    ASP 107           HN       ASP 107  18.549  -4.484  -0.818
  885    HA   ASP 107           HA       ASP 107  19.976  -2.741  -0.545
  886   1HB   ASP 107           HB2      ASP 107  18.182  -1.408   0.431
  887   2HB   ASP 107           HB1      ASP 107  18.474  -2.145   2.004
  888    H    SER 108           HN       SER 108  19.391  -4.528   2.422
  889    HA   SER 108           HA       SER 108  22.009  -4.340   3.452
  890   1HB   SER 108           HB2      SER 108  19.864  -5.059   4.631
  891   2HB   SER 108           HB1      SER 108  20.097  -6.630   3.873
  892    HG   SER 108           HG       SER 108  21.054  -6.736   5.863
  893    H    LEU 109           HN       LEU 109  20.579  -6.305   1.000
  894    HA   LEU 109           HA       LEU 109  22.362  -8.460   0.969
  895   1HB   LEU 109           HB2      LEU 109  20.913  -7.236  -1.380
  896   2HB   LEU 109           HB1      LEU 109  21.565  -8.861  -1.296
  897    HG   LEU 109           HG       LEU 109  19.258  -7.781   0.326
  898   1HD1  LEU 109          2HD1      LEU 109  19.356  -9.814  -1.896
  899   2HD1  LEU 109          1HD1      LEU 109  17.930  -9.395  -0.947
  900   3HD1  LEU 109          3HD1      LEU 109  18.677  -8.190  -1.996
  901   1HD2  LEU 109          3HD2      LEU 109  20.490 -10.531   0.300
  902   2HD2  LEU 109          2HD2      LEU 109  20.561  -9.371   1.627
  903   3HD2  LEU 109          1HD2      LEU 109  19.014 -10.071   1.148
  904    H    LYS 110           HN       LYS 110  22.553  -5.243  -0.406
  905    HA   LYS 110           HA       LYS 110  24.954  -5.869  -1.901
  906   1HB   LYS 110           HB2      LYS 110  23.277  -3.397  -1.595
  907   2HB   LYS 110           HB1      LYS 110  24.883  -3.304  -2.298
  908   1HG   LYS 110           HG2      LYS 110  23.306  -3.458  -4.075
  909   2HG   LYS 110           HG1      LYS 110  24.173  -4.991  -3.988
  910   1HD   LYS 110           HD2      LYS 110  21.843  -5.444  -4.335
  911   2HD   LYS 110           HD1      LYS 110  22.270  -5.929  -2.695
  912   1HE   LYS 110           HE2      LYS 110  20.130  -4.769  -2.728
  913   2HE   LYS 110           HE1      LYS 110  21.335  -3.843  -1.833
  914   1HZ   LYS 110           HZ1      LYS 110  20.620  -3.335  -4.668
  915   2HZ   LYS 110           HZ3      LYS 110  19.942  -2.502  -3.353
  916   3HZ   LYS 110           HZ2      LYS 110  21.601  -2.375  -3.669
  917    H    LYS 111           HN       LYS 111  24.056  -3.936   0.942
  918    HA   LYS 111           HA       LYS 111  26.701  -2.976   1.368
  919   1HB   LYS 111           HB2      LYS 111  24.124  -2.757   2.743
  920   2HB   LYS 111           HB1      LYS 111  25.514  -2.742   3.820
  921   1HG   LYS 111           HG2      LYS 111  26.488  -0.903   2.523
  922   2HG   LYS 111           HG1      LYS 111  25.073  -0.908   1.471
  923   1HD   LYS 111           HD2      LYS 111  24.922  -0.497   4.451
  924   2HD   LYS 111           HD1      LYS 111  25.064   0.829   3.295
  925   1HE   LYS 111           HE2      LYS 111  22.870  -1.235   3.246
  926   2HE   LYS 111           HE1      LYS 111  22.726   0.343   4.022
  927   1HZ   LYS 111           HZ1      LYS 111  23.353  -0.054   1.145
  928   2HZ   LYS 111           HZ3      LYS 111  21.800   0.256   1.749
  929   3HZ   LYS 111           HZ2      LYS 111  23.027   1.416   1.921
  930    H    MET 112           HN       MET 112  24.977  -5.832   2.455
  931    HA   MET 112           HA       MET 112  26.941  -6.557   4.385
  932   1HB   MET 112           HB2      MET 112  24.773  -8.134   3.021
  933   2HB   MET 112           HB1      MET 112  25.914  -8.882   4.131
  934   1HG   MET 112           HG2      MET 112  25.212  -7.284   5.872
  935   2HG   MET 112           HG1      MET 112  24.006  -6.635   4.763
  936   1HE   MET 112           HE1      MET 112  22.071  -8.260   3.687
  937   2HE   MET 112           HE3      MET 112  23.231  -9.542   3.329
  938   3HE   MET 112           HE2      MET 112  21.770  -9.904   4.247
  939    H    LYS 113           HN       LYS 113  26.643  -7.002   0.940
  940    HA   LYS 113           HA       LYS 113  28.739  -8.941   0.771
  941   1HB   LYS 113           HB2      LYS 113  27.128  -8.736  -1.041
  942   2HB   LYS 113           HB1      LYS 113  27.616  -7.073  -1.325
  943   1HG   LYS 113           HG2      LYS 113  28.534  -8.628  -2.988
  944   2HG   LYS 113           HG1      LYS 113  29.794  -7.789  -2.081
  945   1HD   LYS 113           HD2      LYS 113  29.147 -10.199  -0.705
  946   2HD   LYS 113           HD1      LYS 113  29.414 -10.586  -2.406
  947   1HE   LYS 113           HE2      LYS 113  31.311  -8.916  -0.762
  948   2HE   LYS 113           HE1      LYS 113  31.459 -10.669  -0.926
  949   1HZ   LYS 113           HZ2      LYS 113  31.493  -8.739  -3.191
  950   2HZ   LYS 113           HZ1      LYS 113  32.870  -9.444  -2.492
  951   3HZ   LYS 113           HZ3      LYS 113  31.732 -10.414  -3.291
  952    H    LEU 114           HN       LEU 114  28.638  -5.426   0.784
  953    HA   LEU 114           HA       LEU 114  31.442  -5.329   0.053
  954   1HB   LEU 114           HB2      LEU 114  29.474  -3.091   0.520
  955   2HB   LEU 114           HB1      LEU 114  31.118  -2.884  -0.053
  956    HG   LEU 114           HG       LEU 114  28.902  -4.317  -1.516
  957   1HD1  LEU 114          1HD1      LEU 114  30.265  -1.681  -2.046
  958   2HD1  LEU 114          3HD1      LEU 114  29.068  -2.452  -3.088
  959   3HD1  LEU 114          2HD1      LEU 114  28.610  -1.903  -1.475
  960   1HD2  LEU 114          1HD2      LEU 114  31.078  -5.331  -1.949
  961   2HD2  LEU 114          3HD2      LEU 114  30.491  -4.460  -3.366
  962   3HD2  LEU 114          2HD2      LEU 114  31.745  -3.749  -2.350
  963    H    MET 115           HN       MET 115  29.434  -3.799   2.571
  964    HA   MET 115           HA       MET 115  31.818  -3.089   4.045
  965   1HB   MET 115           HB2      MET 115  30.063  -1.435   3.798
  966   2HB   MET 115           HB1      MET 115  28.894  -2.519   4.536
  967   1HG   MET 115           HG2      MET 115  30.133  -2.405   6.647
  968   2HG   MET 115           HG1      MET 115  31.282  -1.296   5.899
  969   1HE   MET 115           HE2      MET 115  27.432  -1.373   5.193
  970   2HE   MET 115           HE1      MET 115  27.500  -1.817   6.900
  971   3HE   MET 115           HE3      MET 115  26.813  -0.264   6.418
  972    H    GLU 116           HN       GLU 116  28.895  -5.025   4.634
  973    HA   GLU 116           HA       GLU 116  29.613  -5.755   7.261
  974   1HB   GLU 116           HB2      GLU 116  27.703  -7.042   5.335
  975   2HB   GLU 116           HB1      GLU 116  27.832  -7.457   7.040
  976   1HG   GLU 116           HG2      GLU 116  27.127  -4.732   5.977
  977   2HG   GLU 116           HG1      GLU 116  25.969  -5.929   6.553
  978    H    LEU 117           HN       LEU 117  30.242  -7.121   4.161
  979    HA   LEU 117           HA       LEU 117  31.224  -9.642   5.021
  980   1HB   LEU 117           HB2      LEU 117  30.448  -8.779   2.666
  981   2HB   LEU 117           HB1      LEU 117  32.124  -8.308   2.494
  982    HG   LEU 117           HG       LEU 117  31.528 -10.505   1.452
  983   1HD1  LEU 117          1HD1      LEU 117  33.837  -9.972   2.001
  984   2HD1  LEU 117          3HD1      LEU 117  33.605 -10.609   3.628
  985   3HD1  LEU 117          2HD1      LEU 117  33.507 -11.689   2.237
  986   1HD2  LEU 117          3HD2      LEU 117  29.958 -11.267   3.167
  987   2HD2  LEU 117          2HD2      LEU 117  31.238 -12.446   2.885
  988   3HD2  LEU 117          1HD2      LEU 117  31.289 -11.416   4.315
  989    H    ALA 118           HN       ALA 118  32.672  -6.506   4.409
  990    HA   ALA 118           HA       ALA 118  34.704  -5.605   4.808
  991   1HB   ALA 118           HB3      ALA 118  36.225  -6.622   6.436
  992   2HB   ALA 118           HB1      ALA 118  35.213  -8.065   6.485
  993   3HB   ALA 118           HB2      ALA 118  34.578  -6.523   7.063
  994    H    ILE 119           HN       ILE 119  35.021  -5.860   2.607
  995    HA   ILE 119           HA       ILE 119  36.113  -8.291   1.536
  996    HB   ILE 119           HB       ILE 119  36.060  -7.097  -0.616
  997   1HG1  ILE 119          2HG1      ILE 119  34.999  -4.784   1.025
  998   2HG1  ILE 119          1HG1      ILE 119  36.576  -4.836   0.244
  999   1HG2  ILE 119          2HG2      ILE 119  34.087  -8.296   0.224
 1000   2HG2  ILE 119          1HG2      ILE 119  33.521  -6.808   0.980
 1001   3HG2  ILE 119          3HG2      ILE 119  33.640  -6.915  -0.775
 1002   1HD1  ILE 119          3HD1      ILE 119  35.478  -4.949  -1.940
 1003   2HD1  ILE 119          2HD1      ILE 119  33.905  -4.875  -1.146
 1004   3HD1  ILE 119          1HD1      ILE 119  35.012  -3.506  -1.040
 1005    H    LEU 120           HN       LEU 120  37.892  -7.789  -0.269
 1006    HA   LEU 120           HA       LEU 120  40.248  -7.205   1.248
 1007   1HB   LEU 120           HB2      LEU 120  39.737  -8.125  -1.555
 1008   2HB   LEU 120           HB1      LEU 120  41.335  -7.573  -1.092
 1009    HG   LEU 120           HG       LEU 120  41.206  -9.993  -0.974
 1010   1HD1  LEU 120          3HD1      LEU 120  42.643  -8.827   0.608
 1011   2HD1  LEU 120          2HD1      LEU 120  41.312  -8.732   1.762
 1012   3HD1  LEU 120          1HD1      LEU 120  41.982 -10.303   1.315
 1013   1HD2  LEU 120          2HD2      LEU 120  38.995  -9.563   1.034
 1014   2HD2  LEU 120          1HD2      LEU 120  38.820 -10.256  -0.579
 1015   3HD2  LEU 120          3HD2      LEU 120  39.750 -11.113   0.649
 1016    H    ASN 121           HN       ASN 121  40.084  -5.043   1.773
 1017    HA   ASN 121           HA       ASN 121  40.984  -3.320  -0.416
 1018   1HB   ASN 121           HB2      ASN 121  39.828  -1.398   0.876
 1019   2HB   ASN 121           HB1      ASN 121  38.854  -2.440  -0.144
 1020   1HD2  ASN 121          1HD2      ASN 121  40.032  -3.372   3.042
 1021   2HD2  ASN 121          2HD2      ASN 121  38.481  -3.400   3.796
 1022    H    GLY 122           HN       GLY 122  43.096  -3.870   0.280
 1023   1HA   GLY 122           HA1      GLY 122  44.126  -1.843   2.033
 1024   2HA   GLY 122           HA2      GLY 122  45.065  -3.027   1.139
 1025    H    THR 123           HN       THR 123  42.745  -3.006   3.825
 1026    HA   THR 123           HA       THR 123  44.447  -3.439   5.900
 1027    HB   THR 123           HB       THR 123  41.648  -4.536   5.673
 1028    HG1  THR 123           HG1      THR 123  41.899  -2.167   6.974
 1029   1HG2  THR 123          3HG2      THR 123  43.291  -3.725   8.079
 1030   2HG2  THR 123          2HG2      THR 123  41.587  -4.173   8.117
 1031   3HG2  THR 123          1HG2      THR 123  42.802  -5.364   7.654
 1032    H    TYR 124           HN       TYR 124  42.857  -5.995   4.001
 1033    HA   TYR 124           HA       TYR 124  44.036  -8.030   5.692
 1034   1HB   TYR 124           HB2      TYR 124  42.242  -8.257   3.275
 1035   2HB   TYR 124           HB1      TYR 124  42.780  -9.614   4.264
 1036    HD1  TYR 124           HD1      TYR 124  40.692  -6.584   4.206
 1037    HD2  TYR 124           HD2      TYR 124  41.809 -10.042   6.415
 1038    HE1  TYR 124           HE1      TYR 124  38.773  -6.236   5.704
 1039    HE2  TYR 124           HE2      TYR 124  39.897  -9.703   7.922
 1040    HH   TYR 124           HH       TYR 124  37.348  -7.589   7.210
 1041    H    ARG 125           HN       ARG 125  43.852  -8.135   2.147
 1042    HA   ARG 125           HA       ARG 125  45.358  -8.698   0.548
 1043   1HB   ARG 125           HB2      ARG 125  47.234  -7.548   2.587
 1044   2HB   ARG 125           HB1      ARG 125  47.848  -8.287   1.116
 1045   1HG   ARG 125           HG2      ARG 125  45.885  -6.006   1.207
 1046   2HG   ARG 125           HG1      ARG 125  47.623  -5.846   0.944
 1047   1HD   ARG 125           HD2      ARG 125  47.457  -7.207  -1.069
 1048   2HD   ARG 125           HD1      ARG 125  45.727  -7.411  -0.802
 1049    HE   ARG 125           HE       ARG 125  45.623  -4.902  -1.066
 1050   1HH1  ARG 125          1HH1      ARG 125  48.126  -6.832  -2.573
 1051   2HH1  ARG 125          2HH1      ARG 125  48.343  -5.743  -3.907
 1052   1HH2  ARG 125          1HH2      ARG 125  45.917  -3.451  -2.812
 1053   2HH2  ARG 125          2HH2      ARG 125  47.106  -3.812  -4.035
 1054    H    ASP 126           HN       ASP 126  45.981  -9.942   3.744
 1055    HA   ASP 126           HA       ASP 126  47.421 -12.246   3.144
 1056   1HB   ASP 126           HB2      ASP 126  47.010 -11.516   5.426
 1057   2HB   ASP 126           HB1      ASP 126  45.276 -11.733   5.216
 1058    H    ALA 127           HN       ALA 127  43.906 -11.998   3.637
 1059    HA   ALA 127           HA       ALA 127  43.398 -14.483   2.303
 1060   1HB   ALA 127           HB2      ALA 127  41.480 -12.382   3.306
 1061   2HB   ALA 127           HB1      ALA 127  41.048 -14.007   2.774
 1062   3HB   ALA 127           HB3      ALA 127  42.043 -13.786   4.214
 1063    H    ASN 128           HN       ASN 128  44.546 -12.027   0.891
 1064    HA   ASN 128           HA       ASN 128  42.563 -11.445  -1.133
 1065   1HB   ASN 128           HB2      ASN 128  44.225  -9.740  -0.431
 1066   2HB   ASN 128           HB1      ASN 128  45.518 -10.768  -1.037
 1067   1HD2  ASN 128          1HD2      ASN 128  45.839 -10.943  -3.247
 1068   2HD2  ASN 128          2HD2      ASN 128  45.100  -9.871  -4.386
 1069    H    LEU 129           HN       LEU 129  45.175 -13.622  -0.562
 1070    HA   LEU 129           HA       LEU 129  45.048 -14.624  -3.313
 1071   1HB   LEU 129           HB2      LEU 129  47.285 -14.254  -2.343
 1072   2HB   LEU 129           HB1      LEU 129  46.902 -15.367  -1.044
 1073    HG   LEU 129           HG       LEU 129  46.691 -17.189  -2.701
 1074   1HD1  LEU 129          3HD1      LEU 129  47.681 -15.101  -4.633
 1075   2HD1  LEU 129          2HD1      LEU 129  47.585 -16.830  -4.967
 1076   3HD1  LEU 129          1HD1      LEU 129  46.113 -15.907  -4.664
 1077   1HD2  LEU 129          2HD2      LEU 129  49.320 -15.718  -2.701
 1078   2HD2  LEU 129          1HD2      LEU 129  48.769 -16.885  -1.499
 1079   3HD2  LEU 129          3HD2      LEU 129  49.094 -17.409  -3.151
 1080    H    LYS 130           HN       LYS 130  43.706 -16.249  -3.729
 1081    HA   LYS 130           HA       LYS 130  42.440 -17.672  -1.593
 1082   1HB   LYS 130           HB2      LYS 130  41.183 -18.812  -3.377
 1083   2HB   LYS 130           HB1      LYS 130  41.124 -17.062  -3.527
 1084   1HG   LYS 130           HG2      LYS 130  42.875 -17.188  -5.266
 1085   2HG   LYS 130           HG1      LYS 130  42.814 -18.951  -5.152
 1086   1HD   LYS 130           HD2      LYS 130  40.405 -18.857  -5.713
 1087   2HD   LYS 130           HD1      LYS 130  40.557 -17.114  -5.940
 1088   1HE   LYS 130           HE2      LYS 130  42.170 -17.477  -7.729
 1089   2HE   LYS 130           HE1      LYS 130  42.060 -19.222  -7.488
 1090   1HZ   LYS 130           HZ1      LYS 130  39.663 -19.041  -8.017
 1091   2HZ   LYS 130           HZ3      LYS 130  39.898 -17.408  -8.410
 1092   3HZ   LYS 130           HZ2      LYS 130  40.669 -18.616  -9.315
 1093    H    SER 131           HN       SER 131  42.132 -20.208  -2.305
 1094    HA   SER 131           HA       SER 131  43.080 -22.221  -1.870
 1095   1HB   SER 131           HB2      SER 131  45.324 -21.107  -3.577
 1096   2HB   SER 131           HB1      SER 131  45.142 -22.801  -3.126
 1097    HG   SER 131           HG       SER 131  43.694 -23.035  -4.625
 1098    HA   PRO 132           HA       PRO 132  45.724 -20.109   1.387
 1099   1HB   PRO 132           HB2      PRO 132  43.777 -21.087   3.323
 1100   2HB   PRO 132           HB1      PRO 132  44.288 -19.428   3.001
 1101   1HG   PRO 132           HG2      PRO 132  41.816 -20.339   2.377
 1102   2HG   PRO 132           HG1      PRO 132  42.642 -19.086   1.432
 1103   1HD   PRO 132           HD2      PRO 132  42.363 -22.016   0.863
 1104   2HD   PRO 132           HD1      PRO 132  42.209 -20.635  -0.246
 1105    H    ALA 133           HN       ALA 133  44.717 -23.210   0.658
 1106    HA   ALA 133           HA       ALA 133  46.649 -24.356   2.568
 1107   1HB   ALA 133           HB1      ALA 133  44.113 -25.634   1.536
 1108   2HB   ALA 133           HB3      ALA 133  45.307 -26.412   2.574
 1109   3HB   ALA 133           HB2      ALA 133  44.385 -25.032   3.173
 1110    H    LEU 134           HN       LEU 134  46.799 -23.317  -0.239
 1111    HA   LEU 134           HA       LEU 134  47.823 -23.784  -2.198
 1112   1HB   LEU 134           HB2      LEU 134  48.840 -26.181  -0.667
 1113   2HB   LEU 134           HB1      LEU 134  49.411 -25.706  -2.254
 1114    HG   LEU 134           HG       LEU 134  49.684 -24.074   0.272
 1115   1HD1  LEU 134          3HD1      LEU 134  51.703 -25.636  -1.333
 1116   2HD1  LEU 134          2HD1      LEU 134  52.084 -24.558   0.011
 1117   3HD1  LEU 134          1HD1      LEU 134  51.130 -26.015   0.291
 1118   1HD2  LEU 134          2HD2      LEU 134  50.686 -23.571  -2.528
 1119   2HD2  LEU 134          1HD2      LEU 134  49.450 -22.646  -1.676
 1120   3HD2  LEU 134          3HD2      LEU 134  51.118 -22.624  -1.104

  No H/Q in entry =        1120
  Start of MODEL    5
    1    H1   GLN   1           HT1      GLN   1 -11.625  14.036 -12.184
    2    H2   GLN   1           HT3      GLN   1 -12.137  15.503 -11.497
    3    H3   GLN   1           HT2      GLN   1 -10.846  15.481 -12.598
    4    HA   GLN   1           HA       GLN   1  -9.995  15.736 -10.389
    5   1HB   GLN   1           HB2      GLN   1 -10.413  14.171  -8.656
    6   2HB   GLN   1           HB1      GLN   1 -11.984  14.541  -9.342
    7   1HG   GLN   1           HG2      GLN   1 -11.653  12.416 -10.729
    8   2HG   GLN   1           HG1      GLN   1 -10.348  12.067  -9.606
    9   1HE2  GLN   1          1HE2      GLN   1 -11.447  10.225  -8.880
   10   2HE2  GLN   1          2HE2      GLN   1 -12.780  10.361  -7.789
   11    H    LEU   2           HN       LEU   2  -8.283  14.020  -9.404
   12    HA   LEU   2           HA       LEU   2  -7.348  12.382 -11.661
   13   1HB   LEU   2           HB2      LEU   2  -5.070  12.959 -11.282
   14   2HB   LEU   2           HB1      LEU   2  -5.968  14.452 -11.412
   15    HG   LEU   2           HG       LEU   2  -5.951  14.356  -8.789
   16   1HD1  LEU   2          3HD1      LEU   2  -3.534  12.689  -9.488
   17   2HD1  LEU   2          2HD1      LEU   2  -3.898  13.370  -7.902
   18   3HD1  LEU   2          1HD1      LEU   2  -4.953  12.140  -8.594
   19   1HD2  LEU   2          3HD2      LEU   2  -4.917  16.079 -10.193
   20   2HD2  LEU   2          2HD2      LEU   2  -3.915  15.677  -8.799
   21   3HD2  LEU   2          1HD2      LEU   2  -3.496  15.054 -10.394
   22    H    GLN   3           HN       GLN   3  -6.681  10.359 -11.179
   23    HA   GLN   3           HA       GLN   3  -6.489   9.660  -8.323
   24   1HB   GLN   3           HB2      GLN   3  -7.526   7.757 -10.409
   25   2HB   GLN   3           HB1      GLN   3  -7.575   7.579  -8.665
   26   1HG   GLN   3           HG2      GLN   3  -9.161   9.543  -8.648
   27   2HG   GLN   3           HG1      GLN   3  -9.251   9.356 -10.402
   28   1HE2  GLN   3          1HE2      GLN   3  -8.872   6.399 -10.072
   29   2HE2  GLN   3          2HE2      GLN   3 -10.409   5.802  -9.554
   30    H    GLU   4           HN       GLU   4  -4.658   8.622  -7.806
   31    HA   GLU   4           HA       GLU   4  -3.177   7.355 -10.013
   32   1HB   GLU   4           HB2      GLU   4  -1.845   8.154  -7.454
   33   2HB   GLU   4           HB1      GLU   4  -1.138   7.940  -9.053
   34   1HG   GLU   4           HG2      GLU   4  -2.803   9.992  -9.548
   35   2HG   GLU   4           HG1      GLU   4  -2.459  10.272  -7.843
   36    H    LYS   5           HN       LYS   5  -2.793   5.222  -9.826
   37    HA   LYS   5           HA       LYS   5  -3.835   4.000  -7.358
   38   1HB   LYS   5           HB2      LYS   5  -3.770   2.545  -9.979
   39   2HB   LYS   5           HB1      LYS   5  -4.730   2.206  -8.562
   40   1HG   LYS   5           HG2      LYS   5  -6.278   3.017 -10.080
   41   2HG   LYS   5           HG1      LYS   5  -5.941   4.388  -9.023
   42   1HD   LYS   5           HD2      LYS   5  -4.481   5.356 -10.699
   43   2HD   LYS   5           HD1      LYS   5  -4.708   3.953 -11.751
   44   1HE   LYS   5           HE2      LYS   5  -7.075   4.482 -11.948
   45   2HE   LYS   5           HE1      LYS   5  -6.882   5.841 -10.842
   46   1HZ   LYS   5           HZ3      LYS   5  -5.203   6.699 -12.537
   47   2HZ   LYS   5           HZ2      LYS   5  -5.861   5.561 -13.605
   48   3HZ   LYS   5           HZ1      LYS   5  -6.845   6.783 -12.961
   49    H    LEU   6           HN       LEU   6  -2.323   3.135  -6.198
   50    HA   LEU   6           HA       LEU   6   0.101   2.152  -7.525
   51   1HB   LEU   6           HB2      LEU   6  -0.286   2.690  -4.584
   52   2HB   LEU   6           HB1      LEU   6   1.228   2.539  -5.465
   53    HG   LEU   6           HG       LEU   6  -0.765   4.776  -5.868
   54   1HD1  LEU   6          1HD1      LEU   6   0.294   4.823  -3.636
   55   2HD1  LEU   6          3HD1      LEU   6   1.875   4.864  -4.421
   56   3HD1  LEU   6          2HD1      LEU   6   0.735   6.196  -4.651
   57   1HD2  LEU   6          1HD2      LEU   6   0.601   4.276  -7.837
   58   2HD2  LEU   6          3HD2      LEU   6   1.015   5.840  -7.136
   59   3HD2  LEU   6          2HD2      LEU   6   2.063   4.446  -6.865
   60    H    TYR   7           HN       TYR   7  -0.267   0.130  -8.073
   61    HA   TYR   7           HA       TYR   7  -2.170  -1.503  -6.720
   62   1HB   TYR   7           HB2      TYR   7  -0.471  -1.763  -9.142
   63   2HB   TYR   7           HB1      TYR   7  -1.090  -3.247  -8.412
   64    HD1  TYR   7           HD1      TYR   7  -3.368  -3.852  -8.608
   65    HD2  TYR   7           HD2      TYR   7  -2.069  -0.040  -9.974
   66    HE1  TYR   7           HE1      TYR   7  -5.531  -3.524  -9.719
   67    HE2  TYR   7           HE2      TYR   7  -4.231   0.299 -11.099
   68    HH   TYR   7           HH       TYR   7  -6.087  -1.036 -11.969
   69    H    VAL   8           HN       VAL   8  -1.944  -3.007  -5.263
   70    HA   VAL   8           HA       VAL   8   0.668  -4.323  -4.974
   71    HB   VAL   8           HB       VAL   8  -0.069  -4.797  -2.575
   72   1HG1  VAL   8          1HG1      VAL   8   1.713  -3.217  -3.124
   73   2HG1  VAL   8          3HG1      VAL   8   0.519  -1.933  -3.316
   74   3HG1  VAL   8          2HG1      VAL   8   0.774  -2.672  -1.734
   75   1HG2  VAL   8          3HG2      VAL   8  -1.956  -2.514  -3.178
   76   2HG2  VAL   8          2HG2      VAL   8  -2.412  -4.182  -2.811
   77   3HG2  VAL   8          1HG2      VAL   8  -1.635  -3.187  -1.576
   78    HA   PRO   9           HA       PRO   9  -2.198  -7.406  -6.386
   79   1HB   PRO   9           HB2      PRO   9  -0.412  -9.358  -6.944
   80   2HB   PRO   9           HB1      PRO   9  -0.639  -7.940  -7.979
   81   1HG   PRO   9           HG2      PRO   9   1.486  -8.496  -5.953
   82   2HG   PRO   9           HG1      PRO   9   1.630  -7.739  -7.551
   83   1HD   PRO   9           HD2      PRO   9   1.550  -6.321  -5.204
   84   2HD   PRO   9           HD1      PRO   9   1.017  -5.670  -6.765
   85    H    VAL  10           HN       VAL  10  -3.269  -7.761  -4.484
   86    HA   VAL  10           HA       VAL  10  -2.203  -9.029  -2.218
   87    HB   VAL  10           HB       VAL  10  -4.269  -7.648  -2.253
   88   1HG1  VAL  10          1HG1      VAL  10  -5.336  -8.560  -4.219
   89   2HG1  VAL  10          3HG1      VAL  10  -5.547 -10.111  -3.406
   90   3HG1  VAL  10          2HG1      VAL  10  -6.405  -8.684  -2.820
   91   1HG2  VAL  10          3HG2      VAL  10  -3.701  -9.003  -0.321
   92   2HG2  VAL  10          2HG2      VAL  10  -5.450  -8.948  -0.548
   93   3HG2  VAL  10          1HG2      VAL  10  -4.542 -10.384  -1.024
   94    H    LYS  11           HN       LYS  11  -3.637 -10.258  -5.136
   95    HA   LYS  11           HA       LYS  11  -3.983 -12.939  -4.300
   96   1HB   LYS  11           HB2      LYS  11  -3.640 -11.642  -6.995
   97   2HB   LYS  11           HB1      LYS  11  -3.888 -13.375  -6.807
   98   1HG   LYS  11           HG2      LYS  11  -5.766 -11.371  -5.616
   99   2HG   LYS  11           HG1      LYS  11  -5.925 -11.934  -7.276
  100   1HD   LYS  11           HD2      LYS  11  -6.010 -14.261  -6.426
  101   2HD   LYS  11           HD1      LYS  11  -5.965 -13.626  -4.783
  102   1HE   LYS  11           HE2      LYS  11  -8.069 -12.460  -5.158
  103   2HE   LYS  11           HE1      LYS  11  -8.103 -13.032  -6.827
  104   1HZ   LYS  11           HZ3      LYS  11  -8.162 -15.320  -5.963
  105   2HZ   LYS  11           HZ2      LYS  11  -8.257 -14.716  -4.380
  106   3HZ   LYS  11           HZ1      LYS  11  -9.513 -14.415  -5.479
  107    H    GLU  12           HN       GLU  12  -1.263 -11.070  -5.287
  108    HA   GLU  12           HA       GLU  12   0.463 -13.308  -5.810
  109   1HB   GLU  12           HB2      GLU  12   0.997 -10.362  -5.457
  110   2HB   GLU  12           HB1      GLU  12   2.251 -11.550  -5.809
  111   1HG   GLU  12           HG2      GLU  12  -0.137 -11.006  -7.555
  112   2HG   GLU  12           HG1      GLU  12   1.480 -10.358  -7.814
  113    H    TYR  13           HN       TYR  13  -0.434 -11.333  -3.112
  114    HA   TYR  13           HA       TYR  13   1.462 -12.833  -1.428
  115   1HB   TYR  13           HB2      TYR  13   0.540  -9.992  -0.948
  116   2HB   TYR  13           HB1      TYR  13   1.734 -10.888  -0.012
  117    HD1  TYR  13           HD1      TYR  13   3.990 -11.196  -0.851
  118    HD2  TYR  13           HD2      TYR  13   1.076  -9.111  -3.133
  119    HE1  TYR  13           HE1      TYR  13   5.762 -10.362  -2.342
  120    HE2  TYR  13           HE2      TYR  13   2.820  -8.277  -4.630
  121    HH   TYR  13           HH       TYR  13   5.383  -7.855  -4.454
  122    HA   PRO  14           HA       PRO  14  -2.888 -13.588   0.017
  123   1HB   PRO  14           HB2      PRO  14  -2.547 -16.251   0.463
  124   2HB   PRO  14           HB1      PRO  14  -3.025 -15.591  -1.106
  125   1HG   PRO  14           HG2      PRO  14  -0.330 -16.482  -0.165
  126   2HG   PRO  14           HG1      PRO  14  -1.110 -16.737  -1.737
  127   1HD   PRO  14           HD2      PRO  14   0.779 -14.835  -1.316
  128   2HD   PRO  14           HD1      PRO  14  -0.525 -14.649  -2.504
  129    H    ASP  15           HN       ASP  15   0.285 -14.101   1.180
  130    HA   ASP  15           HA       ASP  15  -0.581 -14.636   3.908
  131   1HB   ASP  15           HB2      ASP  15   2.138 -14.541   2.599
  132   2HB   ASP  15           HB1      ASP  15   1.932 -14.687   4.341
  133    H    PHE  16           HN       PHE  16   0.003 -11.962   1.959
  134    HA   PHE  16           HA       PHE  16   0.462 -10.310   4.353
  135   1HB   PHE  16           HB2      PHE  16   2.340 -10.351   2.612
  136   2HB   PHE  16           HB1      PHE  16   1.238  -9.411   1.598
  137    HD1  PHE  16           HD1      PHE  16   3.015  -9.452   4.826
  138    HD2  PHE  16           HD2      PHE  16   0.884  -7.114   1.985
  139    HE1  PHE  16           HE1      PHE  16   3.664  -7.407   6.027
  140    HE2  PHE  16           HE2      PHE  16   1.540  -5.072   3.171
  141    HZ   PHE  16           HZ       PHE  16   2.917  -5.215   5.203
  142    H    ASN  17           HN       ASN  17  -1.388  -9.540   4.908
  143    HA   ASN  17           HA       ASN  17  -3.462  -8.880   3.024
  144   1HB   ASN  17           HB2      ASN  17  -4.471  -7.942   5.278
  145   2HB   ASN  17           HB1      ASN  17  -4.407  -9.676   4.973
  146   1HD2  ASN  17          1HD2      ASN  17  -2.717  -7.015   6.583
  147   2HD2  ASN  17          2HD2      ASN  17  -1.992  -7.994   7.818
  148    H    PHE  18           HN       PHE  18  -2.703  -7.135   1.767
  149    HA   PHE  18           HA       PHE  18  -1.429  -4.883   2.796
  150   1HB   PHE  18           HB2      PHE  18  -3.141  -5.122   0.321
  151   2HB   PHE  18           HB1      PHE  18  -2.135  -3.722   0.720
  152    HD1  PHE  18           HD1      PHE  18   0.308  -4.344   1.391
  153    HD2  PHE  18           HD2      PHE  18  -2.186  -6.721  -1.102
  154    HE1  PHE  18           HE1      PHE  18   2.292  -5.403   0.446
  155    HE2  PHE  18           HE2      PHE  18  -0.183  -7.809  -2.079
  156    HZ   PHE  18           HZ       PHE  18   2.056  -7.137  -1.282
  157    H    VAL  19           HN       VAL  19  -4.917  -5.505   2.490
  158    HA   VAL  19           HA       VAL  19  -5.693  -2.938   3.365
  159    HB   VAL  19           HB       VAL  19  -7.819  -4.227   4.104
  160   1HG1  VAL  19          2HG1      VAL  19  -7.668  -2.811   2.136
  161   2HG1  VAL  19          1HG1      VAL  19  -6.934  -4.134   1.230
  162   3HG1  VAL  19          3HG1      VAL  19  -8.604  -4.265   1.783
  163   1HG2  VAL  19          1HG2      VAL  19  -6.824  -6.449   4.157
  164   2HG2  VAL  19          3HG2      VAL  19  -8.129  -6.373   2.972
  165   3HG2  VAL  19          2HG2      VAL  19  -6.449  -6.326   2.437
  166    H    GLY  20           HN       GLY  20  -5.390  -6.020   5.167
  167   1HA   GLY  20           HA1      GLY  20  -4.954  -6.398   7.393
  168   2HA   GLY  20           HA2      GLY  20  -5.850  -4.922   7.714
  169    H    ARG  21           HN       ARG  21  -3.221  -4.579   5.612
  170    HA   ARG  21           HA       ARG  21  -1.332  -3.865   7.684
  171   1HB   ARG  21           HB2      ARG  21  -0.127  -4.906   6.056
  172   2HB   ARG  21           HB1      ARG  21  -1.234  -4.446   4.778
  173   1HG   ARG  21           HG2      ARG  21   0.573  -3.218   4.156
  174   2HG   ARG  21           HG1      ARG  21  -0.175  -2.052   5.250
  175   1HD   ARG  21           HD2      ARG  21   2.095  -3.931   5.853
  176   2HD   ARG  21           HD1      ARG  21   2.180  -2.189   5.712
  177    HE   ARG  21           HE       ARG  21   0.596  -2.218   7.719
  178   1HH1  ARG  21          1HH1      ARG  21   3.081  -4.618   7.143
  179   2HH1  ARG  21          2HH1      ARG  21   3.241  -5.036   8.816
  180   1HH2  ARG  21          1HH2      ARG  21   0.811  -2.780   9.936
  181   2HH2  ARG  21          2HH2      ARG  21   1.953  -4.005  10.401
  182    H    ILE  22           HN       ILE  22  -3.250  -2.332   5.162
  183    HA   ILE  22           HA       ILE  22  -2.022   0.252   5.645
  184    HB   ILE  22           HB       ILE  22  -4.038  -0.761   3.663
  185   1HG1  ILE  22          2HG1      ILE  22  -1.734  -1.310   3.161
  186   2HG1  ILE  22          1HG1      ILE  22  -2.307  -0.095   2.024
  187   1HG2  ILE  22          2HG2      ILE  22  -4.766   1.455   4.274
  188   2HG2  ILE  22          1HG2      ILE  22  -3.145   2.093   3.978
  189   3HG2  ILE  22          3HG2      ILE  22  -4.098   1.450   2.640
  190   1HD1  ILE  22          3HD1      ILE  22  -1.165   1.632   3.395
  191   2HD1  ILE  22          2HD1      ILE  22  -0.485   0.336   4.379
  192   3HD1  ILE  22          1HD1      ILE  22  -0.080   0.448   2.669
  193    H    LEU  23           HN       LEU  23  -5.318  -1.104   5.710
  194    HA   LEU  23           HA       LEU  23  -6.178   1.304   7.136
  195   1HB   LEU  23           HB2      LEU  23  -8.498   0.449   6.492
  196   2HB   LEU  23           HB1      LEU  23  -7.475   1.102   5.228
  197    HG   LEU  23           HG       LEU  23  -6.819  -1.357   4.780
  198   1HD1  LEU  23          3HD1      LEU  23  -9.349  -1.739   6.359
  199   2HD1  LEU  23          2HD1      LEU  23  -8.615  -2.960   5.317
  200   3HD1  LEU  23          1HD1      LEU  23  -7.745  -2.371   6.736
  201   1HD2  LEU  23          1HD2      LEU  23  -8.120   0.023   3.259
  202   2HD2  LEU  23          3HD2      LEU  23  -8.705  -1.640   3.281
  203   3HD2  LEU  23          2HD2      LEU  23  -9.593  -0.383   4.140
  204    H    GLY  24           HN       GLY  24  -5.595  -1.999   7.585
  205   1HA   GLY  24           HA1      GLY  24  -5.867  -3.416   9.369
  206   2HA   GLY  24           HA2      GLY  24  -7.554  -2.972   9.204
  207    HA   PRO  25           HA       PRO  25  -6.084  -1.313  13.275
  208   1HB   PRO  25           HB2      PRO  25  -3.489  -1.253  13.938
  209   2HB   PRO  25           HB1      PRO  25  -4.380  -2.773  13.819
  210   1HG   PRO  25           HG2      PRO  25  -2.388  -1.600  11.959
  211   2HG   PRO  25           HG1      PRO  25  -2.748  -3.300  12.299
  212   1HD   PRO  25           HD2      PRO  25  -3.661  -1.768  10.100
  213   2HD   PRO  25           HD1      PRO  25  -4.190  -3.398  10.562
  214    H    ARG  26           HN       ARG  26  -4.221   0.069  10.673
  215    HA   ARG  26           HA       ARG  26  -4.089   2.622  12.125
  216   1HB   ARG  26           HB2      ARG  26  -2.026   3.111  10.826
  217   2HB   ARG  26           HB1      ARG  26  -1.866   1.750  11.926
  218   1HG   ARG  26           HG2      ARG  26  -2.240   0.228   9.997
  219   2HG   ARG  26           HG1      ARG  26  -2.207   1.644   8.940
  220   1HD   ARG  26           HD2      ARG  26  -0.023   0.579   8.988
  221   2HD   ARG  26           HD1      ARG  26   0.054   2.171   9.742
  222    HE   ARG  26           HE       ARG  26  -0.425   0.174  11.693
  223   1HH1  ARG  26          1HH1      ARG  26   2.130   1.514   9.705
  224   2HH1  ARG  26          2HH1      ARG  26   3.399   0.983  10.766
  225   1HH2  ARG  26          1HH2      ARG  26   1.235  -0.491  13.102
  226   2HH2  ARG  26          2HH2      ARG  26   2.896  -0.146  12.693
  227    H    GLY  27           HN       GLY  27  -6.231   1.690  10.338
  228   1HA   GLY  27           HA1      GLY  27  -7.635   2.716   8.826
  229   2HA   GLY  27           HA2      GLY  27  -6.190   2.927   7.839
  230    H    LEU  28           HN       LEU  28  -6.101   4.366  10.920
  231    HA   LEU  28           HA       LEU  28  -7.207   6.869  10.548
  232   1HB   LEU  28           HB2      LEU  28  -4.770   5.999  12.093
  233   2HB   LEU  28           HB1      LEU  28  -5.340   7.654  12.113
  234    HG   LEU  28           HG       LEU  28  -6.125   6.596  14.089
  235   1HD1  LEU  28          3HD1      LEU  28  -8.360   6.807  12.086
  236   2HD1  LEU  28          2HD1      LEU  28  -8.560   6.768  13.837
  237   3HD1  LEU  28          1HD1      LEU  28  -7.701   8.109  13.075
  238   1HD2  LEU  28          3HD2      LEU  28  -5.911   4.261  13.327
  239   2HD2  LEU  28          2HD2      LEU  28  -7.445   4.579  14.136
  240   3HD2  LEU  28          1HD2      LEU  28  -7.384   4.459  12.378
  241    H    THR  29           HN       THR  29  -4.214   5.527   9.306
  242    HA   THR  29           HA       THR  29  -2.963   7.932   8.597
  243    HB   THR  29           HB       THR  29  -1.835   5.689   8.640
  244    HG1  THR  29           HG1      THR  29  -0.359   6.616   7.458
  245   1HG2  THR  29          1HG2      THR  29  -3.480   4.392   7.372
  246   2HG2  THR  29          3HG2      THR  29  -3.136   5.354   5.932
  247   3HG2  THR  29          2HG2      THR  29  -1.889   4.311   6.615
  248    H    ALA  30           HN       ALA  30  -5.251   5.898   6.813
  249    HA   ALA  30           HA       ALA  30  -5.144   7.345   4.389
  250   1HB   ALA  30           HB3      ALA  30  -6.093   5.093   4.528
  251   2HB   ALA  30           HB1      ALA  30  -7.258   6.230   3.848
  252   3HB   ALA  30           HB2      ALA  30  -7.414   5.705   5.524
  253    H    LYS  31           HN       LYS  31  -7.114   7.612   7.283
  254    HA   LYS  31           HA       LYS  31  -8.827   9.670   6.405
  255   1HB   LYS  31           HB2      LYS  31  -7.848   8.905   9.153
  256   2HB   LYS  31           HB1      LYS  31  -9.129  10.080   8.860
  257   1HG   LYS  31           HG2      LYS  31 -10.470   8.341   7.778
  258   2HG   LYS  31           HG1      LYS  31  -9.193   7.166   8.101
  259   1HD   LYS  31           HD2      LYS  31  -9.478   7.425  10.470
  260   2HD   LYS  31           HD1      LYS  31 -10.618   8.750  10.231
  261   1HE   LYS  31           HE2      LYS  31 -11.801   6.705  10.780
  262   2HE   LYS  31           HE1      LYS  31 -12.173   7.207   9.132
  263   1HZ   LYS  31           HZ3      LYS  31 -10.180   5.121   9.855
  264   2HZ   LYS  31           HZ2      LYS  31 -11.765   4.807   9.354
  265   3HZ   LYS  31           HZ1      LYS  31 -10.673   5.547   8.286
  266    H    GLN  32           HN       GLN  32  -5.663   9.686   7.967
  267    HA   GLN  32           HA       GLN  32  -5.624  12.473   8.470
  268   1HB   GLN  32           HB2      GLN  32  -3.313  10.541   8.205
  269   2HB   GLN  32           HB1      GLN  32  -3.180  12.194   8.787
  270   1HG   GLN  32           HG2      GLN  32  -4.610   9.897  10.088
  271   2HG   GLN  32           HG1      GLN  32  -3.208  10.783  10.683
  272   1HE2  GLN  32          1HE2      GLN  32  -6.634  10.835  10.197
  273   2HE2  GLN  32          2HE2      GLN  32  -6.974  12.182  11.225
  274    H    LEU  33           HN       LEU  33  -4.654  10.502   5.731
  275    HA   LEU  33           HA       LEU  33  -3.192  12.551   4.406
  276   1HB   LEU  33           HB2      LEU  33  -4.629  10.304   3.004
  277   2HB   LEU  33           HB1      LEU  33  -3.184  11.149   2.491
  278    HG   LEU  33           HG       LEU  33  -3.476   8.999   4.552
  279   1HD1  LEU  33          1HD1      LEU  33  -1.584   9.430   2.255
  280   2HD1  LEU  33          3HD1      LEU  33  -1.576   8.044   3.345
  281   3HD1  LEU  33          2HD1      LEU  33  -2.961   8.330   2.291
  282   1HD2  LEU  33          1HD2      LEU  33  -1.197  10.959   4.374
  283   2HD2  LEU  33          3HD2      LEU  33  -2.283  10.701   5.744
  284   3HD2  LEU  33          2HD2      LEU  33  -1.153   9.435   5.262
  285    H    GLU  34           HN       GLU  34  -6.603  11.539   4.211
  286    HA   GLU  34           HA       GLU  34  -7.151  13.401   2.124
  287   1HB   GLU  34           HB2      GLU  34  -9.567  13.028   2.763
  288   2HB   GLU  34           HB1      GLU  34  -8.663  11.604   2.271
  289   1HG   GLU  34           HG2      GLU  34  -8.400  10.951   4.593
  290   2HG   GLU  34           HG1      GLU  34  -9.236  12.413   5.111
  291    H    ALA  35           HN       ALA  35  -7.441  13.483   5.624
  292    HA   ALA  35           HA       ALA  35  -8.612  16.037   5.805
  293   1HB   ALA  35           HB2      ALA  35  -7.914  15.991   8.144
  294   2HB   ALA  35           HB1      ALA  35  -8.617  14.447   7.659
  295   3HB   ALA  35           HB3      ALA  35  -6.867  14.612   7.810
  296    H    GLU  36           HN       GLU  36  -5.265  14.960   5.700
  297    HA   GLU  36           HA       GLU  36  -4.186  17.577   6.242
  298   1HB   GLU  36           HB2      GLU  36  -3.217  14.849   6.073
  299   2HB   GLU  36           HB1      GLU  36  -2.135  15.972   5.263
  300   1HG   GLU  36           HG2      GLU  36  -3.118  16.327   8.079
  301   2HG   GLU  36           HG1      GLU  36  -1.604  15.528   7.650
  302    H    THR  37           HN       THR  37  -4.313  15.417   3.408
  303    HA   THR  37           HA       THR  37  -2.803  17.378   1.905
  304    HB   THR  37           HB       THR  37  -2.490  15.727   0.221
  305    HG1  THR  37           HG1      THR  37  -4.277  13.990   1.599
  306   1HG2  THR  37          2HG2      THR  37  -1.140  15.413   2.237
  307   2HG2  THR  37          1HG2      THR  37  -2.399  14.396   2.935
  308   3HG2  THR  37          3HG2      THR  37  -1.528  13.860   1.498
  309    H    GLY  38           HN       GLY  38  -6.061  16.292   2.235
  310   1HA   GLY  38           HA1      GLY  38  -6.951  18.029   0.065
  311   2HA   GLY  38           HA2      GLY  38  -7.981  17.207   1.235
  312    H    CYS  39           HN       CYS  39  -5.707  15.087   0.130
  313    HA   CYS  39           HA       CYS  39  -7.350  14.124  -2.077
  314   1HB   CYS  39           HB2      CYS  39  -4.942  14.190  -2.457
  315   2HB   CYS  39           HB1      CYS  39  -4.672  13.191  -1.030
  316    HG   CYS  39           HG       CYS  39  -6.707  11.867  -3.341
  317    H    LYS  40           HN       LYS  40  -8.903  12.706  -1.676
  318    HA   LYS  40           HA       LYS  40  -8.806  11.207   0.789
  319   1HB   LYS  40           HB2      LYS  40 -10.988  10.258   0.011
  320   2HB   LYS  40           HB1      LYS  40 -10.984  12.010   0.156
  321   1HG   LYS  40           HG2      LYS  40 -11.023  12.319  -2.152
  322   2HG   LYS  40           HG1      LYS  40 -10.480  10.673  -2.479
  323   1HD   LYS  40           HD2      LYS  40 -13.125  11.299  -1.179
  324   2HD   LYS  40           HD1      LYS  40 -12.926  11.151  -2.924
  325   1HE   LYS  40           HE2      LYS  40 -12.246   9.000  -0.915
  326   2HE   LYS  40           HE1      LYS  40 -13.733   9.057  -1.862
  327   1HZ   LYS  40           HZ3      LYS  40 -10.996   8.886  -3.015
  328   2HZ   LYS  40           HZ2      LYS  40 -12.058   7.584  -2.825
  329   3HZ   LYS  40           HZ1      LYS  40 -12.457   8.848  -3.877
  330    H    ILE  41           HN       ILE  41  -7.078   9.869   0.596
  331    HA   ILE  41           HA       ILE  41  -6.702   8.293  -1.757
  332    HB   ILE  41           HB       ILE  41  -4.731   8.839  -0.589
  333   1HG1  ILE  41          2HG1      ILE  41  -5.369   5.940  -0.005
  334   2HG1  ILE  41          1HG1      ILE  41  -4.722   6.576  -1.513
  335   1HG2  ILE  41          1HG2      ILE  41  -5.719   9.314   1.598
  336   2HG2  ILE  41          3HG2      ILE  41  -5.936   7.587   1.886
  337   3HG2  ILE  41          2HG2      ILE  41  -4.312   8.263   1.759
  338   1HD1  ILE  41          2HD1      ILE  41  -3.338   6.643   1.156
  339   2HD1  ILE  41          1HD1      ILE  41  -2.991   5.528  -0.167
  340   3HD1  ILE  41          3HD1      ILE  41  -2.689   7.256  -0.366
  341    H    MET  42           HN       MET  42  -7.827   6.635  -2.252
  342    HA   MET  42           HA       MET  42  -9.440   5.343  -0.186
  343   1HB   MET  42           HB2      MET  42 -10.954   4.735  -2.038
  344   2HB   MET  42           HB1      MET  42 -10.751   6.474  -1.906
  345   1HG   MET  42           HG2      MET  42  -9.081   6.351  -3.763
  346   2HG   MET  42           HG1      MET  42  -9.482   4.665  -3.953
  347   1HE   MET  42           HE1      MET  42 -12.700   5.107  -3.087
  348   2HE   MET  42           HE3      MET  42 -13.429   5.106  -4.693
  349   3HE   MET  42           HE2      MET  42 -12.192   3.918  -4.286
  350    H    VAL  43           HN       VAL  43  -9.110   3.269   0.195
  351    HA   VAL  43           HA       VAL  43  -7.105   1.885  -1.329
  352    HB   VAL  43           HB       VAL  43  -8.788   0.557   0.773
  353   1HG1  VAL  43          2HG1      VAL  43  -5.914   0.327  -0.087
  354   2HG1  VAL  43          1HG1      VAL  43  -6.675  -0.636   1.182
  355   3HG1  VAL  43          3HG1      VAL  43  -7.221  -0.786  -0.488
  356   1HG2  VAL  43          3HG2      VAL  43  -6.497   2.459   1.285
  357   2HG2  VAL  43          2HG2      VAL  43  -8.165   2.637   1.830
  358   3HG2  VAL  43          1HG2      VAL  43  -7.160   1.344   2.481
  359    H    ARG  44           HN       ARG  44  -7.544   0.678  -3.023
  360    HA   ARG  44           HA       ARG  44 -10.360   0.004  -3.512
  361   1HB   ARG  44           HB2      ARG  44  -8.156   0.634  -5.475
  362   2HB   ARG  44           HB1      ARG  44  -9.686  -0.083  -5.948
  363   1HG   ARG  44           HG2      ARG  44 -10.692   2.010  -4.728
  364   2HG   ARG  44           HG1      ARG  44  -9.088   2.682  -5.025
  365   1HD   ARG  44           HD2      ARG  44  -9.314   2.415  -7.363
  366   2HD   ARG  44           HD1      ARG  44 -10.736   1.386  -7.182
  367    HE   ARG  44           HE       ARG  44 -11.121   4.006  -6.107
  368   1HH1  ARG  44          1HH1      ARG  44 -11.284   2.021  -8.993
  369   2HH1  ARG  44          2HH1      ARG  44 -12.307   3.135  -9.847
  370   1HH2  ARG  44          1HH2      ARG  44 -12.475   5.475  -7.241
  371   2HH2  ARG  44          2HH2      ARG  44 -12.964   5.105  -8.867
  372    H    GLY  45           HN       GLY  45 -10.310  -1.859  -5.339
  373   1HA   GLY  45           HA1      GLY  45  -8.429  -3.912  -4.514
  374   2HA   GLY  45           HA2      GLY  45  -9.629  -4.045  -5.796
  375    H    LYS  46           HN       LYS  46  -9.308  -6.069  -4.036
  376    HA   LYS  46           HA       LYS  46 -11.998  -6.140  -2.986
  377   1HB   LYS  46           HB2      LYS  46 -11.642  -8.557  -2.801
  378   2HB   LYS  46           HB1      LYS  46 -11.251  -7.973  -4.411
  379   1HG   LYS  46           HG2      LYS  46  -8.818  -7.849  -3.239
  380   2HG   LYS  46           HG1      LYS  46  -9.538  -9.208  -2.370
  381   1HD   LYS  46           HD2      LYS  46  -8.430 -10.123  -4.263
  382   2HD   LYS  46           HD1      LYS  46 -10.158 -10.169  -4.620
  383   1HE   LYS  46           HE2      LYS  46  -9.798  -7.929  -5.792
  384   2HE   LYS  46           HE1      LYS  46  -8.074  -8.288  -5.681
  385   1HZ   LYS  46           HZ3      LYS  46 -10.050 -10.091  -6.967
  386   2HZ   LYS  46           HZ2      LYS  46  -9.133  -8.942  -7.813
  387   3HZ   LYS  46           HZ1      LYS  46  -8.360 -10.217  -7.014
  388    H    GLY  47           HN       GLY  47 -12.342  -5.497  -0.938
  389   1HA   GLY  47           HA1      GLY  47 -10.430  -6.549   1.053
  390   2HA   GLY  47           HA2      GLY  47 -12.167  -6.525   1.316
  391    H    SER  48           HN       SER  48 -11.762  -3.717  -0.155
  392    HA   SER  48           HA       SER  48 -10.215  -2.183   1.628
  393   1HB   SER  48           HB2      SER  48 -11.587  -0.283   0.467
  394   2HB   SER  48           HB1      SER  48 -10.429  -1.237  -0.460
  395    HG   SER  48           HG       SER  48 -12.022  -2.202  -1.511
  396    H    MET  49           HN       MET  49 -13.766  -2.046   1.157
  397    HA   MET  49           HA       MET  49 -14.033  -1.381   4.009
  398   1HB   MET  49           HB2      MET  49 -15.435  -0.141   1.649
  399   2HB   MET  49           HB1      MET  49 -16.046   0.001   3.289
  400   1HG   MET  49           HG2      MET  49 -13.243   0.815   2.677
  401   2HG   MET  49           HG1      MET  49 -14.580   1.882   2.257
  402   1HE   MET  49           HE2      MET  49 -12.392   0.351   5.074
  403   2HE   MET  49           HE1      MET  49 -13.315   0.694   6.537
  404   3HE   MET  49           HE3      MET  49 -13.898  -0.511   5.388
  405    H    ARG  50           HN       ARG  50 -14.241  -3.973   2.781
  406    HA   ARG  50           HA       ARG  50 -17.017  -4.499   2.264
  407   1HB   ARG  50           HB2      ARG  50 -16.367  -6.713   1.687
  408   2HB   ARG  50           HB1      ARG  50 -15.181  -5.612   1.008
  409   1HG   ARG  50           HG2      ARG  50 -13.507  -6.369   2.348
  410   2HG   ARG  50           HG1      ARG  50 -14.606  -6.814   3.659
  411   1HD   ARG  50           HD2      ARG  50 -14.371  -8.245   1.016
  412   2HD   ARG  50           HD1      ARG  50 -13.649  -8.789   2.530
  413    HE   ARG  50           HE       ARG  50 -16.338  -8.448   3.052
  414   1HH1  ARG  50          1HH1      ARG  50 -14.411 -10.444   0.903
  415   2HH1  ARG  50          2HH1      ARG  50 -15.594 -11.710   0.830
  416   1HH2  ARG  50          1HH2      ARG  50 -17.886 -10.099   2.945
  417   2HH2  ARG  50          2HH2      ARG  50 -17.553 -11.525   1.996
  418    H    ASP  51           HN       ASP  51 -16.234  -3.621   4.957
  419    HA   ASP  51           HA       ASP  51 -16.315  -5.587   6.900
  420   1HB   ASP  51           HB2      ASP  51 -16.013  -3.182   7.370
  421   2HB   ASP  51           HB1      ASP  51 -17.704  -2.898   6.965
  422    H    LYS  52           HN       LYS  52 -18.053  -6.528   8.101
  423    HA   LYS  52           HA       LYS  52 -19.792  -7.876   6.443
  424   1HB   LYS  52           HB2      LYS  52 -20.044  -7.437   9.414
  425   2HB   LYS  52           HB1      LYS  52 -20.935  -8.643   8.497
  426   1HG   LYS  52           HG2      LYS  52 -18.790  -9.683   7.856
  427   2HG   LYS  52           HG1      LYS  52 -17.956  -8.519   8.890
  428   1HD   LYS  52           HD2      LYS  52 -19.263  -9.342  10.815
  429   2HD   LYS  52           HD1      LYS  52 -20.009 -10.548   9.765
  430   1HE   LYS  52           HE2      LYS  52 -18.186 -11.524  11.040
  431   2HE   LYS  52           HE1      LYS  52 -17.808 -11.516   9.318
  432   1HZ   LYS  52           HZ1      LYS  52 -16.825  -9.538  11.308
  433   2HZ   LYS  52           HZ3      LYS  52 -15.920 -10.819  10.665
  434   3HZ   LYS  52           HZ2      LYS  52 -16.439  -9.556   9.659
  435    H    LYS  53           HN       LYS  53 -20.510  -5.046   8.464
  436    HA   LYS  53           HA       LYS  53 -23.267  -5.090   7.849
  437   1HB   LYS  53           HB2      LYS  53 -23.373  -2.812   8.706
  438   2HB   LYS  53           HB1      LYS  53 -22.429  -3.828   9.777
  439   1HG   LYS  53           HG2      LYS  53 -20.370  -2.873   8.859
  440   2HG   LYS  53           HG1      LYS  53 -21.331  -1.840   7.801
  441   1HD   LYS  53           HD2      LYS  53 -21.403  -1.831  10.817
  442   2HD   LYS  53           HD1      LYS  53 -20.594  -0.634   9.805
  443   1HE   LYS  53           HE2      LYS  53 -22.726   0.022   8.843
  444   2HE   LYS  53           HE1      LYS  53 -23.554  -1.223   9.774
  445   1HZ   LYS  53           HZ2      LYS  53 -22.096   1.102  10.917
  446   2HZ   LYS  53           HZ1      LYS  53 -23.782   0.948  10.798
  447   3HZ   LYS  53           HZ3      LYS  53 -22.906  -0.096  11.807
  448    H    LYS  54           HN       LYS  54 -20.507  -3.382   6.412
  449    HA   LYS  54           HA       LYS  54 -22.000  -1.860   4.602
  450   1HB   LYS  54           HB2      LYS  54 -19.140  -2.622   4.822
  451   2HB   LYS  54           HB1      LYS  54 -19.702  -1.999   3.272
  452   1HG   LYS  54           HG2      LYS  54 -20.365   0.041   4.208
  453   2HG   LYS  54           HG1      LYS  54 -20.265  -0.585   5.847
  454   1HD   LYS  54           HD2      LYS  54 -17.807  -0.823   5.535
  455   2HD   LYS  54           HD1      LYS  54 -17.979  -0.033   3.965
  456   1HE   LYS  54           HE2      LYS  54 -18.729   1.154   6.635
  457   2HE   LYS  54           HE1      LYS  54 -17.291   1.553   5.699
  458   1HZ   LYS  54           HZ3      LYS  54 -20.018   1.903   4.604
  459   2HZ   LYS  54           HZ2      LYS  54 -19.254   3.112   5.503
  460   3HZ   LYS  54           HZ1      LYS  54 -18.569   2.580   4.045
  461    H    GLU  55           HN       GLU  55 -20.472  -5.052   4.141
  462    HA   GLU  55           HA       GLU  55 -21.341  -5.349   1.485
  463   1HB   GLU  55           HB2      GLU  55 -21.249  -7.891   2.118
  464   2HB   GLU  55           HB1      GLU  55 -19.767  -6.945   2.072
  465   1HG   GLU  55           HG2      GLU  55 -19.686  -6.770   4.402
  466   2HG   GLU  55           HG1      GLU  55 -21.327  -7.385   4.596
  467    H    GLU  56           HN       GLU  56 -23.151  -5.572   4.429
  468    HA   GLU  56           HA       GLU  56 -25.335  -6.946   3.155
  469   1HB   GLU  56           HB2      GLU  56 -25.134  -5.542   5.808
  470   2HB   GLU  56           HB1      GLU  56 -26.609  -6.310   5.232
  471   1HG   GLU  56           HG2      GLU  56 -25.241  -8.419   4.965
  472   2HG   GLU  56           HG1      GLU  56 -23.981  -7.598   5.885
  473    H    GLN  57           HN       GLN  57 -24.986  -3.528   4.316
  474    HA   GLN  57           HA       GLN  57 -27.365  -2.985   2.655
  475   1HB   GLN  57           HB2      GLN  57 -27.902  -1.107   4.014
  476   2HB   GLN  57           HB1      GLN  57 -27.572  -2.457   5.086
  477   1HG   GLN  57           HG2      GLN  57 -25.524  -0.364   4.433
  478   2HG   GLN  57           HG1      GLN  57 -26.658  -0.219   5.766
  479   1HE2  GLN  57          1HE2      GLN  57 -23.709  -0.469   5.673
  480   2HE2  GLN  57          2HE2      GLN  57 -23.334  -1.856   6.644
  481    H    ASN  58           HN       ASN  58 -24.073  -1.951   3.229
  482    HA   ASN  58           HA       ASN  58 -24.281   0.222   1.312
  483   1HB   ASN  58           HB2      ASN  58 -21.992  -0.840   2.962
  484   2HB   ASN  58           HB1      ASN  58 -21.796   0.443   1.775
  485   1HD2  ASN  58          1HD2      ASN  58 -24.345   1.689   2.305
  486   2HD2  ASN  58          2HD2      ASN  58 -24.193   2.476   3.834
  487    H    ARG  59           HN       ARG  59 -24.307  -2.902   0.990
  488    HA   ARG  59           HA       ARG  59 -22.386  -3.764  -0.722
  489   1HB   ARG  59           HB2      ARG  59 -24.055  -5.304  -1.656
  490   2HB   ARG  59           HB1      ARG  59 -24.145  -5.217   0.097
  491   1HG   ARG  59           HG2      ARG  59 -26.086  -3.759  -0.055
  492   2HG   ARG  59           HG1      ARG  59 -25.978  -3.790  -1.818
  493   1HD   ARG  59           HD2      ARG  59 -26.362  -6.195  -1.812
  494   2HD   ARG  59           HD1      ARG  59 -26.426  -6.191  -0.051
  495    HE   ARG  59           HE       ARG  59 -28.394  -4.531  -0.522
  496   1HH1  ARG  59          1HH1      ARG  59 -27.549  -7.377  -2.356
  497   2HH1  ARG  59          2HH1      ARG  59 -29.189  -7.768  -2.773
  498   1HH2  ARG  59          1HH2      ARG  59 -30.579  -5.024  -1.070
  499   2HH2  ARG  59          2HH2      ARG  59 -30.915  -6.416  -2.062
  500    H    GLY  60           HN       GLY  60 -21.855  -3.513  -2.800
  501   1HA   GLY  60           HA1      GLY  60 -23.672  -2.244  -4.692
  502   2HA   GLY  60           HA2      GLY  60 -22.097  -2.937  -5.058
  503    H    LYS  61           HN       LYS  61 -21.871  -0.873  -2.430
  504    HA   LYS  61           HA       LYS  61 -21.640   1.607  -3.867
  505   1HB   LYS  61           HB2      LYS  61 -21.185   0.765  -1.027
  506   2HB   LYS  61           HB1      LYS  61 -20.605   2.331  -1.579
  507   1HG   LYS  61           HG2      LYS  61 -23.461   1.425  -1.872
  508   2HG   LYS  61           HG1      LYS  61 -22.862   2.348  -0.492
  509   1HD   LYS  61           HD2      LYS  61 -22.220   4.172  -1.933
  510   2HD   LYS  61           HD1      LYS  61 -22.648   3.237  -3.365
  511   1HE   LYS  61           HE2      LYS  61 -24.661   3.875  -1.232
  512   2HE   LYS  61           HE1      LYS  61 -24.310   5.002  -2.540
  513   1HZ   LYS  61           HZ1      LYS  61 -25.174   2.191  -2.964
  514   2HZ   LYS  61           HZ3      LYS  61 -26.225   3.521  -2.962
  515   3HZ   LYS  61           HZ2      LYS  61 -25.012   3.403  -4.139
  516    HA   PRO  62           HA       PRO  62 -17.475   2.469  -5.184
  517   1HB   PRO  62           HB2      PRO  62 -17.045   3.371  -2.340
  518   2HB   PRO  62           HB1      PRO  62 -16.370   4.028  -3.823
  519   1HG   PRO  62           HG2      PRO  62 -18.574   5.076  -2.702
  520   2HG   PRO  62           HG1      PRO  62 -18.369   5.014  -4.461
  521   1HD   PRO  62           HD2      PRO  62 -20.256   3.551  -2.787
  522   2HD   PRO  62           HD1      PRO  62 -20.201   3.677  -4.557
  523    H    ASN  63           HN       ASN  63 -17.667   0.892  -2.045
  524    HA   ASN  63           HA       ASN  63 -14.996  -0.050  -1.975
  525   1HB   ASN  63           HB2      ASN  63 -16.959  -1.711  -0.573
  526   2HB   ASN  63           HB1      ASN  63 -15.579  -0.805   0.041
  527   1HD2  ASN  63          1HD2      ASN  63 -18.960  -0.600  -0.808
  528   2HD2  ASN  63          2HD2      ASN  63 -19.299   0.814   0.127
  529    H    TRP  64           HN       TRP  64 -18.002  -1.317  -3.177
  530    HA   TRP  64           HA       TRP  64 -16.776  -3.772  -4.111
  531   1HB   TRP  64           HB2      TRP  64 -19.604  -2.890  -4.587
  532   2HB   TRP  64           HB1      TRP  64 -18.962  -4.529  -4.542
  533    HD1  TRP  64           HD1      TRP  64 -20.223  -1.781  -2.230
  534    HE1  TRP  64           HE1      TRP  64 -20.291  -2.678   0.181
  535    HE3  TRP  64           HE3      TRP  64 -17.835  -6.218  -2.977
  536    HZ2  TRP  64           HZ2      TRP  64 -19.411  -4.977   1.571
  537    HZ3  TRP  64           HZ3      TRP  64 -17.476  -7.708  -1.060
  538    HH2  TRP  64           HH2      TRP  64 -18.251  -7.100   1.168
  539    H    GLU  65           HN       GLU  65 -17.855  -0.672  -5.177
  540    HA   GLU  65           HA       GLU  65 -17.929  -0.879  -7.905
  541   1HB   GLU  65           HB2      GLU  65 -18.315   1.283  -7.329
  542   2HB   GLU  65           HB1      GLU  65 -17.202   1.215  -5.969
  543   1HG   GLU  65           HG2      GLU  65 -15.325   1.350  -7.641
  544   2HG   GLU  65           HG1      GLU  65 -16.541   1.705  -8.864
  545    H    HIS  66           HN       HIS  66 -15.127  -0.448  -5.823
  546    HA   HIS  66           HA       HIS  66 -13.360  -1.126  -8.043
  547   1HB   HIS  66           HB2      HIS  66 -11.532  -0.343  -6.538
  548   2HB   HIS  66           HB1      HIS  66 -12.715   0.888  -6.959
  549    HD1  HIS  66           HD1      HIS  66 -13.225   2.329  -5.035
  550    HD2  HIS  66           HD2      HIS  66 -12.413  -1.567  -3.875
  551    HE1  HIS  66           HE1      HIS  66 -13.278   2.355  -2.518
  552    HE2  HIS  66           HE2      HIS  66 -12.642   0.013  -1.832
  553    H    LEU  67           HN       LEU  67 -14.956  -2.836  -5.772
  554    HA   LEU  67           HA       LEU  67 -12.930  -4.404  -4.572
  555   1HB   LEU  67           HB2      LEU  67 -15.246  -4.312  -3.726
  556   2HB   LEU  67           HB1      LEU  67 -15.785  -5.173  -5.155
  557    HG   LEU  67           HG       LEU  67 -13.856  -6.853  -4.165
  558   1HD1  LEU  67          1HD1      LEU  67 -13.627  -5.526  -2.136
  559   2HD1  LEU  67          3HD1      LEU  67 -15.356  -5.690  -1.825
  560   3HD1  LEU  67          2HD1      LEU  67 -14.312  -7.112  -1.788
  561   1HD2  LEU  67          2HD2      LEU  67 -16.812  -6.859  -3.590
  562   2HD2  LEU  67          1HD2      LEU  67 -16.029  -7.503  -5.032
  563   3HD2  LEU  67          3HD2      LEU  67 -15.737  -8.249  -3.460
  564    H    ASN  68           HN       ASN  68 -14.252  -4.326  -7.639
  565    HA   ASN  68           HA       ASN  68 -13.617  -7.076  -8.336
  566   1HB   ASN  68           HB2      ASN  68 -14.470  -6.234 -10.627
  567   2HB   ASN  68           HB1      ASN  68 -15.633  -6.352  -9.302
  568   1HD2  ASN  68          1HD2      ASN  68 -16.313  -4.409  -8.224
  569   2HD2  ASN  68          2HD2      ASN  68 -16.110  -2.877  -9.006
  570    H    GLU  69           HN       GLU  69 -11.942  -4.325  -7.976
  571    HA   GLU  69           HA       GLU  69  -9.981  -4.887 -10.076
  572   1HB   GLU  69           HB2      GLU  69 -10.049  -2.724  -7.950
  573   2HB   GLU  69           HB1      GLU  69  -8.847  -2.862  -9.224
  574   1HG   GLU  69           HG2      GLU  69 -10.562  -2.465 -10.907
  575   2HG   GLU  69           HG1      GLU  69 -11.790  -2.366  -9.644
  576    H    ASP  70           HN       ASP  70  -7.628  -4.941  -9.251
  577    HA   ASP  70           HA       ASP  70  -7.438  -6.745  -7.005
  578   1HB   ASP  70           HB2      ASP  70  -5.875  -6.627  -9.149
  579   2HB   ASP  70           HB1      ASP  70  -4.978  -5.498  -8.148
  580    H    LEU  71           HN       LEU  71  -6.384  -6.331  -5.072
  581    HA   LEU  71           HA       LEU  71  -7.156  -3.994  -3.795
  582   1HB   LEU  71           HB2      LEU  71  -6.202  -6.386  -3.011
  583   2HB   LEU  71           HB1      LEU  71  -4.756  -5.424  -2.784
  584    HG   LEU  71           HG       LEU  71  -7.428  -5.014  -1.450
  585   1HD1  LEU  71          2HD1      LEU  71  -6.096  -6.845  -0.547
  586   2HD1  LEU  71          1HD1      LEU  71  -4.717  -5.762  -0.362
  587   3HD1  LEU  71          3HD1      LEU  71  -6.178  -5.500   0.591
  588   1HD2  LEU  71          1HD2      LEU  71  -6.421  -2.866  -1.988
  589   2HD2  LEU  71          3HD2      LEU  71  -6.370  -3.173  -0.251
  590   3HD2  LEU  71          2HD2      LEU  71  -4.913  -3.372  -1.227
  591    H    HIS  72           HN       HIS  72  -6.393  -1.969  -4.113
  592    HA   HIS  72           HA       HIS  72  -3.519  -1.575  -4.148
  593   1HB   HIS  72           HB2      HIS  72  -3.508  -0.120  -6.096
  594   2HB   HIS  72           HB1      HIS  72  -4.050  -1.732  -6.531
  595    HD1  HIS  72           HD1      HIS  72  -6.376  -1.984  -7.485
  596    HD2  HIS  72           HD2      HIS  72  -5.550   1.909  -6.245
  597    HE1  HIS  72           HE1      HIS  72  -8.156  -0.542  -8.511
  598    HE2  HIS  72           HE2      HIS  72  -7.466   1.810  -7.998
  599    H    VAL  73           HN       VAL  73  -2.981   0.810  -4.036
  600    HA   VAL  73           HA       VAL  73  -5.048   2.118  -2.375
  601    HB   VAL  73           HB       VAL  73  -3.197   3.530  -1.468
  602   1HG1  VAL  73          3HG1      VAL  73  -3.993   1.597  -0.224
  603   2HG1  VAL  73          2HG1      VAL  73  -2.861   0.556  -1.087
  604   3HG1  VAL  73          1HG1      VAL  73  -2.256   1.806   0.001
  605   1HG2  VAL  73          2HG2      VAL  73  -1.418   1.596  -2.948
  606   2HG2  VAL  73          1HG2      VAL  73  -1.594   3.320  -3.278
  607   3HG2  VAL  73          3HG2      VAL  73  -0.875   2.782  -1.760
  608    H    LEU  74           HN       LEU  74  -5.931   3.920  -3.136
  609    HA   LEU  74           HA       LEU  74  -4.686   5.096  -5.516
  610   1HB   LEU  74           HB2      LEU  74  -6.533   3.629  -6.159
  611   2HB   LEU  74           HB1      LEU  74  -7.617   4.484  -5.093
  612    HG   LEU  74           HG       LEU  74  -6.271   5.852  -7.417
  613   1HD1  LEU  74          3HD1      LEU  74  -8.898   4.383  -7.370
  614   2HD1  LEU  74          2HD1      LEU  74  -8.328   5.418  -8.680
  615   3HD1  LEU  74          1HD1      LEU  74  -7.463   3.931  -8.288
  616   1HD2  LEU  74          2HD2      LEU  74  -8.808   6.427  -5.884
  617   2HD2  LEU  74          1HD2      LEU  74  -7.293   7.316  -5.741
  618   3HD2  LEU  74          3HD2      LEU  74  -8.200   7.354  -7.254
  619    H    ILE  75           HN       ILE  75  -4.109   7.011  -5.148
  620    HA   ILE  75           HA       ILE  75  -5.390   8.638  -3.144
  621    HB   ILE  75           HB       ILE  75  -3.698  10.344  -4.364
  622   1HG1  ILE  75          2HG1      ILE  75  -2.475   7.617  -4.811
  623   2HG1  ILE  75          1HG1      ILE  75  -3.113   8.652  -6.082
  624   1HG2  ILE  75          3HG2      ILE  75  -2.903   8.220  -2.388
  625   2HG2  ILE  75          2HG2      ILE  75  -2.027   9.721  -2.687
  626   3HG2  ILE  75          1HG2      ILE  75  -3.656   9.769  -2.011
  627   1HD1  ILE  75          1HD1      ILE  75  -0.871   9.465  -4.258
  628   2HD1  ILE  75          3HD1      ILE  75  -0.635   8.683  -5.820
  629   3HD1  ILE  75          2HD1      ILE  75  -1.410  10.264  -5.738
  630    H    THR  76           HN       THR  76  -7.251   9.494  -3.596
  631    HA   THR  76           HA       THR  76  -7.887  10.277  -6.351
  632    HB   THR  76           HB       THR  76 -10.009  10.549  -4.372
  633    HG1  THR  76           HG1      THR  76  -8.493   8.218  -4.476
  634   1HG2  THR  76          1HG2      THR  76  -9.711   8.975  -6.918
  635   2HG2  THR  76          3HG2      THR  76 -11.222   9.227  -6.048
  636   3HG2  THR  76          2HG2      THR  76 -10.377  10.601  -6.765
  637    H    VAL  77           HN       VAL  77  -7.417  12.442  -6.696
  638    HA   VAL  77           HA       VAL  77  -8.133  14.218  -4.465
  639    HB   VAL  77           HB       VAL  77  -5.600  14.053  -5.474
  640   1HG1  VAL  77          3HG1      VAL  77  -6.217  14.989  -7.637
  641   2HG1  VAL  77          2HG1      VAL  77  -6.863  16.422  -6.837
  642   3HG1  VAL  77          1HG1      VAL  77  -5.139  16.068  -6.752
  643   1HG2  VAL  77          3HG2      VAL  77  -6.387  15.123  -3.396
  644   2HG2  VAL  77          2HG2      VAL  77  -5.167  16.066  -4.248
  645   3HG2  VAL  77          1HG2      VAL  77  -6.867  16.535  -4.335
  646    H    GLU  78           HN       GLU  78  -9.734  15.491  -4.788
  647    HA   GLU  78           HA       GLU  78 -10.624  16.032  -7.511
  648   1HB   GLU  78           HB2      GLU  78 -11.938  16.716  -4.860
  649   2HB   GLU  78           HB1      GLU  78 -12.676  16.856  -6.453
  650   1HG   GLU  78           HG2      GLU  78 -12.628  14.461  -6.734
  651   2HG   GLU  78           HG1      GLU  78 -11.759  14.271  -5.213
  652    H    ASP  79           HN       ASP  79  -9.099  17.533  -8.171
  653    HA   ASP  79           HA       ASP  79  -9.191  20.219  -7.643
  654   1HB   ASP  79           HB2      ASP  79  -8.451  19.328  -5.287
  655   2HB   ASP  79           HB1      ASP  79  -6.880  19.120  -6.049
  656    H    ALA  80           HN       ALA  80  -7.531  21.339  -8.780
  657    HA   ALA  80           HA       ALA  80  -5.981  19.606 -10.571
  658   1HB   ALA  80           HB3      ALA  80  -7.540  21.230 -11.587
  659   2HB   ALA  80           HB2      ALA  80  -6.612  22.542 -10.861
  660   3HB   ALA  80           HB1      ALA  80  -5.864  21.497 -12.068
  661    H    GLN  81           HN       GLN  81  -5.541  21.375  -7.784
  662    HA   GLN  81           HA       GLN  81  -3.198  22.842  -8.323
  663   1HB   GLN  81           HB2      GLN  81  -4.307  21.760  -5.738
  664   2HB   GLN  81           HB1      GLN  81  -2.886  22.790  -5.816
  665   1HG   GLN  81           HG2      GLN  81  -4.223  24.562  -6.827
  666   2HG   GLN  81           HG1      GLN  81  -5.648  23.525  -6.761
  667   1HE2  GLN  81          1HE2      GLN  81  -6.606  23.086  -4.761
  668   2HE2  GLN  81          2HE2      GLN  81  -6.270  24.054  -3.362
  669    H    ASN  82           HN       ASN  82  -1.139  22.349  -8.465
  670    HA   ASN  82           HA       ASN  82  -0.102  19.733  -8.372
  671   1HB   ASN  82           HB2      ASN  82   1.248  22.433  -8.196
  672   2HB   ASN  82           HB1      ASN  82   2.146  20.921  -8.226
  673   1HD2  ASN  82          1HD2      ASN  82   2.311  19.778 -10.117
  674   2HD2  ASN  82          2HD2      ASN  82   1.811  20.414 -11.648
  675    H    ARG  83           HN       ARG  83  -0.413  22.261  -5.971
  676    HA   ARG  83           HA       ARG  83   1.092  21.205  -3.883
  677   1HB   ARG  83           HB2      ARG  83  -0.049  23.413  -3.829
  678   2HB   ARG  83           HB1      ARG  83  -1.592  22.585  -3.667
  679   1HG   ARG  83           HG2      ARG  83  -0.632  21.529  -1.566
  680   2HG   ARG  83           HG1      ARG  83   0.665  22.718  -1.695
  681   1HD   ARG  83           HD2      ARG  83  -0.974  23.607  -0.214
  682   2HD   ARG  83           HD1      ARG  83  -1.093  24.500  -1.729
  683    HE   ARG  83           HE       ARG  83  -2.896  22.301  -1.692
  684   1HH1  ARG  83          1HH1      ARG  83  -2.454  25.527  -0.376
  685   2HH1  ARG  83          2HH1      ARG  83  -4.160  25.811  -0.196
  686   1HH2  ARG  83          1HH2      ARG  83  -5.131  22.692  -1.460
  687   2HH2  ARG  83          2HH2      ARG  83  -5.673  24.210  -0.812
  688    H    ALA  84           HN       ALA  84  -2.167  20.459  -4.957
  689    HA   ALA  84           HA       ALA  84  -2.939  18.824  -2.823
  690   1HB   ALA  84           HB1      ALA  84  -3.880  18.577  -5.677
  691   2HB   ALA  84           HB3      ALA  84  -4.746  18.107  -4.212
  692   3HB   ALA  84           HB2      ALA  84  -4.456  19.810  -4.555
  693    H    GLU  85           HN       GLU  85  -1.684  17.934  -6.043
  694    HA   GLU  85           HA       GLU  85  -1.561  15.155  -5.441
  695   1HB   GLU  85           HB2      GLU  85  -0.315  14.911  -7.492
  696   2HB   GLU  85           HB1      GLU  85  -1.657  16.014  -7.747
  697   1HG   GLU  85           HG2      GLU  85  -0.269  17.890  -7.825
  698   2HG   GLU  85           HG1      GLU  85   1.087  17.024  -7.111
  699    H    LEU  86           HN       LEU  86   0.749  17.791  -5.065
  700    HA   LEU  86           HA       LEU  86   3.027  16.195  -4.594
  701   1HB   LEU  86           HB2      LEU  86   2.740  18.788  -4.952
  702   2HB   LEU  86           HB1      LEU  86   2.607  18.819  -3.209
  703    HG   LEU  86           HG       LEU  86   4.887  19.344  -4.068
  704   1HD1  LEU  86          3HD1      LEU  86   4.586  18.530  -1.792
  705   2HD1  LEU  86          2HD1      LEU  86   4.712  16.867  -2.362
  706   3HD1  LEU  86          1HD1      LEU  86   6.100  17.948  -2.483
  707   1HD2  LEU  86          1HD2      LEU  86   4.827  17.750  -5.968
  708   2HD2  LEU  86          3HD2      LEU  86   6.281  17.619  -4.982
  709   3HD2  LEU  86          2HD2      LEU  86   4.997  16.425  -4.815
  710    H    LYS  87           HN       LYS  87   0.518  17.480  -2.506
  711    HA   LYS  87           HA       LYS  87   1.695  16.623  -0.072
  712   1HB   LYS  87           HB2      LYS  87  -0.340  18.306  -0.775
  713   2HB   LYS  87           HB1      LYS  87  -1.239  16.928  -0.158
  714   1HG   LYS  87           HG2      LYS  87  -0.255  17.113   1.974
  715   2HG   LYS  87           HG1      LYS  87   0.985  18.227   1.390
  716   1HD   LYS  87           HD2      LYS  87  -0.844  19.850   0.856
  717   2HD   LYS  87           HD1      LYS  87  -1.973  18.757   1.655
  718   1HE   LYS  87           HE2      LYS  87   0.452  19.976   2.968
  719   2HE   LYS  87           HE1      LYS  87  -1.182  20.629   3.088
  720   1HZ   LYS  87           HZ1      LYS  87  -0.347  17.922   3.989
  721   2HZ   LYS  87           HZ3      LYS  87  -0.600  19.259   4.997
  722   3HZ   LYS  87           HZ2      LYS  87  -1.898  18.595   4.140
  723    H    LEU  88           HN       LEU  88  -0.743  15.222  -2.246
  724    HA   LEU  88           HA       LEU  88  -1.258  13.004  -0.545
  725   1HB   LEU  88           HB2      LEU  88  -2.343  11.986  -2.554
  726   2HB   LEU  88           HB1      LEU  88  -2.978  13.539  -2.050
  727    HG   LEU  88           HG       LEU  88  -1.370  14.463  -3.916
  728   1HD1  LEU  88          1HD1      LEU  88  -1.830  11.630  -4.793
  729   2HD1  LEU  88          3HD1      LEU  88  -1.192  12.919  -5.809
  730   3HD1  LEU  88          2HD1      LEU  88  -0.271  12.362  -4.411
  731   1HD2  LEU  88          2HD2      LEU  88  -3.944  13.019  -4.522
  732   2HD2  LEU  88          1HD2      LEU  88  -3.782  14.681  -3.951
  733   3HD2  LEU  88          3HD2      LEU  88  -3.184  14.236  -5.549
  734    H    LYS  89           HN       LYS  89   1.038  13.522  -3.185
  735    HA   LYS  89           HA       LYS  89   1.662  10.773  -3.460
  736   1HB   LYS  89           HB2      LYS  89   3.613  11.467  -4.770
  737   2HB   LYS  89           HB1      LYS  89   2.148  12.281  -5.285
  738   1HG   LYS  89           HG2      LYS  89   3.644  13.996  -5.348
  739   2HG   LYS  89           HG1      LYS  89   3.008  14.186  -3.718
  740   1HD   LYS  89           HD2      LYS  89   5.428  14.412  -3.726
  741   2HD   LYS  89           HD1      LYS  89   4.946  12.973  -2.830
  742   1HE   LYS  89           HE2      LYS  89   5.536  11.556  -4.674
  743   2HE   LYS  89           HE1      LYS  89   5.834  12.952  -5.709
  744   1HZ   LYS  89           HZ3      LYS  89   7.368  12.367  -3.235
  745   2HZ   LYS  89           HZ2      LYS  89   7.873  11.914  -4.786
  746   3HZ   LYS  89           HZ1      LYS  89   7.713  13.557  -4.394
  747    H    ARG  90           HN       ARG  90   3.031  13.302  -1.426
  748    HA   ARG  90           HA       ARG  90   5.188  11.685  -0.509
  749   1HB   ARG  90           HB2      ARG  90   5.414  13.328   1.329
  750   2HB   ARG  90           HB1      ARG  90   5.375  14.075  -0.259
  751   1HG   ARG  90           HG2      ARG  90   3.540  15.247   0.215
  752   2HG   ARG  90           HG1      ARG  90   2.752  13.872   0.992
  753   1HD   ARG  90           HD2      ARG  90   4.906  15.559   2.258
  754   2HD   ARG  90           HD1      ARG  90   3.176  15.776   2.524
  755    HE   ARG  90           HE       ARG  90   3.690  13.138   3.115
  756   1HH1  ARG  90          1HH1      ARG  90   4.807  16.246   4.269
  757   2HH1  ARG  90          2HH1      ARG  90   5.092  15.679   5.889
  758   1HH2  ARG  90          1HH2      ARG  90   4.055  12.387   5.243
  759   2HH2  ARG  90          2HH2      ARG  90   4.667  13.498   6.435
  760    H    ALA  91           HN       ALA  91   1.921  12.317   0.631
  761    HA   ALA  91           HA       ALA  91   2.123  10.854   3.049
  762   1HB   ALA  91           HB3      ALA  91  -0.341  11.441   1.407
  763   2HB   ALA  91           HB2      ALA  91  -0.294  10.979   3.108
  764   3HB   ALA  91           HB1      ALA  91   0.371  12.532   2.599
  765    H    VAL  92           HN       VAL  92   1.088  10.030  -0.221
  766    HA   VAL  92           HA       VAL  92   0.267   7.389   0.465
  767    HB   VAL  92           HB       VAL  92  -0.504   8.800  -1.529
  768   1HG1  VAL  92          2HG1      VAL  92   2.010   7.632  -2.709
  769   2HG1  VAL  92          1HG1      VAL  92   0.706   8.381  -3.634
  770   3HG1  VAL  92          3HG1      VAL  92   1.639   9.345  -2.486
  771   1HG2  VAL  92          1HG2      VAL  92  -1.217   6.507  -1.112
  772   2HG2  VAL  92          3HG2      VAL  92  -1.002   6.802  -2.838
  773   3HG2  VAL  92          2HG2      VAL  92   0.219   5.902  -1.939
  774    H    GLU  93           HN       GLU  93   3.276   8.833  -0.616
  775    HA   GLU  93           HA       GLU  93   4.615   6.417  -1.157
  776   1HB   GLU  93           HB2      GLU  93   5.460   9.199  -0.552
  777   2HB   GLU  93           HB1      GLU  93   6.656   7.921  -0.419
  778   1HG   GLU  93           HG2      GLU  93   5.856   7.228  -2.764
  779   2HG   GLU  93           HG1      GLU  93   5.137   8.837  -2.823
  780    H    GLU  94           HN       GLU  94   3.986   8.149   1.824
  781    HA   GLU  94           HA       GLU  94   5.499   6.458   3.504
  782   1HB   GLU  94           HB2      GLU  94   2.935   7.956   4.101
  783   2HB   GLU  94           HB1      GLU  94   4.007   7.253   5.308
  784   1HG   GLU  94           HG2      GLU  94   5.800   8.731   4.610
  785   2HG   GLU  94           HG1      GLU  94   4.773   9.415   3.356
  786    H    VAL  95           HN       VAL  95   2.218   6.229   2.185
  787    HA   VAL  95           HA       VAL  95   1.574   3.710   3.272
  788    HB   VAL  95           HB       VAL  95   0.710   5.062   0.724
  789   1HG1  VAL  95          1HG1      VAL  95  -0.037   2.298   1.696
  790   2HG1  VAL  95          3HG1      VAL  95  -0.936   3.196   0.467
  791   3HG1  VAL  95          2HG1      VAL  95   0.741   2.730   0.174
  792   1HG2  VAL  95          3HG2      VAL  95  -0.739   4.312   3.262
  793   2HG2  VAL  95          2HG2      VAL  95  -0.210   5.929   2.798
  794   3HG2  VAL  95          1HG2      VAL  95  -1.464   5.111   1.866
  795    H    LYS  96           HN       LYS  96   3.365   4.620   0.338
  796    HA   LYS  96           HA       LYS  96   3.833   2.120  -0.734
  797   1HB   LYS  96           HB2      LYS  96   4.427   4.298  -1.729
  798   2HB   LYS  96           HB1      LYS  96   5.721   4.466  -0.558
  799   1HG   LYS  96           HG2      LYS  96   6.730   2.393  -1.508
  800   2HG   LYS  96           HG1      LYS  96   5.513   2.475  -2.790
  801   1HD   LYS  96           HD2      LYS  96   7.402   3.587  -3.663
  802   2HD   LYS  96           HD1      LYS  96   6.282   4.858  -3.148
  803   1HE   LYS  96           HE2      LYS  96   7.510   5.220  -1.131
  804   2HE   LYS  96           HE1      LYS  96   8.554   3.837  -1.455
  805   1HZ   LYS  96           HZ2      LYS  96   9.323   5.050  -3.482
  806   2HZ   LYS  96           HZ1      LYS  96   8.466   6.415  -2.945
  807   3HZ   LYS  96           HZ3      LYS  96   9.748   5.796  -2.027
  808    H    LYS  97           HN       LYS  97   5.262   3.634   2.079
  809    HA   LYS  97           HA       LYS  97   7.357   1.713   2.409
  810   1HB   LYS  97           HB2      LYS  97   7.341   4.078   3.328
  811   2HB   LYS  97           HB1      LYS  97   6.157   3.539   4.504
  812   1HG   LYS  97           HG2      LYS  97   8.803   2.157   4.286
  813   2HG   LYS  97           HG1      LYS  97   8.652   3.674   5.170
  814   1HD   LYS  97           HD2      LYS  97   6.891   2.646   6.569
  815   2HD   LYS  97           HD1      LYS  97   7.129   1.122   5.711
  816   1HE   LYS  97           HE2      LYS  97   9.171   2.580   7.387
  817   2HE   LYS  97           HE1      LYS  97   8.320   1.101   7.827
  818   1HZ   LYS  97           HZ2      LYS  97   9.382   0.022   5.896
  819   2HZ   LYS  97           HZ1      LYS  97  10.278   1.433   5.621
  820   3HZ   LYS  97           HZ3      LYS  97  10.503   0.554   7.053
  821    H    LEU  98           HN       LEU  98   4.016   2.041   3.405
  822    HA   LEU  98           HA       LEU  98   4.165  -0.189   5.239
  823   1HB   LEU  98           HB2      LEU  98   1.882   1.490   4.238
  824   2HB   LEU  98           HB1      LEU  98   1.647   0.131   5.322
  825    HG   LEU  98           HG       LEU  98   3.248   2.630   5.909
  826   1HD1  LEU  98          2HD1      LEU  98   0.842   3.008   5.887
  827   2HD1  LEU  98          1HD1      LEU  98   0.611   1.654   6.993
  828   3HD1  LEU  98          3HD1      LEU  98   1.480   3.092   7.529
  829   1HD2  LEU  98          3HD2      LEU  98   4.211   0.661   6.991
  830   2HD2  LEU  98          2HD2      LEU  98   3.458   1.736   8.168
  831   3HD2  LEU  98          1HD2      LEU  98   2.634   0.259   7.669
  832    H    LEU  99           HN       LEU  99   2.842   0.385   2.021
  833    HA   LEU  99           HA       LEU  99   1.392  -2.022   1.896
  834   1HB   LEU  99           HB2      LEU  99   1.117  -1.536  -0.512
  835   2HB   LEU  99           HB1      LEU  99   0.605  -0.263   0.570
  836    HG   LEU  99           HG       LEU  99   2.697   0.971   0.053
  837   1HD1  LEU  99          1HD1      LEU  99   3.072  -1.162  -2.042
  838   2HD1  LEU  99          3HD1      LEU  99   3.988   0.341  -1.927
  839   3HD1  LEU  99          2HD1      LEU  99   4.119  -0.873  -0.653
  840   1HD2  LEU  99          2HD2      LEU  99   0.920   0.249  -2.265
  841   2HD2  LEU  99          1HD2      LEU  99   0.636   1.516  -1.072
  842   3HD2  LEU  99          3HD2      LEU  99   1.985   1.654  -2.201
  843    H    VAL 100           HN       VAL 100   4.588  -1.840   2.032
  844    HA   VAL 100           HA       VAL 100   5.161  -3.780  -0.044
  845    HB   VAL 100           HB       VAL 100   6.861  -2.077   0.462
  846   1HG1  VAL 100          1HG1      VAL 100   7.039  -3.393   3.165
  847   2HG1  VAL 100          3HG1      VAL 100   8.144  -2.164   2.546
  848   3HG1  VAL 100          2HG1      VAL 100   6.449  -1.765   2.827
  849   1HG2  VAL 100          2HG2      VAL 100   7.713  -4.887   1.132
  850   2HG2  VAL 100          1HG2      VAL 100   7.617  -4.167  -0.475
  851   3HG2  VAL 100          3HG2      VAL 100   8.805  -3.576   0.689
  852    HA   PRO 101           HA       PRO 101   4.077  -7.247   2.539
  853   1HB   PRO 101           HB2      PRO 101   5.409  -9.147   1.089
  854   2HB   PRO 101           HB1      PRO 101   3.840  -8.482   0.618
  855   1HG   PRO 101           HG2      PRO 101   6.579  -7.706  -0.318
  856   2HG   PRO 101           HG1      PRO 101   5.113  -7.989  -1.279
  857   1HD   PRO 101           HD2      PRO 101   5.905  -5.512  -0.691
  858   2HD   PRO 101           HD1      PRO 101   4.179  -5.944  -0.671
  859    H    ALA 102           HN       ALA 102   7.160  -6.014   1.969
  860    HA   ALA 102           HA       ALA 102   8.962  -5.835   3.315
  861   1HB   ALA 102           HB3      ALA 102   9.040  -6.806   5.534
  862   2HB   ALA 102           HB2      ALA 102   7.482  -6.025   5.253
  863   3HB   ALA 102           HB1      ALA 102   7.616  -7.782   5.169
  864    H    ALA 103           HN       ALA 103   7.897  -9.179   3.422
  865    HA   ALA 103           HA       ALA 103  10.542 -10.068   2.620
  866   1HB   ALA 103           HB1      ALA 103   9.717 -12.325   3.029
  867   2HB   ALA 103           HB2      ALA 103   8.097 -11.691   3.313
  868   3HB   ALA 103           HB3      ALA 103   9.406 -11.289   4.423
  869    H    GLU 104           HN       GLU 104  10.769  -9.554   0.491
  870    HA   GLU 104           HA       GLU 104   9.147 -11.040  -1.391
  871   1HB   GLU 104           HB2      GLU 104   8.006  -8.814  -1.026
  872   2HB   GLU 104           HB1      GLU 104   9.440  -8.045  -1.692
  873   1HG   GLU 104           HG2      GLU 104   8.511 -10.119  -3.444
  874   2HG   GLU 104           HG1      GLU 104   7.206  -8.997  -3.071
  875    H    GLY 105           HN       GLY 105  10.199 -11.400  -3.353
  876   1HA   GLY 105           HA1      GLY 105  12.798 -11.863  -3.547
  877   2HA   GLY 105           HA2      GLY 105  12.787 -10.121  -3.789
  878    H    GLU 106           HN       GLU 106  10.533  -9.754  -5.293
  879    HA   GLU 106           HA       GLU 106  11.202 -11.142  -7.786
  880   1HB   GLU 106           HB2      GLU 106   8.440 -11.019  -6.561
  881   2HB   GLU 106           HB1      GLU 106   8.745 -11.458  -8.234
  882   1HG   GLU 106           HG2      GLU 106   9.906 -12.948  -5.902
  883   2HG   GLU 106           HG1      GLU 106   8.356 -13.350  -6.642
  884    H    ASP 107           HN       ASP 107   8.637  -8.991  -6.589
  885    HA   ASP 107           HA       ASP 107   8.512  -7.726  -9.156
  886   1HB   ASP 107           HB2      ASP 107   6.573  -8.334  -7.542
  887   2HB   ASP 107           HB1      ASP 107   6.980  -6.814  -6.749
  888    H    SER 108           HN       SER 108   9.084  -6.552  -5.858
  889    HA   SER 108           HA       SER 108   9.594  -3.889  -6.606
  890   1HB   SER 108           HB2      SER 108   9.006  -4.827  -4.321
  891   2HB   SER 108           HB1      SER 108  10.699  -5.291  -4.176
  892    HG   SER 108           HG       SER 108   9.743  -2.645  -4.618
  893    H    LEU 109           HN       LEU 109  11.607  -6.707  -6.587
  894    HA   LEU 109           HA       LEU 109  14.093  -5.277  -6.661
  895   1HB   LEU 109           HB2      LEU 109  13.456  -8.150  -7.321
  896   2HB   LEU 109           HB1      LEU 109  15.074  -7.480  -7.219
  897    HG   LEU 109           HG       LEU 109  13.102  -7.710  -4.945
  898   1HD1  LEU 109          2HD1      LEU 109  15.677  -9.162  -5.539
  899   2HD1  LEU 109          1HD1      LEU 109  14.713  -9.337  -4.072
  900   3HD1  LEU 109          3HD1      LEU 109  14.051  -9.842  -5.627
  901   1HD2  LEU 109          3HD2      LEU 109  15.929  -6.657  -5.004
  902   2HD2  LEU 109          2HD2      LEU 109  14.468  -5.723  -4.687
  903   3HD2  LEU 109          1HD2      LEU 109  14.986  -6.963  -3.544
  904    H    LYS 110           HN       LYS 110  12.259  -7.138  -9.081
  905    HA   LYS 110           HA       LYS 110  14.079  -6.227 -11.154
  906   1HB   LYS 110           HB2      LYS 110  13.304  -8.594 -10.968
  907   2HB   LYS 110           HB1      LYS 110  11.693  -8.048 -11.413
  908   1HG   LYS 110           HG2      LYS 110  12.409  -7.412 -13.580
  909   2HG   LYS 110           HG1      LYS 110  14.111  -7.609 -13.143
  910   1HD   LYS 110           HD2      LYS 110  13.694 -10.015 -12.771
  911   2HD   LYS 110           HD1      LYS 110  12.035  -9.783 -13.325
  912   1HE   LYS 110           HE2      LYS 110  12.784  -9.166 -15.510
  913   2HE   LYS 110           HE1      LYS 110  14.467  -9.139 -14.980
  914   1HZ   LYS 110           HZ1      LYS 110  12.744 -11.555 -15.000
  915   2HZ   LYS 110           HZ3      LYS 110  13.872 -11.169 -16.203
  916   3HZ   LYS 110           HZ2      LYS 110  14.397 -11.495 -14.625
  917    H    LYS 111           HN       LYS 111  10.534  -6.297 -10.823
  918    HA   LYS 111           HA       LYS 111  10.174  -4.670 -13.151
  919   1HB   LYS 111           HB2      LYS 111   8.515  -6.266 -12.894
  920   2HB   LYS 111           HB1      LYS 111   8.408  -6.028 -11.158
  921   1HG   LYS 111           HG2      LYS 111   7.224  -3.933 -11.502
  922   2HG   LYS 111           HG1      LYS 111   7.371  -4.128 -13.252
  923   1HD   LYS 111           HD2      LYS 111   5.880  -5.902 -13.307
  924   2HD   LYS 111           HD1      LYS 111   6.121  -6.288 -11.603
  925   1HE   LYS 111           HE2      LYS 111   4.706  -3.841 -12.660
  926   2HE   LYS 111           HE1      LYS 111   3.912  -5.292 -12.045
  927   1HZ   LYS 111           HZ2      LYS 111   5.113  -4.881  -9.905
  928   2HZ   LYS 111           HZ1      LYS 111   5.610  -3.384 -10.527
  929   3HZ   LYS 111           HZ3      LYS 111   3.961  -3.700 -10.304
  930    H    MET 112           HN       MET 112   9.518  -4.229  -9.715
  931    HA   MET 112           HA       MET 112   8.512  -1.583  -9.949
  932   1HB   MET 112           HB2      MET 112   7.922  -3.114  -8.127
  933   2HB   MET 112           HB1      MET 112   9.581  -3.072  -7.549
  934   1HG   MET 112           HG2      MET 112   9.365  -0.702  -7.092
  935   2HG   MET 112           HG1      MET 112   7.711  -0.729  -7.691
  936   1HE   MET 112           HE1      MET 112   5.748  -2.092  -6.511
  937   2HE   MET 112           HE3      MET 112   6.723  -3.563  -6.539
  938   3HE   MET 112           HE2      MET 112   5.960  -3.037  -5.038
  939    H    LYS 113           HN       LYS 113  11.645  -2.820 -10.007
  940    HA   LYS 113           HA       LYS 113  13.142  -1.056  -8.465
  941   1HB   LYS 113           HB2      LYS 113  13.997  -3.153  -9.388
  942   2HB   LYS 113           HB1      LYS 113  13.882  -2.498 -11.011
  943   1HG   LYS 113           HG2      LYS 113  16.086  -2.167 -10.664
  944   2HG   LYS 113           HG1      LYS 113  15.492  -0.661  -9.961
  945   1HD   LYS 113           HD2      LYS 113  15.909  -3.149  -8.332
  946   2HD   LYS 113           HD1      LYS 113  17.199  -1.984  -8.617
  947   1HE   LYS 113           HE2      LYS 113  16.005  -0.265  -7.493
  948   2HE   LYS 113           HE1      LYS 113  14.531  -1.235  -7.421
  949   1HZ   LYS 113           HZ3      LYS 113  17.049  -2.124  -6.131
  950   2HZ   LYS 113           HZ2      LYS 113  15.957  -1.107  -5.324
  951   3HZ   LYS 113           HZ1      LYS 113  15.470  -2.649  -5.832
  952    H    LEU 114           HN       LEU 114  11.905  -0.686 -11.725
  953    HA   LEU 114           HA       LEU 114  13.807   1.359 -12.366
  954   1HB   LEU 114           HB2      LEU 114  11.383   0.447 -13.911
  955   2HB   LEU 114           HB1      LEU 114  12.696   1.430 -14.531
  956    HG   LEU 114           HG       LEU 114  13.010  -1.406 -13.554
  957   1HD1  LEU 114          3HD1      LEU 114  12.816  -0.334 -16.364
  958   2HD1  LEU 114          2HD1      LEU 114  13.215  -1.995 -15.922
  959   3HD1  LEU 114          1HD1      LEU 114  11.621  -1.339 -15.546
  960   1HD2  LEU 114          2HD2      LEU 114  15.038  -0.064 -13.370
  961   2HD2  LEU 114          1HD2      LEU 114  15.192  -1.273 -14.646
  962   3HD2  LEU 114          3HD2      LEU 114  14.884   0.412 -15.061
  963    H    MET 115           HN       MET 115  10.243   1.350 -12.403
  964    HA   MET 115           HA       MET 115  10.317   4.269 -12.193
  965   1HB   MET 115           HB2      MET 115   8.988   3.393 -14.004
  966   2HB   MET 115           HB1      MET 115   8.097   2.349 -12.902
  967   1HG   MET 115           HG2      MET 115   7.367   4.510 -11.746
  968   2HG   MET 115           HG1      MET 115   7.949   5.327 -13.197
  969   1HE   MET 115           HE3      MET 115   5.444   2.701 -11.736
  970   2HE   MET 115           HE2      MET 115   4.587   2.165 -13.183
  971   3HE   MET 115           HE1      MET 115   6.291   1.766 -12.966
  972    H    GLU 116           HN       GLU 116   8.781   1.488 -10.624
  973    HA   GLU 116           HA       GLU 116   7.062   3.188  -9.128
  974   1HB   GLU 116           HB2      GLU 116   6.950   0.505  -8.196
  975   2HB   GLU 116           HB1      GLU 116   5.757   1.411  -9.114
  976   1HG   GLU 116           HG2      GLU 116   7.129   0.841 -11.166
  977   2HG   GLU 116           HG1      GLU 116   7.993  -0.294 -10.129
  978    H    LEU 117           HN       LEU 117  10.185   2.036  -8.486
  979    HA   LEU 117           HA       LEU 117  10.021   1.845  -5.662
  980   1HB   LEU 117           HB2      LEU 117  12.204   2.253  -7.637
  981   2HB   LEU 117           HB1      LEU 117  12.526   2.768  -5.997
  982    HG   LEU 117           HG       LEU 117  12.495   0.073  -7.134
  983   1HD1  LEU 117          3HD1      LEU 117  13.563   1.284  -4.594
  984   2HD1  LEU 117          2HD1      LEU 117  13.936  -0.330  -5.199
  985   3HD1  LEU 117          1HD1      LEU 117  14.432   1.092  -6.117
  986   1HD2  LEU 117          3HD2      LEU 117  10.349  -0.062  -5.948
  987   2HD2  LEU 117          2HD2      LEU 117  11.589  -1.031  -5.152
  988   3HD2  LEU 117          1HD2      LEU 117  11.126   0.531  -4.478
  989    H    ALA 118           HN       ALA 118   9.855   4.449  -7.866
  990    HA   ALA 118           HA       ALA 118   9.988   6.712  -7.766
  991   1HB   ALA 118           HB3      ALA 118   9.676   6.332  -4.787
  992   2HB   ALA 118           HB2      ALA 118   9.508   7.857  -5.659
  993   3HB   ALA 118           HB1      ALA 118   8.361   6.546  -5.944
  994    H    ILE 119           HN       ILE 119  12.180   4.730  -7.179
  995    HA   ILE 119           HA       ILE 119  14.381   4.598  -6.879
  996    HB   ILE 119           HB       ILE 119  14.670   7.583  -6.841
  997   1HG1  ILE 119          2HG1      ILE 119  14.281   5.850  -9.305
  998   2HG1  ILE 119          1HG1      ILE 119  13.088   6.984  -8.684
  999   1HG2  ILE 119          3HG2      ILE 119  16.278   5.286  -7.950
 1000   2HG2  ILE 119          2HG2      ILE 119  16.740   6.988  -8.037
 1001   3HG2  ILE 119          1HG2      ILE 119  16.625   6.185  -6.472
 1002   1HD1  ILE 119          2HD1      ILE 119  14.641   8.829  -9.089
 1003   2HD1  ILE 119          1HD1      ILE 119  15.816   7.688  -9.741
 1004   3HD1  ILE 119          3HD1      ILE 119  14.276   7.933 -10.563
 1005    H    LEU 120           HN       LEU 120  13.395   7.476  -4.997
 1006    HA   LEU 120           HA       LEU 120  15.144   6.799  -2.842
 1007   1HB   LEU 120           HB2      LEU 120  12.941   8.825  -3.129
 1008   2HB   LEU 120           HB1      LEU 120  13.782   8.584  -1.612
 1009    HG   LEU 120           HG       LEU 120  14.792  10.451  -2.643
 1010   1HD1  LEU 120          2HD1      LEU 120  16.369   8.889  -1.639
 1011   2HD1  LEU 120          1HD1      LEU 120  16.551   8.067  -3.188
 1012   3HD1  LEU 120          3HD1      LEU 120  17.088   9.737  -3.008
 1013   1HD2  LEU 120          2HD2      LEU 120  13.942  10.128  -4.903
 1014   2HD2  LEU 120          1HD2      LEU 120  15.680  10.433  -4.919
 1015   3HD2  LEU 120          3HD2      LEU 120  15.069   8.793  -5.144
 1016    H    ASN 121           HN       ASN 121  14.812   5.586  -1.154
 1017    HA   ASN 121           HA       ASN 121  12.264   5.027  -0.023
 1018   1HB   ASN 121           HB2      ASN 121  12.037   2.705  -0.565
 1019   2HB   ASN 121           HB1      ASN 121  12.264   3.557  -2.086
 1020   1HD2  ASN 121          1HD2      ASN 121  14.303   3.389  -3.147
 1021   2HD2  ASN 121          2HD2      ASN 121  15.330   2.030  -2.842
 1022    H    GLY 122           HN       GLY 122  12.893   2.631   1.285
 1023   1HA   GLY 122           HA1      GLY 122  14.060   1.820   3.082
 1024   2HA   GLY 122           HA2      GLY 122  14.477   3.493   3.410
 1025    H    THR 123           HN       THR 123  15.437   1.730   0.508
 1026    HA   THR 123           HA       THR 123  18.021   0.983   1.373
 1027    HB   THR 123           HB       THR 123  17.176   1.595  -1.465
 1028    HG1  THR 123           HG1      THR 123  16.896  -0.807   0.062
 1029   1HG2  THR 123          3HG2      THR 123  19.300  -0.230  -0.335
 1030   2HG2  THR 123          2HG2      THR 123  18.871  -0.104  -2.040
 1031   3HG2  THR 123          1HG2      THR 123  19.576   1.279  -1.204
 1032    H    TYR 124           HN       TYR 124  17.117   3.579  -0.902
 1033    HA   TYR 124           HA       TYR 124  19.620   4.947  -0.321
 1034   1HB   TYR 124           HB2      TYR 124  17.464   5.415  -2.385
 1035   2HB   TYR 124           HB1      TYR 124  18.820   6.519  -2.149
 1036    HD1  TYR 124           HD1      TYR 124  17.864   3.122  -3.215
 1037    HD2  TYR 124           HD2      TYR 124  21.017   5.962  -2.915
 1038    HE1  TYR 124           HE1      TYR 124  19.265   1.712  -4.661
 1039    HE2  TYR 124           HE2      TYR 124  22.427   4.559  -4.360
 1040    HH   TYR 124           HH       TYR 124  22.636   2.268  -5.056
 1041    H    ARG 125           HN       ARG 125  18.508   5.027   1.899
 1042    HA   ARG 125           HA       ARG 125  16.571   7.071   2.341
 1043   1HB   ARG 125           HB2      ARG 125  17.390   4.953   3.764
 1044   2HB   ARG 125           HB1      ARG 125  18.398   6.183   4.507
 1045   1HG   ARG 125           HG2      ARG 125  16.465   7.444   5.171
 1046   2HG   ARG 125           HG1      ARG 125  15.403   6.337   4.296
 1047   1HD   ARG 125           HD2      ARG 125  17.053   5.775   6.750
 1048   2HD   ARG 125           HD1      ARG 125  15.299   5.688   6.576
 1049    HE   ARG 125           HE       ARG 125  16.559   3.906   4.773
 1050   1HH1  ARG 125          1HH1      ARG 125  15.727   4.266   8.159
 1051   2HH1  ARG 125          2HH1      ARG 125  15.785   2.557   8.469
 1052   1HH2  ARG 125          1HH2      ARG 125  16.626   1.668   5.188
 1053   2HH2  ARG 125          2HH2      ARG 125  16.296   1.084   6.791
 1054    H    ASP 126           HN       ASP 126  19.873   6.968   1.761
 1055    HA   ASP 126           HA       ASP 126  20.958   8.991   3.279
 1056   1HB   ASP 126           HB2      ASP 126  21.614   7.946   0.531
 1057   2HB   ASP 126           HB1      ASP 126  22.623   9.104   1.376
 1058    H    ALA 127           HN       ALA 127  19.691   9.195  -0.044
 1059    HA   ALA 127           HA       ALA 127  19.740  12.092   0.146
 1060   1HB   ALA 127           HB2      ALA 127  20.640  11.039  -1.877
 1061   2HB   ALA 127           HB1      ALA 127  19.049  10.354  -2.213
 1062   3HB   ALA 127           HB3      ALA 127  19.279  12.103  -2.232
 1063    H    ASN 128           HN       ASN 128  17.648   9.629   0.817
 1064    HA   ASN 128           HA       ASN 128  15.185  10.768  -0.073
 1065   1HB   ASN 128           HB2      ASN 128  15.567   8.332   0.475
 1066   2HB   ASN 128           HB1      ASN 128  15.598   8.784   2.174
 1067   1HD2  ASN 128          1HD2      ASN 128  13.802   7.454   2.567
 1068   2HD2  ASN 128          2HD2      ASN 128  12.207   7.936   2.107
 1069    H    LEU 129           HN       LEU 129  16.827  10.557   3.062
 1070    HA   LEU 129           HA       LEU 129  15.318  12.935   3.928
 1071   1HB   LEU 129           HB2      LEU 129  16.698  10.757   5.494
 1072   2HB   LEU 129           HB1      LEU 129  16.280  12.291   6.223
 1073    HG   LEU 129           HG       LEU 129  14.589  10.762   6.843
 1074   1HD1  LEU 129          2HD1      LEU 129  13.554  12.442   4.569
 1075   2HD1  LEU 129          1HD1      LEU 129  12.573  11.708   5.838
 1076   3HD1  LEU 129          3HD1      LEU 129  13.755  12.952   6.246
 1077   1HD2  LEU 129          1HD2      LEU 129  14.314  10.035   3.930
 1078   2HD2  LEU 129          3HD2      LEU 129  15.002   9.024   5.201
 1079   3HD2  LEU 129          2HD2      LEU 129  13.289   9.447   5.240
 1080    H    LYS 130           HN       LYS 130  16.929  14.093   5.696
 1081    HA   LYS 130           HA       LYS 130  19.260  14.812   4.152
 1082   1HB   LYS 130           HB2      LYS 130  19.613  16.526   5.914
 1083   2HB   LYS 130           HB1      LYS 130  18.035  16.629   5.149
 1084   1HG   LYS 130           HG2      LYS 130  17.043  15.478   7.073
 1085   2HG   LYS 130           HG1      LYS 130  18.630  15.415   7.838
 1086   1HD   LYS 130           HD2      LYS 130  17.651  17.278   8.819
 1087   2HD   LYS 130           HD1      LYS 130  18.638  17.975   7.534
 1088   1HE   LYS 130           HE2      LYS 130  15.673  17.424   7.368
 1089   2HE   LYS 130           HE1      LYS 130  16.398  18.997   7.682
 1090   1HZ   LYS 130           HZ1      LYS 130  17.519  18.763   5.468
 1091   2HZ   LYS 130           HZ3      LYS 130  16.550  17.399   5.186
 1092   3HZ   LYS 130           HZ2      LYS 130  15.833  18.917   5.402
 1093    H    SER 131           HN       SER 131  18.426  12.749   6.699
 1094    HA   SER 131           HA       SER 131  21.143  11.781   6.849
 1095   1HB   SER 131           HB2      SER 131  19.673  12.668   9.352
 1096   2HB   SER 131           HB1      SER 131  21.218  11.821   9.315
 1097    HG   SER 131           HG       SER 131  21.356  13.975   7.727
 1098    HA   PRO 132           HA       PRO 132  18.687   8.056   6.953
 1099   1HB   PRO 132           HB2      PRO 132  21.141   6.607   7.574
 1100   2HB   PRO 132           HB1      PRO 132  20.182   6.589   6.093
 1101   1HG   PRO 132           HG2      PRO 132  22.647   7.701   6.219
 1102   2HG   PRO 132           HG1      PRO 132  21.377   8.305   5.140
 1103   1HD   PRO 132           HD2      PRO 132  22.262   9.363   7.802
 1104   2HD   PRO 132           HD1      PRO 132  21.870  10.251   6.312
 1105    H    ALA 133           HN       ALA 133  18.862   9.592   9.406
 1106    HA   ALA 133           HA       ALA 133  19.512   7.695  11.504
 1107   1HB   ALA 133           HB3      ALA 133  18.408  10.497  11.684
 1108   2HB   ALA 133           HB2      ALA 133  18.974   9.519  13.038
 1109   3HB   ALA 133           HB1      ALA 133  20.110  10.046  11.796
 1110    H    LEU 134           HN       LEU 134  16.894   8.399   9.564
 1111    HA   LEU 134           HA       LEU 134  15.125   6.947  11.392
 1112   1HB   LEU 134           HB2      LEU 134  13.196   8.262  10.573
 1113   2HB   LEU 134           HB1      LEU 134  14.350   9.220  11.475
 1114    HG   LEU 134           HG       LEU 134  14.385   9.196   8.466
 1115   1HD1  LEU 134          3HD1      LEU 134  12.708  10.933  10.273
 1116   2HD1  LEU 134          2HD1      LEU 134  12.982  11.229   8.557
 1117   3HD1  LEU 134          1HD1      LEU 134  12.121   9.780   9.074
 1118   1HD2  LEU 134          3HD2      LEU 134  15.249  11.224  10.526
 1119   2HD2  LEU 134          2HD2      LEU 134  16.316  10.160   9.610
 1120   3HD2  LEU 134          1HD2      LEU 134  15.384  11.406   8.779

  No H/Q in entry =        1120
  Start of MODEL    6
    1    H1   GLN   1           HT2      GLN   1 -10.810  14.971 -11.978
    2    H2   GLN   1           HT1      GLN   1 -11.479  16.193 -11.008
    3    H3   GLN   1           HT3      GLN   1  -9.993  16.441 -11.780
    4    HA   GLN   1           HA       GLN   1  -9.450  16.010  -9.578
    5   1HB   GLN   1           HB2      GLN   1 -10.966  14.995  -8.296
    6   2HB   GLN   1           HB1      GLN   1 -11.814  14.356  -9.693
    7   1HG   GLN   1           HG2      GLN   1 -10.193  12.471  -9.699
    8   2HG   GLN   1           HG1      GLN   1  -9.535  13.112  -8.203
    9   1HE2  GLN   1          1HE2      GLN   1 -12.118  11.427  -9.692
   10   2HE2  GLN   1          2HE2      GLN   1 -12.938  10.971  -8.237
   11    H    LEU   2           HN       LEU   2  -7.733  14.619  -8.895
   12    HA   LEU   2           HA       LEU   2  -6.756  12.926 -11.095
   13   1HB   LEU   2           HB2      LEU   2  -5.403  14.581  -9.026
   14   2HB   LEU   2           HB1      LEU   2  -4.597  13.119  -9.557
   15    HG   LEU   2           HG       LEU   2  -5.469  15.369 -11.367
   16   1HD1  LEU   2          2HD1      LEU   2  -3.636  16.035  -9.886
   17   2HD1  LEU   2          1HD1      LEU   2  -2.725  14.603 -10.366
   18   3HD1  LEU   2          3HD1      LEU   2  -3.079  15.860 -11.550
   19   1HD2  LEU   2          3HD2      LEU   2  -5.473  13.172 -12.441
   20   2HD2  LEU   2          2HD2      LEU   2  -4.160  14.180 -13.054
   21   3HD2  LEU   2          1HD2      LEU   2  -3.819  12.897 -11.890
   22    H    GLN   3           HN       GLN   3  -6.597  10.797 -10.793
   23    HA   GLN   3           HA       GLN   3  -6.638   9.816  -8.010
   24   1HB   GLN   3           HB2      GLN   3  -7.361   8.074 -10.335
   25   2HB   GLN   3           HB1      GLN   3  -7.793   7.898  -8.646
   26   1HG   GLN   3           HG2      GLN   3  -9.178  10.076  -9.109
   27   2HG   GLN   3           HG1      GLN   3  -9.089   9.499 -10.776
   28   1HE2  GLN   3          1HE2      GLN   3  -8.906   6.695  -9.656
   29   2HE2  GLN   3          2HE2      GLN   3 -10.533   6.274  -9.245
   30    H    GLU   4           HN       GLU   4  -4.905   8.713  -7.411
   31    HA   GLU   4           HA       GLU   4  -3.121   7.727  -9.534
   32   1HB   GLU   4           HB2      GLU   4  -2.250   8.547  -6.772
   33   2HB   GLU   4           HB1      GLU   4  -1.234   8.216  -8.172
   34   1HG   GLU   4           HG2      GLU   4  -3.207  10.460  -8.037
   35   2HG   GLU   4           HG1      GLU   4  -1.525  10.622  -7.593
   36    H    LYS   5           HN       LYS   5  -2.917   5.618  -9.561
   37    HA   LYS   5           HA       LYS   5  -3.817   4.178  -7.158
   38   1HB   LYS   5           HB2      LYS   5  -3.822   2.916  -9.880
   39   2HB   LYS   5           HB1      LYS   5  -4.707   2.444  -8.451
   40   1HG   LYS   5           HG2      LYS   5  -6.349   3.306  -9.839
   41   2HG   LYS   5           HG1      LYS   5  -6.001   4.628  -8.714
   42   1HD   LYS   5           HD2      LYS   5  -6.241   5.387 -11.052
   43   2HD   LYS   5           HD1      LYS   5  -4.649   5.740 -10.370
   44   1HE   LYS   5           HE2      LYS   5  -3.740   3.763 -11.511
   45   2HE   LYS   5           HE1      LYS   5  -5.329   3.441 -12.207
   46   1HZ   LYS   5           HZ1      LYS   5  -3.766   5.927 -12.657
   47   2HZ   LYS   5           HZ3      LYS   5  -3.813   4.616 -13.733
   48   3HZ   LYS   5           HZ2      LYS   5  -5.224   5.497 -13.412
   49    H    LEU   6           HN       LEU   6  -2.262   3.265  -6.131
   50    HA   LEU   6           HA       LEU   6   0.144   2.480  -7.611
   51   1HB   LEU   6           HB2      LEU   6  -0.156   2.913  -4.639
   52   2HB   LEU   6           HB1      LEU   6   1.340   2.762  -5.548
   53    HG   LEU   6           HG       LEU   6  -0.619   5.023  -5.953
   54   1HD1  LEU   6          3HD1      LEU   6   0.286   5.017  -3.653
   55   2HD1  LEU   6          2HD1      LEU   6   1.916   5.058  -4.326
   56   3HD1  LEU   6          1HD1      LEU   6   0.809   6.406  -4.607
   57   1HD2  LEU   6          1HD2      LEU   6   0.869   4.560  -7.835
   58   2HD2  LEU   6          3HD2      LEU   6   1.264   6.097  -7.068
   59   3HD2  LEU   6          2HD2      LEU   6   2.267   4.678  -6.765
   60    H    TYR   7           HN       TYR   7  -0.237   0.469  -8.236
   61    HA   TYR   7           HA       TYR   7  -1.914  -1.342  -6.923
   62   1HB   TYR   7           HB2      TYR   7   0.025  -1.520  -9.166
   63   2HB   TYR   7           HB1      TYR   7  -0.522  -3.024  -8.428
   64    HD1  TYR   7           HD1      TYR   7  -2.773  -3.787  -8.696
   65    HD2  TYR   7           HD2      TYR   7  -1.545  -0.059 -10.329
   66    HE1  TYR   7           HE1      TYR   7  -4.826  -3.714 -10.061
   67    HE2  TYR   7           HE2      TYR   7  -3.585   0.031 -11.692
   68    HH   TYR   7           HH       TYR   7  -6.239  -2.024 -11.191
   69    H    VAL   8           HN       VAL   8  -1.616  -2.960  -5.566
   70    HA   VAL   8           HA       VAL   8   1.125  -3.764  -4.917
   71    HB   VAL   8           HB       VAL   8   0.280  -2.218  -3.168
   72   1HG1  VAL   8          3HG1      VAL   8  -2.085  -2.705  -3.264
   73   2HG1  VAL   8          2HG1      VAL   8  -1.793  -4.345  -2.667
   74   3HG1  VAL   8          1HG1      VAL   8  -1.466  -2.954  -1.627
   75   1HG2  VAL   8          2HG2      VAL   8   0.711  -5.068  -2.336
   76   2HG2  VAL   8          1HG2      VAL   8   1.952  -3.859  -2.660
   77   3HG2  VAL   8          3HG2      VAL   8   0.869  -3.660  -1.284
   78    HA   PRO   9           HA       PRO   9  -1.045  -7.075  -6.626
   79   1HB   PRO   9           HB2      PRO   9   0.928  -8.899  -6.798
   80   2HB   PRO   9           HB1      PRO   9   0.881  -7.441  -7.803
   81   1HG   PRO   9           HG2      PRO   9   2.466  -7.998  -5.328
   82   2HG   PRO   9           HG1      PRO   9   2.966  -7.172  -6.821
   83   1HD   PRO   9           HD2      PRO   9   2.228  -5.842  -4.533
   84   2HD   PRO   9           HD1      PRO   9   2.063  -5.160  -6.164
   85    H    VAL  10           HN       VAL  10  -2.503  -7.537  -4.995
   86    HA   VAL  10           HA       VAL  10  -1.958  -9.194  -2.785
   87    HB   VAL  10           HB       VAL  10  -3.962  -7.761  -3.038
   88   1HG1  VAL  10          1HG1      VAL  10  -4.909  -9.914  -4.905
   89   2HG1  VAL  10          3HG1      VAL  10  -5.903  -8.605  -4.266
   90   3HG1  VAL  10          2HG1      VAL  10  -4.543  -8.241  -5.329
   91   1HG2  VAL  10          2HG2      VAL  10  -3.866  -9.482  -1.322
   92   2HG2  VAL  10          1HG2      VAL  10  -5.511  -9.281  -1.925
   93   3HG2  VAL  10          3HG2      VAL  10  -4.539 -10.653  -2.454
   94    H    LYS  11           HN       LYS  11  -2.525  -9.793  -6.130
   95    HA   LYS  11           HA       LYS  11  -3.075 -12.563  -6.075
   96   1HB   LYS  11           HB2      LYS  11  -1.520 -10.977  -8.132
   97   2HB   LYS  11           HB1      LYS  11  -2.090 -12.621  -8.357
   98   1HG   LYS  11           HG2      LYS  11  -4.421 -11.761  -8.074
   99   2HG   LYS  11           HG1      LYS  11  -3.749 -10.127  -8.097
  100   1HD   LYS  11           HD2      LYS  11  -2.753 -10.595 -10.302
  101   2HD   LYS  11           HD1      LYS  11  -3.485 -12.199 -10.278
  102   1HE   LYS  11           HE2      LYS  11  -4.851 -10.758 -11.615
  103   2HE   LYS  11           HE1      LYS  11  -5.714 -11.116 -10.120
  104   1HZ   LYS  11           HZ2      LYS  11  -4.105  -8.656 -10.511
  105   2HZ   LYS  11           HZ1      LYS  11  -5.769  -8.741 -10.846
  106   3HZ   LYS  11           HZ3      LYS  11  -5.205  -8.987  -9.264
  107    H    GLU  12           HN       GLU  12  -0.207 -10.674  -5.707
  108    HA   GLU  12           HA       GLU  12   1.633 -12.852  -5.940
  109   1HB   GLU  12           HB2      GLU  12   1.903  -9.984  -5.090
  110   2HB   GLU  12           HB1      GLU  12   3.251 -11.118  -5.060
  111   1HG   GLU  12           HG2      GLU  12   1.674 -10.275  -7.475
  112   2HG   GLU  12           HG1      GLU  12   3.345  -9.855  -7.095
  113    H    TYR  13           HN       TYR  13  -0.047 -11.185  -3.394
  114    HA   TYR  13           HA       TYR  13   1.218 -12.991  -1.449
  115   1HB   TYR  13           HB2      TYR  13   0.367 -10.158  -0.839
  116   2HB   TYR  13           HB1      TYR  13   1.301 -11.244   0.188
  117    HD1  TYR  13           HD1      TYR  13   3.638 -11.730  -0.325
  118    HD2  TYR  13           HD2      TYR  13   1.419  -8.926  -2.618
  119    HE1  TYR  13           HE1      TYR  13   5.729 -10.830  -1.214
  120    HE2  TYR  13           HE2      TYR  13   3.510  -8.012  -3.534
  121    HH   TYR  13           HH       TYR  13   5.855  -7.881  -2.972
  122    HA   PRO  14           HA       PRO  14  -3.332 -13.623  -1.402
  123   1HB   PRO  14           HB2      PRO  14  -3.198 -16.286  -0.889
  124   2HB   PRO  14           HB1      PRO  14  -3.086 -15.615  -2.519
  125   1HG   PRO  14           HG2      PRO  14  -0.901 -16.538  -0.698
  126   2HG   PRO  14           HG1      PRO  14  -1.087 -16.793  -2.444
  127   1HD   PRO  14           HD2      PRO  14   0.557 -14.905  -1.401
  128   2HD   PRO  14           HD1      PRO  14  -0.263 -14.708  -2.963
  129    H    ASP  15           HN       ASP  15  -0.771 -14.238   0.830
  130    HA   ASP  15           HA       ASP  15  -2.659 -14.843   2.995
  131   1HB   ASP  15           HB2      ASP  15  -0.643 -16.323   2.543
  132   2HB   ASP  15           HB1      ASP  15   0.358 -14.985   3.093
  133    H    PHE  16           HN       PHE  16  -0.891 -12.286   1.679
  134    HA   PHE  16           HA       PHE  16  -0.673 -10.909   4.257
  135   1HB   PHE  16           HB2      PHE  16   1.276 -10.955   2.591
  136   2HB   PHE  16           HB1      PHE  16   0.321  -9.812   1.637
  137    HD1  PHE  16           HD1      PHE  16   1.715 -10.347   5.034
  138    HD2  PHE  16           HD2      PHE  16   0.408  -7.531   2.127
  139    HE1  PHE  16           HE1      PHE  16   2.516  -8.511   6.455
  140    HE2  PHE  16           HE2      PHE  16   1.207  -5.694   3.541
  141    HZ   PHE  16           HZ       PHE  16   2.262  -6.181   5.709
  142    H    ASN  17           HN       ASN  17  -2.386  -9.922   4.855
  143    HA   ASN  17           HA       ASN  17  -4.338  -8.878   3.029
  144   1HB   ASN  17           HB2      ASN  17  -5.217  -7.947   5.342
  145   2HB   ASN  17           HB1      ASN  17  -5.387  -9.650   4.929
  146   1HD2  ASN  17          1HD2      ASN  17  -3.397  -7.338   6.740
  147   2HD2  ASN  17          2HD2      ASN  17  -2.802  -8.492   7.891
  148    H    PHE  18           HN       PHE  18  -3.223  -7.233   1.863
  149    HA   PHE  18           HA       PHE  18  -1.765  -5.181   3.011
  150   1HB   PHE  18           HB2      PHE  18  -3.423  -5.217   0.502
  151   2HB   PHE  18           HB1      PHE  18  -2.422  -3.839   0.978
  152    HD1  PHE  18           HD1      PHE  18  -0.008  -4.570   1.763
  153    HD2  PHE  18           HD2      PHE  18  -2.445  -6.700  -0.996
  154    HE1  PHE  18           HE1      PHE  18   1.991  -5.606   0.819
  155    HE2  PHE  18           HE2      PHE  18  -0.424  -7.756  -1.970
  156    HZ   PHE  18           HZ       PHE  18   1.777  -7.180  -1.050
  157    H    VAL  19           HN       VAL  19  -5.286  -5.418   2.709
  158    HA   VAL  19           HA       VAL  19  -5.758  -2.778   3.599
  159    HB   VAL  19           HB       VAL  19  -8.057  -3.684   4.145
  160   1HG1  VAL  19          1HG1      VAL  19  -6.939  -4.066   1.375
  161   2HG1  VAL  19          3HG1      VAL  19  -8.648  -3.882   1.770
  162   3HG1  VAL  19          2HG1      VAL  19  -7.526  -2.552   2.064
  163   1HG2  VAL  19          2HG2      VAL  19  -6.901  -6.159   2.869
  164   2HG2  VAL  19          1HG2      VAL  19  -7.473  -6.013   4.530
  165   3HG2  VAL  19          3HG2      VAL  19  -8.613  -5.885   3.190
  166    H    GLY  20           HN       GLY  20  -5.844  -5.892   5.352
  167   1HA   GLY  20           HA1      GLY  20  -5.485  -6.341   7.582
  168   2HA   GLY  20           HA2      GLY  20  -6.187  -4.761   7.913
  169    H    ARG  21           HN       ARG  21  -3.572  -4.702   5.795
  170    HA   ARG  21           HA       ARG  21  -1.572  -4.225   7.839
  171   1HB   ARG  21           HB2      ARG  21  -0.449  -5.329   6.211
  172   2HB   ARG  21           HB1      ARG  21  -1.594  -4.879   4.961
  173   1HG   ARG  21           HG2      ARG  21   0.198  -3.729   4.196
  174   2HG   ARG  21           HG1      ARG  21  -0.406  -2.510   5.317
  175   1HD   ARG  21           HD2      ARG  21   1.939  -4.330   5.570
  176   2HD   ARG  21           HD1      ARG  21   1.831  -2.604   5.850
  177    HE   ARG  21           HE       ARG  21   0.432  -3.254   7.867
  178   1HH1  ARG  21          1HH1      ARG  21   3.002  -5.241   6.584
  179   2HH1  ARG  21          2HH1      ARG  21   3.323  -6.030   8.094
  180   1HH2  ARG  21          1HH2      ARG  21   0.840  -4.319   9.867
  181   2HH2  ARG  21          2HH2      ARG  21   2.124  -5.487   9.957
  182    H    ILE  22           HN       ILE  22  -3.321  -2.486   5.311
  183    HA   ILE  22           HA       ILE  22  -1.751  -0.083   5.697
  184    HB   ILE  22           HB       ILE  22  -3.981  -0.849   3.831
  185   1HG1  ILE  22          2HG1      ILE  22  -1.848  -1.724   3.184
  186   2HG1  ILE  22          1HG1      ILE  22  -2.230  -0.389   2.102
  187   1HG2  ILE  22          3HG2      ILE  22  -2.717   1.872   4.073
  188   2HG2  ILE  22          2HG2      ILE  22  -3.760   1.347   2.751
  189   3HG2  ILE  22          1HG2      ILE  22  -4.401   1.445   4.394
  190   1HD1  ILE  22          2HD1      ILE  22  -0.782   1.050   3.555
  191   2HD1  ILE  22          1HD1      ILE  22  -0.270  -0.425   4.372
  192   3HD1  ILE  22          3HD1      ILE  22   0.054  -0.213   2.653
  193    H    LEU  23           HN       LEU  23  -5.192  -0.952   5.929
  194    HA   LEU  23           HA       LEU  23  -5.632   1.588   7.307
  195   1HB   LEU  23           HB2      LEU  23  -8.085   1.005   6.894
  196   2HB   LEU  23           HB1      LEU  23  -7.105   1.450   5.512
  197    HG   LEU  23           HG       LEU  23  -6.800  -1.098   5.185
  198   1HD1  LEU  23          1HD1      LEU  23  -9.260  -1.059   6.915
  199   2HD1  LEU  23          3HD1      LEU  23  -8.692  -2.433   5.966
  200   3HD1  LEU  23          2HD1      LEU  23  -7.712  -1.816   7.296
  201   1HD2  LEU  23          2HD2      LEU  23  -9.450   0.236   4.684
  202   2HD2  LEU  23          1HD2      LEU  23  -8.017   0.331   3.658
  203   3HD2  LEU  23          3HD2      LEU  23  -8.849  -1.210   3.870
  204    H    GLY  24           HN       GLY  24  -5.372  -1.739   7.841
  205   1HA   GLY  24           HA1      GLY  24  -5.546  -3.020   9.719
  206   2HA   GLY  24           HA2      GLY  24  -7.111  -2.251   9.938
  207    HA   PRO  25           HA       PRO  25  -4.239  -0.608  13.242
  208   1HB   PRO  25           HB2      PRO  25  -1.583  -0.800  13.068
  209   2HB   PRO  25           HB1      PRO  25  -2.587  -2.233  13.322
  210   1HG   PRO  25           HG2      PRO  25  -1.209  -1.296  10.858
  211   2HG   PRO  25           HG1      PRO  25  -1.528  -2.949  11.409
  212   1HD   PRO  25           HD2      PRO  25  -3.016  -1.475   9.511
  213   2HD   PRO  25           HD1      PRO  25  -3.471  -3.024  10.245
  214    H    ARG  26           HN       ARG  26  -3.457   0.493  10.072
  215    HA   ARG  26           HA       ARG  26  -2.426   3.020  11.174
  216   1HB   ARG  26           HB2      ARG  26  -0.753   1.585   9.955
  217   2HB   ARG  26           HB1      ARG  26  -1.706   1.817   8.496
  218   1HG   ARG  26           HG2      ARG  26   0.203   3.312   8.542
  219   2HG   ARG  26           HG1      ARG  26  -1.308   4.221   8.607
  220   1HD   ARG  26           HD2      ARG  26   0.223   5.195  10.170
  221   2HD   ARG  26           HD1      ARG  26  -1.041   4.365  11.077
  222    HE   ARG  26           HE       ARG  26   1.476   2.951  10.576
  223   1HH1  ARG  26          1HH1      ARG  26  -0.623   4.633  12.819
  224   2HH1  ARG  26          2HH1      ARG  26   0.177   4.018  14.240
  225   1HH2  ARG  26          1HH2      ARG  26   2.542   2.148  12.424
  226   2HH2  ARG  26          2HH2      ARG  26   1.984   2.585  14.013
  227    H    GLY  27           HN       GLY  27  -5.231   2.078  10.302
  228   1HA   GLY  27           HA1      GLY  27  -7.071   3.120   9.396
  229   2HA   GLY  27           HA2      GLY  27  -6.061   3.329   7.973
  230    H    LEU  28           HN       LEU  28  -5.236   4.796  11.017
  231    HA   LEU  28           HA       LEU  28  -6.467   7.279  10.730
  232   1HB   LEU  28           HB2      LEU  28  -3.950   6.424  12.126
  233   2HB   LEU  28           HB1      LEU  28  -4.442   8.105  12.107
  234    HG   LEU  28           HG       LEU  28  -5.158   7.161  14.172
  235   1HD1  LEU  28          2HD1      LEU  28  -6.713   8.715  13.118
  236   2HD1  LEU  28          1HD1      LEU  28  -7.526   7.366  12.327
  237   3HD1  LEU  28          3HD1      LEU  28  -7.564   7.507  14.084
  238   1HD2  LEU  28          3HD2      LEU  28  -5.095   4.803  13.556
  239   2HD2  LEU  28          2HD2      LEU  28  -6.627   5.221  14.325
  240   3HD2  LEU  28          1HD2      LEU  28  -6.544   5.017  12.575
  241    H    THR  29           HN       THR  29  -3.596   5.980   9.209
  242    HA   THR  29           HA       THR  29  -2.526   8.455   8.342
  243    HB   THR  29           HB       THR  29  -1.377   6.111   8.403
  244    HG1  THR  29           HG1      THR  29  -0.456   8.139   7.636
  245   1HG2  THR  29          3HG2      THR  29  -2.505   6.096   5.600
  246   2HG2  THR  29          2HG2      THR  29  -1.253   5.012   6.204
  247   3HG2  THR  29          1HG2      THR  29  -2.880   4.942   6.880
  248    H    ALA  30           HN       ALA  30  -4.886   6.228   6.957
  249    HA   ALA  30           HA       ALA  30  -5.050   7.444   4.410
  250   1HB   ALA  30           HB2      ALA  30  -5.937   5.214   4.811
  251   2HB   ALA  30           HB3      ALA  30  -7.208   6.280   4.208
  252   3HB   ALA  30           HB1      ALA  30  -7.137   5.873   5.922
  253    H    LYS  31           HN       LYS  31  -6.622   8.028   7.488
  254    HA   LYS  31           HA       LYS  31  -8.420  10.008   6.539
  255   1HB   LYS  31           HB2      LYS  31  -7.427   9.197   9.250
  256   2HB   LYS  31           HB1      LYS  31  -8.440  10.631   9.051
  257   1HG   LYS  31           HG2      LYS  31 -10.180   9.262   8.013
  258   2HG   LYS  31           HG1      LYS  31  -9.169   7.832   8.203
  259   1HD   LYS  31           HD2      LYS  31  -9.340   7.912  10.563
  260   2HD   LYS  31           HD1      LYS  31 -10.044   9.531  10.526
  261   1HE   LYS  31           HE2      LYS  31 -11.716   7.760  10.967
  262   2HE   LYS  31           HE1      LYS  31 -12.060   8.688   9.510
  263   1HZ   LYS  31           HZ3      LYS  31 -10.783   6.002   9.583
  264   2HZ   LYS  31           HZ2      LYS  31 -12.396   6.316   9.167
  265   3HZ   LYS  31           HZ1      LYS  31 -11.141   6.889   8.184
  266    H    GLN  32           HN       GLN  32  -5.108  10.026   7.638
  267    HA   GLN  32           HA       GLN  32  -4.840  12.817   7.965
  268   1HB   GLN  32           HB2      GLN  32  -2.795  10.703   7.270
  269   2HB   GLN  32           HB1      GLN  32  -2.387  12.380   7.611
  270   1HG   GLN  32           HG2      GLN  32  -3.609  10.368   9.478
  271   2HG   GLN  32           HG1      GLN  32  -2.025  11.138   9.598
  272   1HE2  GLN  32          1HE2      GLN  32  -5.454  11.587   9.901
  273   2HE2  GLN  32          2HE2      GLN  32  -5.390  13.069  10.771
  274    H    LEU  33           HN       LEU  33  -4.370  10.696   5.153
  275    HA   LEU  33           HA       LEU  33  -3.383  12.726   3.487
  276   1HB   LEU  33           HB2      LEU  33  -4.658  10.078   2.942
  277   2HB   LEU  33           HB1      LEU  33  -4.348  11.183   1.617
  278    HG   LEU  33           HG       LEU  33  -1.935  11.211   2.284
  279   1HD1  LEU  33          3HD1      LEU  33  -2.770   8.971   4.114
  280   2HD1  LEU  33          2HD1      LEU  33  -1.107   9.422   3.732
  281   3HD1  LEU  33          1HD1      LEU  33  -2.151  10.548   4.601
  282   1HD2  LEU  33          3HD2      LEU  33  -3.106   8.526   1.580
  283   2HD2  LEU  33          2HD2      LEU  33  -2.664   9.810   0.455
  284   3HD2  LEU  33          1HD2      LEU  33  -1.413   8.983   1.386
  285    H    GLU  34           HN       GLU  34  -6.731  11.628   4.047
  286    HA   GLU  34           HA       GLU  34  -7.718  13.416   2.046
  287   1HB   GLU  34           HB2      GLU  34  -9.975  12.934   3.014
  288   2HB   GLU  34           HB1      GLU  34  -9.072  11.525   2.481
  289   1HG   GLU  34           HG2      GLU  34  -8.638  10.843   4.684
  290   2HG   GLU  34           HG1      GLU  34  -9.101  12.411   5.346
  291    H    ALA  35           HN       ALA  35  -7.627  13.550   5.599
  292    HA   ALA  35           HA       ALA  35  -9.009  16.003   5.779
  293   1HB   ALA  35           HB1      ALA  35  -8.290  16.046   8.099
  294   2HB   ALA  35           HB3      ALA  35  -8.863  14.441   7.643
  295   3HB   ALA  35           HB2      ALA  35  -7.132  14.756   7.771
  296    H    GLU  36           HN       GLU  36  -5.569  15.224   5.630
  297    HA   GLU  36           HA       GLU  36  -4.852  17.975   6.195
  298   1HB   GLU  36           HB2      GLU  36  -3.684  16.307   7.416
  299   2HB   GLU  36           HB1      GLU  36  -3.326  15.392   5.966
  300   1HG   GLU  36           HG2      GLU  36  -1.398  16.535   6.904
  301   2HG   GLU  36           HG1      GLU  36  -1.759  17.033   5.253
  302    H    THR  37           HN       THR  37  -4.207  15.576   3.588
  303    HA   THR  37           HA       THR  37  -3.004  17.695   2.004
  304    HB   THR  37           HB       THR  37  -2.189  16.080   0.554
  305    HG1  THR  37           HG1      THR  37  -4.057  15.070  -0.090
  306   1HG2  THR  37          1HG2      THR  37  -2.569  14.601   3.161
  307   2HG2  THR  37          3HG2      THR  37  -1.435  14.141   1.890
  308   3HG2  THR  37          2HG2      THR  37  -1.225  15.668   2.746
  309    H    GLY  38           HN       GLY  38  -6.065  16.352   2.467
  310   1HA   GLY  38           HA1      GLY  38  -7.194  17.938   0.327
  311   2HA   GLY  38           HA2      GLY  38  -8.087  16.981   1.510
  312    H    CYS  39           HN       CYS  39  -6.142  14.729   0.762
  313    HA   CYS  39           HA       CYS  39  -7.425  13.997  -1.770
  314   1HB   CYS  39           HB2      CYS  39  -5.024  13.974  -1.937
  315   2HB   CYS  39           HB1      CYS  39  -4.896  12.971  -0.492
  316    HG   CYS  39           HG       CYS  39  -6.773  11.655  -2.925
  317    H    LYS  40           HN       LYS  40  -9.059  12.626  -1.585
  318    HA   LYS  40           HA       LYS  40  -9.293  10.994   0.784
  319   1HB   LYS  40           HB2      LYS  40 -11.295  12.007  -0.187
  320   2HB   LYS  40           HB1      LYS  40 -10.994  11.186  -1.716
  321   1HG   LYS  40           HG2      LYS  40 -11.250   9.008  -0.501
  322   2HG   LYS  40           HG1      LYS  40 -11.772   9.935   0.909
  323   1HD   LYS  40           HD2      LYS  40 -13.616  10.881  -0.379
  324   2HD   LYS  40           HD1      LYS  40 -13.085   9.997  -1.810
  325   1HE   LYS  40           HE2      LYS  40 -13.490   7.879  -0.646
  326   2HE   LYS  40           HE1      LYS  40 -14.025   8.768   0.782
  327   1HZ   LYS  40           HZ2      LYS  40 -15.750   9.787  -0.729
  328   2HZ   LYS  40           HZ1      LYS  40 -15.336   8.605  -1.868
  329   3HZ   LYS  40           HZ3      LYS  40 -15.960   8.148  -0.357
  330    H    ILE  41           HN       ILE  41  -7.475   9.668   0.625
  331    HA   ILE  41           HA       ILE  41  -7.074   8.049  -1.700
  332    HB   ILE  41           HB       ILE  41  -5.129   8.607  -0.402
  333   1HG1  ILE  41          2HG1      ILE  41  -5.749   5.674   0.020
  334   2HG1  ILE  41          1HG1      ILE  41  -5.167   6.383  -1.485
  335   1HG2  ILE  41          3HG2      ILE  41  -6.183   8.930   1.772
  336   2HG2  ILE  41          2HG2      ILE  41  -6.454   7.193   1.916
  337   3HG2  ILE  41          1HG2      ILE  41  -4.810   7.830   1.909
  338   1HD1  ILE  41          3HD1      ILE  41  -3.693   6.400   1.136
  339   2HD1  ILE  41          2HD1      ILE  41  -3.372   5.326  -0.228
  340   3HD1  ILE  41          1HD1      ILE  41  -3.115   7.065  -0.392
  341    H    MET  42           HN       MET  42  -8.119   6.284  -2.195
  342    HA   MET  42           HA       MET  42  -9.542   4.867  -0.060
  343   1HB   MET  42           HB2      MET  42 -11.173   4.213  -1.910
  344   2HB   MET  42           HB1      MET  42 -11.250   5.876  -1.344
  345   1HG   MET  42           HG2      MET  42 -10.092   6.661  -3.278
  346   2HG   MET  42           HG1      MET  42  -9.744   5.015  -3.806
  347   1HE   MET  42           HE3      MET  42 -10.698   6.103  -6.177
  348   2HE   MET  42           HE2      MET  42 -12.364   6.647  -6.364
  349   3HE   MET  42           HE1      MET  42 -11.238   7.578  -5.377
  350    H    VAL  43           HN       VAL  43  -9.145   2.756   0.078
  351    HA   VAL  43           HA       VAL  43  -7.142   1.637  -1.628
  352    HB   VAL  43           HB       VAL  43  -8.733   0.004   0.326
  353   1HG1  VAL  43          2HG1      VAL  43  -7.093  -1.093  -1.101
  354   2HG1  VAL  43          1HG1      VAL  43  -5.845   0.013  -0.519
  355   3HG1  VAL  43          3HG1      VAL  43  -6.593  -1.137   0.591
  356   1HG2  VAL  43          2HG2      VAL  43  -6.578   2.003   1.005
  357   2HG2  VAL  43          1HG2      VAL  43  -8.224   1.947   1.633
  358   3HG2  VAL  43          3HG2      VAL  43  -7.068   0.691   2.077
  359    H    ARG  44           HN       ARG  44  -7.576   0.800  -3.510
  360    HA   ARG  44           HA       ARG  44 -10.320  -0.075  -4.058
  361   1HB   ARG  44           HB2      ARG  44  -8.281   1.166  -5.902
  362   2HB   ARG  44           HB1      ARG  44  -9.747   0.384  -6.477
  363   1HG   ARG  44           HG2      ARG  44 -10.763   2.109  -4.645
  364   2HG   ARG  44           HG1      ARG  44  -9.369   3.006  -5.233
  365   1HD   ARG  44           HD2      ARG  44 -10.197   3.170  -7.342
  366   2HD   ARG  44           HD1      ARG  44 -11.151   1.692  -7.213
  367    HE   ARG  44           HE       ARG  44 -11.928   4.062  -5.662
  368   1HH1  ARG  44          1HH1      ARG  44 -12.641   1.728  -8.192
  369   2HH1  ARG  44          2HH1      ARG  44 -14.290   2.259  -8.371
  370   1HH2  ARG  44          1HH2      ARG  44 -14.090   4.754  -5.910
  371   2HH2  ARG  44          2HH2      ARG  44 -15.128   3.945  -7.054
  372    H    GLY  45           HN       GLY  45 -10.571  -2.114  -4.316
  373   1HA   GLY  45           HA1      GLY  45  -8.229  -3.823  -4.448
  374   2HA   GLY  45           HA2      GLY  45  -9.405  -3.997  -5.746
  375    H    LYS  46           HN       LYS  46  -9.113  -6.196  -4.448
  376    HA   LYS  46           HA       LYS  46 -11.647  -6.593  -3.221
  377   1HB   LYS  46           HB2      LYS  46 -10.958  -8.948  -3.077
  378   2HB   LYS  46           HB1      LYS  46 -10.690  -8.279  -4.679
  379   1HG   LYS  46           HG2      LYS  46  -8.261  -7.859  -3.702
  380   2HG   LYS  46           HG1      LYS  46  -8.731  -9.192  -2.645
  381   1HD   LYS  46           HD2      LYS  46  -7.667 -10.194  -4.487
  382   2HD   LYS  46           HD1      LYS  46  -9.395 -10.428  -4.766
  383   1HE   LYS  46           HE2      LYS  46  -9.421  -8.508  -6.272
  384   2HE   LYS  46           HE1      LYS  46  -7.702  -8.243  -5.973
  385   1HZ   LYS  46           HZ2      LYS  46  -7.333 -10.531  -6.881
  386   2HZ   LYS  46           HZ1      LYS  46  -8.960 -10.549  -7.354
  387   3HZ   LYS  46           HZ3      LYS  46  -7.899  -9.404  -8.017
  388    H    GLY  47           HN       GLY  47 -11.989  -5.803  -1.216
  389   1HA   GLY  47           HA1      GLY  47 -10.025  -6.687   0.805
  390   2HA   GLY  47           HA2      GLY  47 -11.759  -6.785   1.079
  391    H    SER  48           HN       SER  48 -11.854  -4.079  -0.406
  392    HA   SER  48           HA       SER  48 -10.458  -2.168   1.113
  393   1HB   SER  48           HB2      SER  48 -11.399  -1.739  -1.105
  394   2HB   SER  48           HB1      SER  48 -13.029  -1.933  -0.468
  395    HG   SER  48           HG       SER  48 -12.349  -0.123   1.011
  396    H    MET  49           HN       MET  49 -13.941  -2.954   1.174
  397    HA   MET  49           HA       MET  49 -14.030  -2.265   4.023
  398   1HB   MET  49           HB2      MET  49 -15.941  -1.498   1.844
  399   2HB   MET  49           HB1      MET  49 -16.520  -1.693   3.489
  400   1HG   MET  49           HG2      MET  49 -16.088   0.599   3.199
  401   2HG   MET  49           HG1      MET  49 -14.774  -0.029   4.191
  402   1HE   MET  49           HE1      MET  49 -13.359   2.141   3.737
  403   2HE   MET  49           HE3      MET  49 -12.982   2.758   2.130
  404   3HE   MET  49           HE2      MET  49 -14.641   2.809   2.726
  405    H    ARG  50           HN       ARG  50 -13.479  -4.773   3.068
  406    HA   ARG  50           HA       ARG  50 -15.579  -6.507   2.473
  407   1HB   ARG  50           HB2      ARG  50 -13.100  -6.875   2.191
  408   2HB   ARG  50           HB1      ARG  50 -13.023  -7.237   3.908
  409   1HG   ARG  50           HG2      ARG  50 -13.094  -9.302   2.742
  410   2HG   ARG  50           HG1      ARG  50 -14.668  -9.078   3.506
  411   1HD   ARG  50           HD2      ARG  50 -15.382  -8.059   1.270
  412   2HD   ARG  50           HD1      ARG  50 -13.927  -8.800   0.614
  413    HE   ARG  50           HE       ARG  50 -15.961 -10.409   2.012
  414   1HH1  ARG  50          1HH1      ARG  50 -13.924  -9.822  -0.770
  415   2HH1  ARG  50          2HH1      ARG  50 -14.484 -11.220  -1.639
  416   1HH2  ARG  50          1HH2      ARG  50 -16.685 -12.255   0.907
  417   2HH2  ARG  50          2HH2      ARG  50 -16.051 -12.612  -0.678
  418    H    ASP  51           HN       ASP  51 -16.136  -4.873   4.958
  419    HA   ASP  51           HA       ASP  51 -16.190  -6.647   7.189
  420   1HB   ASP  51           HB2      ASP  51 -16.320  -4.112   7.279
  421   2HB   ASP  51           HB1      ASP  51 -17.984  -4.254   6.720
  422    H    LYS  52           HN       LYS  52 -17.961  -7.823   8.007
  423    HA   LYS  52           HA       LYS  52 -19.389  -9.143   5.946
  424   1HB   LYS  52           HB2      LYS  52 -19.193  -9.421   8.897
  425   2HB   LYS  52           HB1      LYS  52 -20.553 -10.186   8.087
  426   1HG   LYS  52           HG2      LYS  52 -18.616 -11.689   8.410
  427   2HG   LYS  52           HG1      LYS  52 -19.081 -11.500   6.718
  428   1HD   LYS  52           HD2      LYS  52 -17.283  -9.685   6.613
  429   2HD   LYS  52           HD1      LYS  52 -16.719 -10.321   8.160
  430   1HE   LYS  52           HE2      LYS  52 -15.482 -11.278   6.273
  431   2HE   LYS  52           HE1      LYS  52 -16.377 -12.507   7.164
  432   1HZ   LYS  52           HZ1      LYS  52 -17.441 -11.228   4.705
  433   2HZ   LYS  52           HZ3      LYS  52 -16.501 -12.638   4.667
  434   3HZ   LYS  52           HZ2      LYS  52 -17.995 -12.636   5.472
  435    H    LYS  53           HN       LYS  53 -20.340  -6.716   8.318
  436    HA   LYS  53           HA       LYS  53 -23.119  -6.976   7.763
  437   1HB   LYS  53           HB2      LYS  53 -23.443  -4.959   8.998
  438   2HB   LYS  53           HB1      LYS  53 -22.195  -5.881   9.819
  439   1HG   LYS  53           HG2      LYS  53 -20.490  -4.446   8.732
  440   2HG   LYS  53           HG1      LYS  53 -21.800  -3.477   8.053
  441   1HD   LYS  53           HD2      LYS  53 -21.001  -2.399  10.045
  442   2HD   LYS  53           HD1      LYS  53 -22.608  -3.055  10.366
  443   1HE   LYS  53           HE2      LYS  53 -21.199  -3.528  12.249
  444   2HE   LYS  53           HE1      LYS  53 -21.529  -5.038  11.400
  445   1HZ   LYS  53           HZ1      LYS  53 -19.358  -4.818  10.302
  446   2HZ   LYS  53           HZ3      LYS  53 -19.045  -3.418  11.211
  447   3HZ   LYS  53           HZ2      LYS  53 -19.214  -4.918  11.990
  448    H    LYS  54           HN       LYS  54 -20.465  -5.219   6.350
  449    HA   LYS  54           HA       LYS  54 -21.938  -3.387   4.789
  450   1HB   LYS  54           HB2      LYS  54 -19.258  -3.897   5.236
  451   2HB   LYS  54           HB1      LYS  54 -19.463  -4.347   3.553
  452   1HG   LYS  54           HG2      LYS  54 -18.972  -2.161   3.256
  453   2HG   LYS  54           HG1      LYS  54 -20.710  -1.998   3.490
  454   1HD   LYS  54           HD2      LYS  54 -20.487  -1.222   5.662
  455   2HD   LYS  54           HD1      LYS  54 -18.874  -1.908   5.849
  456   1HE   LYS  54           HE2      LYS  54 -18.710   0.487   5.695
  457   2HE   LYS  54           HE1      LYS  54 -18.014  -0.238   4.250
  458   1HZ   LYS  54           HZ1      LYS  54 -20.117   0.247   3.091
  459   2HZ   LYS  54           HZ3      LYS  54 -20.692   1.036   4.481
  460   3HZ   LYS  54           HZ2      LYS  54 -19.343   1.645   3.655
  461    H    GLU  55           HN       GLU  55 -20.603  -6.602   4.049
  462    HA   GLU  55           HA       GLU  55 -21.500  -6.628   1.378
  463   1HB   GLU  55           HB2      GLU  55 -21.240  -9.195   1.694
  464   2HB   GLU  55           HB1      GLU  55 -19.820  -8.160   1.749
  465   1HG   GLU  55           HG2      GLU  55 -19.643  -8.319   4.053
  466   2HG   GLU  55           HG1      GLU  55 -21.289  -8.926   4.240
  467    H    GLU  56           HN       GLU  56 -23.127  -7.276   4.345
  468    HA   GLU  56           HA       GLU  56 -25.281  -8.738   3.173
  469   1HB   GLU  56           HB2      GLU  56 -25.153  -7.189   5.763
  470   2HB   GLU  56           HB1      GLU  56 -26.488  -8.228   5.282
  471   1HG   GLU  56           HG2      GLU  56 -24.946 -10.135   5.201
  472   2HG   GLU  56           HG1      GLU  56 -23.646  -9.082   5.757
  473    H    GLN  57           HN       GLN  57 -25.080  -5.355   4.305
  474    HA   GLN  57           HA       GLN  57 -27.523  -4.822   2.781
  475   1HB   GLN  57           HB2      GLN  57 -27.573  -2.748   4.350
  476   2HB   GLN  57           HB1      GLN  57 -28.023  -4.332   4.956
  477   1HG   GLN  57           HG2      GLN  57 -26.706  -3.478   6.639
  478   2HG   GLN  57           HG1      GLN  57 -25.608  -4.525   5.752
  479   1HE2  GLN  57          1HE2      GLN  57 -23.729  -3.583   6.213
  480   2HE2  GLN  57          2HE2      GLN  57 -23.322  -1.933   5.845
  481    H    ASN  58           HN       ASN  58 -24.258  -3.604   3.272
  482    HA   ASN  58           HA       ASN  58 -24.743  -1.382   1.427
  483   1HB   ASN  58           HB2      ASN  58 -23.536  -1.097   3.649
  484   2HB   ASN  58           HB1      ASN  58 -22.204  -1.998   2.944
  485   1HD2  ASN  58          1HD2      ASN  58 -24.116   0.927   2.699
  486   2HD2  ASN  58          2HD2      ASN  58 -22.921   1.869   1.862
  487    H    ARG  59           HN       ARG  59 -24.322  -4.412   0.975
  488    HA   ARG  59           HA       ARG  59 -22.148  -4.950  -0.599
  489   1HB   ARG  59           HB2      ARG  59 -23.664  -6.571  -1.801
  490   2HB   ARG  59           HB1      ARG  59 -23.621  -6.719  -0.050
  491   1HG   ARG  59           HG2      ARG  59 -25.740  -5.688   0.181
  492   2HG   ARG  59           HG1      ARG  59 -25.748  -5.178  -1.507
  493   1HD   ARG  59           HD2      ARG  59 -27.198  -7.139  -1.020
  494   2HD   ARG  59           HD1      ARG  59 -25.981  -7.430  -2.261
  495    HE   ARG  59           HE       ARG  59 -25.052  -8.214   0.321
  496   1HH1  ARG  59          1HH1      ARG  59 -27.054  -9.196  -2.376
  497   2HH1  ARG  59          2HH1      ARG  59 -26.968 -10.892  -1.991
  498   1HH2  ARG  59          1HH2      ARG  59 -24.921 -10.437   0.832
  499   2HH2  ARG  59          2HH2      ARG  59 -25.748 -11.600  -0.163
  500    H    GLY  60           HN       GLY  60 -21.756  -4.935  -2.842
  501   1HA   GLY  60           HA1      GLY  60 -23.603  -3.643  -4.657
  502   2HA   GLY  60           HA2      GLY  60 -22.033  -4.321  -5.067
  503    H    LYS  61           HN       LYS  61 -22.132  -2.109  -2.449
  504    HA   LYS  61           HA       LYS  61 -21.953   0.297  -3.978
  505   1HB   LYS  61           HB2      LYS  61 -21.465  -0.261  -1.055
  506   2HB   LYS  61           HB1      LYS  61 -21.427   1.349  -1.765
  507   1HG   LYS  61           HG2      LYS  61 -23.779  -0.519  -1.578
  508   2HG   LYS  61           HG1      LYS  61 -23.570   1.042  -0.780
  509   1HD   LYS  61           HD2      LYS  61 -23.514   2.118  -3.020
  510   2HD   LYS  61           HD1      LYS  61 -23.871   0.548  -3.741
  511   1HE   LYS  61           HE2      LYS  61 -25.895   1.886  -3.530
  512   2HE   LYS  61           HE1      LYS  61 -25.976   0.457  -2.498
  513   1HZ   LYS  61           HZ3      LYS  61 -25.023   3.038  -1.431
  514   2HZ   LYS  61           HZ2      LYS  61 -26.682   2.707  -1.530
  515   3HZ   LYS  61           HZ1      LYS  61 -25.674   1.715  -0.593
  516    HA   PRO  62           HA       PRO  62 -17.819   1.640  -4.929
  517   1HB   PRO  62           HB2      PRO  62 -17.863   2.515  -2.051
  518   2HB   PRO  62           HB1      PRO  62 -17.018   3.269  -3.404
  519   1HG   PRO  62           HG2      PRO  62 -19.441   4.124  -2.682
  520   2HG   PRO  62           HG1      PRO  62 -19.011   3.998  -4.399
  521   1HD   PRO  62           HD2      PRO  62 -20.925   2.403  -2.859
  522   2HD   PRO  62           HD1      PRO  62 -20.698   2.487  -4.619
  523    H    ASN  63           HN       ASN  63 -18.084   0.118  -1.773
  524    HA   ASN  63           HA       ASN  63 -15.337  -0.526  -1.407
  525   1HB   ASN  63           HB2      ASN  63 -17.413  -2.279  -0.281
  526   2HB   ASN  63           HB1      ASN  63 -16.070  -1.494   0.539
  527   1HD2  ASN  63          1HD2      ASN  63 -19.361  -1.338  -0.409
  528   2HD2  ASN  63          2HD2      ASN  63 -19.782   0.100   0.452
  529    H    TRP  64           HN       TRP  64 -18.100  -2.136  -2.747
  530    HA   TRP  64           HA       TRP  64 -16.618  -4.528  -3.431
  531   1HB   TRP  64           HB2      TRP  64 -19.488  -3.893  -4.075
  532   2HB   TRP  64           HB1      TRP  64 -18.736  -5.481  -3.885
  533    HD1  TRP  64           HD1      TRP  64 -20.452  -2.784  -1.911
  534    HE1  TRP  64           HE1      TRP  64 -20.512  -3.429   0.577
  535    HE3  TRP  64           HE3      TRP  64 -17.315  -6.795  -2.065
  536    HZ2  TRP  64           HZ2      TRP  64 -19.348  -5.391   2.257
  537    HZ3  TRP  64           HZ3      TRP  64 -16.831  -7.999   0.017
  538    HH2  TRP  64           HH2      TRP  64 -17.822  -7.311   2.136
  539    H    GLU  65           HN       GLU  65 -18.019  -1.659  -4.762
  540    HA   GLU  65           HA       GLU  65 -17.950  -2.085  -7.465
  541   1HB   GLU  65           HB2      GLU  65 -18.786  -0.015  -6.717
  542   2HB   GLU  65           HB1      GLU  65 -17.305   0.351  -5.837
  543   1HG   GLU  65           HG2      GLU  65 -16.116   0.515  -7.994
  544   2HG   GLU  65           HG1      GLU  65 -17.648   0.276  -8.825
  545    H    HIS  66           HN       HIS  66 -15.281  -0.972  -5.418
  546    HA   HIS  66           HA       HIS  66 -13.467  -1.520  -7.632
  547   1HB   HIS  66           HB2      HIS  66 -11.711  -0.459  -6.205
  548   2HB   HIS  66           HB1      HIS  66 -13.029   0.604  -6.676
  549    HD1  HIS  66           HD1      HIS  66 -13.464   2.163  -4.830
  550    HD2  HIS  66           HD2      HIS  66 -12.587  -1.644  -3.461
  551    HE1  HIS  66           HE1      HIS  66 -13.543   2.328  -2.325
  552    HE2  HIS  66           HE2      HIS  66 -12.726   0.085  -1.522
  553    H    LEU  67           HN       LEU  67 -14.803  -3.277  -5.261
  554    HA   LEU  67           HA       LEU  67 -12.524  -4.740  -4.350
  555   1HB   LEU  67           HB2      LEU  67 -14.647  -4.705  -3.097
  556   2HB   LEU  67           HB1      LEU  67 -15.428  -5.565  -4.407
  557    HG   LEU  67           HG       LEU  67 -13.085  -6.974  -3.392
  558   1HD1  LEU  67          3HD1      LEU  67 -13.796  -5.884  -1.305
  559   2HD1  LEU  67          2HD1      LEU  67 -15.414  -6.551  -1.530
  560   3HD1  LEU  67          1HD1      LEU  67 -14.046  -7.631  -1.270
  561   1HD2  LEU  67          2HD2      LEU  67 -15.996  -7.706  -3.697
  562   2HD2  LEU  67          1HD2      LEU  67 -14.720  -7.981  -4.884
  563   3HD2  LEU  67          3HD2      LEU  67 -14.685  -8.830  -3.339
  564    H    ASN  68           HN       ASN  68 -14.293  -4.620  -7.219
  565    HA   ASN  68           HA       ASN  68 -13.330  -7.255  -8.080
  566   1HB   ASN  68           HB2      ASN  68 -14.467  -6.527 -10.303
  567   2HB   ASN  68           HB1      ASN  68 -15.469  -7.021  -8.942
  568   1HD2  ASN  68          1HD2      ASN  68 -16.702  -5.553  -7.901
  569   2HD2  ASN  68          2HD2      ASN  68 -16.979  -3.942  -8.472
  570    H    GLU  69           HN       GLU  69 -11.998  -4.398  -7.697
  571    HA   GLU  69           HA       GLU  69 -10.239  -4.597 -10.032
  572   1HB   GLU  69           HB2      GLU  69 -10.225  -2.617  -7.732
  573   2HB   GLU  69           HB1      GLU  69  -9.181  -2.551  -9.144
  574   1HG   GLU  69           HG2      GLU  69 -11.201  -2.273 -10.558
  575   2HG   GLU  69           HG1      GLU  69 -12.168  -2.193  -9.086
  576    H    ASP  70           HN       ASP  70  -7.843  -4.713  -9.561
  577    HA   ASP  70           HA       ASP  70  -7.329  -6.645  -7.491
  578   1HB   ASP  70           HB2      ASP  70  -6.094  -6.523  -9.718
  579   2HB   ASP  70           HB1      ASP  70  -5.233  -5.138  -9.054
  580    H    LEU  71           HN       LEU  71  -6.189  -6.340  -5.588
  581    HA   LEU  71           HA       LEU  71  -6.894  -4.037  -4.190
  582   1HB   LEU  71           HB2      LEU  71  -6.471  -6.183  -3.121
  583   2HB   LEU  71           HB1      LEU  71  -4.770  -6.065  -3.524
  584    HG   LEU  71           HG       LEU  71  -4.427  -4.287  -1.979
  585   1HD1  LEU  71          2HD1      LEU  71  -7.427  -4.227  -1.668
  586   2HD1  LEU  71          1HD1      LEU  71  -6.287  -3.307  -0.686
  587   3HD1  LEU  71          3HD1      LEU  71  -6.417  -2.987  -2.416
  588   1HD2  LEU  71          3HD2      LEU  71  -4.531  -6.518  -1.000
  589   2HD2  LEU  71          2HD2      LEU  71  -5.133  -5.305   0.128
  590   3HD2  LEU  71          1HD2      LEU  71  -6.267  -6.334  -0.747
  591    H    HIS  72           HN       HIS  72  -6.165  -2.071  -4.568
  592    HA   HIS  72           HA       HIS  72  -3.302  -1.600  -4.373
  593   1HB   HIS  72           HB2      HIS  72  -3.261  -0.107  -6.297
  594   2HB   HIS  72           HB1      HIS  72  -3.703  -1.735  -6.781
  595    HD1  HIS  72           HD1      HIS  72  -5.976  -2.099  -7.820
  596    HD2  HIS  72           HD2      HIS  72  -5.401   1.805  -6.513
  597    HE1  HIS  72           HE1      HIS  72  -7.812  -0.756  -8.882
  598    HE2  HIS  72           HE2      HIS  72  -7.379   1.623  -8.184
  599    H    VAL  73           HN       VAL  73  -2.881   0.804  -4.138
  600    HA   VAL  73           HA       VAL  73  -5.053   1.948  -2.507
  601    HB   VAL  73           HB       VAL  73  -3.312   3.435  -1.529
  602   1HG1  VAL  73          1HG1      VAL  73  -2.742   0.483  -1.301
  603   2HG1  VAL  73          3HG1      VAL  73  -2.231   1.719  -0.151
  604   3HG1  VAL  73          2HG1      VAL  73  -3.947   1.387  -0.384
  605   1HG2  VAL  73          2HG2      VAL  73  -1.715   3.424  -3.373
  606   2HG2  VAL  73          1HG2      VAL  73  -0.944   2.915  -1.870
  607   3HG2  VAL  73          3HG2      VAL  73  -1.383   1.717  -3.086
  608    H    LEU  74           HN       LEU  74  -5.912   3.895  -3.028
  609    HA   LEU  74           HA       LEU  74  -4.864   5.184  -5.459
  610   1HB   LEU  74           HB2      LEU  74  -6.968   3.725  -5.721
  611   2HB   LEU  74           HB1      LEU  74  -7.793   4.953  -4.795
  612    HG   LEU  74           HG       LEU  74  -6.399   5.477  -7.424
  613   1HD1  LEU  74          1HD1      LEU  74  -9.319   5.028  -6.833
  614   2HD1  LEU  74          3HD1      LEU  74  -8.648   5.539  -8.380
  615   3HD1  LEU  74          2HD1      LEU  74  -8.258   3.945  -7.736
  616   1HD2  LEU  74          2HD2      LEU  74  -6.638   7.450  -5.987
  617   2HD2  LEU  74          1HD2      LEU  74  -7.677   7.551  -7.407
  618   3HD2  LEU  74          3HD2      LEU  74  -8.365   7.131  -5.840
  619    H    ILE  75           HN       ILE  75  -4.049   7.041  -4.740
  620    HA   ILE  75           HA       ILE  75  -5.505   8.613  -2.799
  621    HB   ILE  75           HB       ILE  75  -3.766  10.397  -3.655
  622   1HG1  ILE  75          2HG1      ILE  75  -2.221   7.901  -4.272
  623   2HG1  ILE  75          1HG1      ILE  75  -3.095   8.777  -5.528
  624   1HG2  ILE  75          2HG2      ILE  75  -3.881   9.410  -1.419
  625   2HG2  ILE  75          1HG2      ILE  75  -2.882   8.073  -1.986
  626   3HG2  ILE  75          3HG2      ILE  75  -2.227   9.713  -1.958
  627   1HD1  ILE  75          3HD1      ILE  75  -1.796  10.786  -5.003
  628   2HD1  ILE  75          2HD1      ILE  75  -0.892   9.867  -3.796
  629   3HD1  ILE  75          1HD1      ILE  75  -0.780   9.431  -5.503
  630    H    THR  76           HN       THR  76  -7.349   9.383  -3.477
  631    HA   THR  76           HA       THR  76  -7.533  10.523  -6.169
  632    HB   THR  76           HB       THR  76  -9.986  10.619  -4.627
  633    HG1  THR  76           HG1      THR  76  -9.354   8.836  -3.503
  634   1HG2  THR  76          3HG2      THR  76  -9.182   9.067  -7.074
  635   2HG2  THR  76          2HG2      THR  76 -10.835   9.313  -6.510
  636   3HG2  THR  76          1HG2      THR  76  -9.870  10.688  -7.055
  637    H    VAL  77           HN       VAL  77  -7.264  12.677  -6.347
  638    HA   VAL  77           HA       VAL  77  -7.970  14.317  -4.009
  639    HB   VAL  77           HB       VAL  77  -5.553  14.286  -4.374
  640   1HG1  VAL  77          1HG1      VAL  77  -6.219  15.362  -7.106
  641   2HG1  VAL  77          3HG1      VAL  77  -4.601  15.340  -6.402
  642   3HG1  VAL  77          2HG1      VAL  77  -5.441  13.824  -6.728
  643   1HG2  VAL  77          2HG2      VAL  77  -6.593  16.299  -3.480
  644   2HG2  VAL  77          1HG2      VAL  77  -5.178  16.687  -4.458
  645   3HG2  VAL  77          3HG2      VAL  77  -6.797  16.927  -5.117
  646    H    GLU  78           HN       GLU  78  -9.606  15.628  -4.321
  647    HA   GLU  78           HA       GLU  78 -10.425  16.318  -7.019
  648   1HB   GLU  78           HB2      GLU  78 -11.674  16.981  -4.340
  649   2HB   GLU  78           HB1      GLU  78 -12.380  17.356  -5.908
  650   1HG   GLU  78           HG2      GLU  78 -12.503  14.972  -6.424
  651   2HG   GLU  78           HG1      GLU  78 -11.796  14.598  -4.854
  652    H    ASP  79           HN       ASP  79  -8.872  17.648  -7.720
  653    HA   ASP  79           HA       ASP  79  -8.960  20.387  -7.262
  654   1HB   ASP  79           HB2      ASP  79  -7.814  19.614  -5.079
  655   2HB   ASP  79           HB1      ASP  79  -6.439  19.183  -6.089
  656    H    ALA  80           HN       ALA  80  -7.388  21.469  -8.679
  657    HA   ALA  80           HA       ALA  80  -6.642  19.645 -10.846
  658   1HB   ALA  80           HB3      ALA  80  -8.196  21.444 -11.406
  659   2HB   ALA  80           HB2      ALA  80  -7.001  22.635 -10.897
  660   3HB   ALA  80           HB1      ALA  80  -6.679  21.603 -12.290
  661    H    GLN  81           HN       GLN  81  -5.162  21.173  -8.296
  662    HA   GLN  81           HA       GLN  81  -2.837  22.100  -9.789
  663   1HB   GLN  81           HB2      GLN  81  -3.646  22.362  -6.903
  664   2HB   GLN  81           HB1      GLN  81  -2.095  22.922  -7.523
  665   1HG   GLN  81           HG2      GLN  81  -3.149  24.482  -8.973
  666   2HG   GLN  81           HG1      GLN  81  -4.742  23.813  -8.628
  667   1HE2  GLN  81          1HE2      GLN  81  -5.482  25.842  -8.008
  668   2HE2  GLN  81          2HE2      GLN  81  -5.046  26.543  -6.480
  669    H    ASN  82           HN       ASN  82  -0.798  21.365  -9.623
  670    HA   ASN  82           HA       ASN  82  -0.528  18.590  -8.915
  671   1HB   ASN  82           HB2      ASN  82   1.565  20.544  -9.891
  672   2HB   ASN  82           HB1      ASN  82   1.765  18.799  -9.778
  673   1HD2  ASN  82          1HD2      ASN  82   0.451  17.453 -11.150
  674   2HD2  ASN  82          2HD2      ASN  82  -0.124  18.084 -12.659
  675    H    ARG  83           HN       ARG  83  -0.052  21.541  -7.271
  676    HA   ARG  83           HA       ARG  83   1.856  20.633  -5.364
  677   1HB   ARG  83           HB2      ARG  83  -0.303  22.732  -5.084
  678   2HB   ARG  83           HB1      ARG  83   1.000  22.468  -3.935
  679   1HG   ARG  83           HG2      ARG  83   2.629  23.042  -5.685
  680   2HG   ARG  83           HG1      ARG  83   1.292  23.376  -6.791
  681   1HD   ARG  83           HD2      ARG  83   1.927  24.791  -4.206
  682   2HD   ARG  83           HD1      ARG  83   2.028  25.453  -5.840
  683    HE   ARG  83           HE       ARG  83  -0.427  25.202  -5.948
  684   1HH1  ARG  83          1HH1      ARG  83   1.164  25.389  -2.826
  685   2HH1  ARG  83          2HH1      ARG  83  -0.274  25.895  -1.979
  686   1HH2  ARG  83          1HH2      ARG  83  -2.317  25.829  -4.844
  687   2HH2  ARG  83          2HH2      ARG  83  -2.260  26.142  -3.134
  688    H    ALA  84           HN       ALA  84  -1.656  20.587  -5.589
  689    HA   ALA  84           HA       ALA  84  -2.274  19.413  -3.143
  690   1HB   ALA  84           HB2      ALA  84  -3.644  18.994  -5.808
  691   2HB   ALA  84           HB1      ALA  84  -4.316  18.574  -4.232
  692   3HB   ALA  84           HB3      ALA  84  -4.012  20.265  -4.640
  693    H    GLU  85           HN       GLU  85  -1.823  17.818  -6.315
  694    HA   GLU  85           HA       GLU  85  -1.993  15.214  -5.313
  695   1HB   GLU  85           HB2      GLU  85  -1.098  14.431  -7.387
  696   2HB   GLU  85           HB1      GLU  85  -2.099  15.828  -7.747
  697   1HG   GLU  85           HG2      GLU  85  -0.280  17.167  -8.248
  698   2HG   GLU  85           HG1      GLU  85   0.844  16.143  -7.357
  699    H    LEU  86           HN       LEU  86   0.722  17.413  -5.495
  700    HA   LEU  86           HA       LEU  86   2.810  15.612  -5.027
  701   1HB   LEU  86           HB2      LEU  86   2.961  18.028  -5.748
  702   2HB   LEU  86           HB1      LEU  86   2.644  18.478  -4.088
  703    HG   LEU  86           HG       LEU  86   5.060  18.554  -4.888
  704   1HD1  LEU  86          2HD1      LEU  86   4.407  16.938  -2.430
  705   2HD1  LEU  86          1HD1      LEU  86   5.943  17.741  -2.759
  706   3HD1  LEU  86          3HD1      LEU  86   4.479  18.697  -2.537
  707   1HD2  LEU  86          1HD2      LEU  86   5.055  16.422  -6.085
  708   2HD2  LEU  86          3HD2      LEU  86   6.306  16.473  -4.843
  709   3HD2  LEU  86          2HD2      LEU  86   4.820  15.568  -4.559
  710    H    LYS  87           HN       LYS  87   0.576  17.222  -2.827
  711    HA   LYS  87           HA       LYS  87   2.039  16.538  -0.467
  712   1HB   LYS  87           HB2      LYS  87   0.360  18.441  -0.731
  713   2HB   LYS  87           HB1      LYS  87  -0.902  17.222  -0.601
  714   1HG   LYS  87           HG2      LYS  87  -0.038  16.591   1.615
  715   2HG   LYS  87           HG1      LYS  87   1.187  17.852   1.482
  716   1HD   LYS  87           HD2      LYS  87  -1.774  18.380   1.332
  717   2HD   LYS  87           HD1      LYS  87  -0.848  18.455   2.829
  718   1HE   LYS  87           HE2      LYS  87  -0.169  20.078   0.388
  719   2HE   LYS  87           HE1      LYS  87  -1.246  20.654   1.658
  720   1HZ   LYS  87           HZ3      LYS  87   0.616  20.258   3.244
  721   2HZ   LYS  87           HZ2      LYS  87   1.631  19.955   1.916
  722   3HZ   LYS  87           HZ1      LYS  87   0.914  21.481   2.106
  723    H    LEU  88           HN       LEU  88  -0.827  15.168  -2.076
  724    HA   LEU  88           HA       LEU  88  -1.098  13.049  -0.174
  725   1HB   LEU  88           HB2      LEU  88  -2.510  12.018  -2.102
  726   2HB   LEU  88           HB1      LEU  88  -3.078  13.405  -1.196
  727    HG   LEU  88           HG       LEU  88  -1.557  14.185  -3.552
  728   1HD1  LEU  88          3HD1      LEU  88  -4.125  12.651  -3.898
  729   2HD1  LEU  88          2HD1      LEU  88  -3.293  13.578  -5.151
  730   3HD1  LEU  88          1HD1      LEU  88  -2.529  12.145  -4.461
  731   1HD2  LEU  88          2HD2      LEU  88  -2.905  15.692  -2.179
  732   2HD2  LEU  88          1HD2      LEU  88  -3.489  15.637  -3.842
  733   3HD2  LEU  88          3HD2      LEU  88  -4.350  14.761  -2.576
  734    H    LYS  89           HN       LYS  89   0.585  13.331  -3.263
  735    HA   LYS  89           HA       LYS  89   1.032  10.561  -3.584
  736   1HB   LYS  89           HB2      LYS  89   2.724  11.138  -5.227
  737   2HB   LYS  89           HB1      LYS  89   1.295  12.130  -5.448
  738   1HG   LYS  89           HG2      LYS  89   2.929  13.685  -5.723
  739   2HG   LYS  89           HG1      LYS  89   2.639  13.842  -3.993
  740   1HD   LYS  89           HD2      LYS  89   4.991  13.802  -4.307
  741   2HD   LYS  89           HD1      LYS  89   4.540  12.238  -3.629
  742   1HE   LYS  89           HE2      LYS  89   4.597  11.261  -5.875
  743   2HE   LYS  89           HE1      LYS  89   5.062  12.826  -6.538
  744   1HZ   LYS  89           HZ2      LYS  89   7.064  12.722  -5.106
  745   2HZ   LYS  89           HZ1      LYS  89   6.636  11.138  -4.670
  746   3HZ   LYS  89           HZ3      LYS  89   7.003  11.509  -6.286
  747    H    ARG  90           HN       ARG  90   2.847  13.062  -1.839
  748    HA   ARG  90           HA       ARG  90   5.063  11.354  -1.288
  749   1HB   ARG  90           HB2      ARG  90   5.821  13.020   0.280
  750   2HB   ARG  90           HB1      ARG  90   5.231  13.831  -1.162
  751   1HG   ARG  90           HG2      ARG  90   3.700  14.958  -0.017
  752   2HG   ARG  90           HG1      ARG  90   3.170  13.516   0.851
  753   1HD   ARG  90           HD2      ARG  90   4.013  15.102   2.438
  754   2HD   ARG  90           HD1      ARG  90   5.132  13.745   2.340
  755    HE   ARG  90           HE       ARG  90   5.950  15.796   0.572
  756   1HH1  ARG  90          1HH1      ARG  90   5.865  14.959   3.978
  757   2HH1  ARG  90          2HH1      ARG  90   7.153  16.055   4.403
  758   1HH2  ARG  90          1HH2      ARG  90   7.651  17.222   1.142
  759   2HH2  ARG  90          2HH2      ARG  90   8.167  17.319   2.800
  760    H    ALA  91           HN       ALA  91   2.055  12.117   0.370
  761    HA   ALA  91           HA       ALA  91   2.616  10.683   2.749
  762   1HB   ALA  91           HB2      ALA  91  -0.049  11.326   1.497
  763   2HB   ALA  91           HB1      ALA  91   0.222  10.825   3.165
  764   3HB   ALA  91           HB3      ALA  91   0.852  12.372   2.596
  765    H    VAL  92           HN       VAL  92   0.835   9.818  -0.206
  766    HA   VAL  92           HA       VAL  92   0.283   7.164   0.570
  767    HB   VAL  92           HB       VAL  92  -0.806   8.519  -1.306
  768   1HG1  VAL  92          3HG1      VAL  92   1.608   7.484  -2.771
  769   2HG1  VAL  92          2HG1      VAL  92   0.151   8.095  -3.557
  770   3HG1  VAL  92          1HG1      VAL  92   1.124   9.167  -2.549
  771   1HG2  VAL  92          1HG2      VAL  92  -1.379   6.206  -0.826
  772   2HG2  VAL  92          3HG2      VAL  92  -1.369   6.489  -2.567
  773   3HG2  VAL  92          2HG2      VAL  92  -0.020   5.647  -1.803
  774    H    GLU  93           HN       GLU  93   3.074   8.663  -0.891
  775    HA   GLU  93           HA       GLU  93   4.405   6.304  -1.640
  776   1HB   GLU  93           HB2      GLU  93   5.196   9.113  -1.094
  777   2HB   GLU  93           HB1      GLU  93   6.470   7.903  -1.126
  778   1HG   GLU  93           HG2      GLU  93   5.884   7.271  -3.369
  779   2HG   GLU  93           HG1      GLU  93   4.466   8.314  -3.332
  780    H    GLU  94           HN       GLU  94   4.165   8.001   1.444
  781    HA   GLU  94           HA       GLU  94   5.858   6.175   2.822
  782   1HB   GLU  94           HB2      GLU  94   3.693   8.039   3.794
  783   2HB   GLU  94           HB1      GLU  94   4.631   7.018   4.880
  784   1HG   GLU  94           HG2      GLU  94   6.689   8.077   4.101
  785   2HG   GLU  94           HG1      GLU  94   5.751   9.105   3.023
  786    H    VAL  95           HN       VAL  95   2.517   6.084   1.815
  787    HA   VAL  95           HA       VAL  95   1.891   3.665   3.199
  788    HB   VAL  95           HB       VAL  95   0.678   4.664   0.612
  789   1HG1  VAL  95          3HG1      VAL  95   0.391   2.205   1.179
  790   2HG1  VAL  95          2HG1      VAL  95  -0.493   2.734   2.612
  791   3HG1  VAL  95          1HG1      VAL  95  -1.109   3.131   1.010
  792   1HG2  VAL  95          2HG2      VAL  95   0.411   6.288   2.423
  793   2HG2  VAL  95          1HG2      VAL  95  -1.130   5.539   2.006
  794   3HG2  VAL  95          3HG2      VAL  95  -0.267   5.029   3.456
  795    H    LYS  96           HN       LYS  96   3.364   4.433   0.067
  796    HA   LYS  96           HA       LYS  96   3.702   1.835  -0.879
  797   1HB   LYS  96           HB2      LYS  96   5.514   4.230  -1.072
  798   2HB   LYS  96           HB1      LYS  96   5.930   2.695  -1.815
  799   1HG   LYS  96           HG2      LYS  96   3.844   2.802  -3.124
  800   2HG   LYS  96           HG1      LYS  96   3.522   4.392  -2.425
  801   1HD   LYS  96           HD2      LYS  96   5.460   5.323  -3.450
  802   2HD   LYS  96           HD1      LYS  96   6.050   3.728  -3.921
  803   1HE   LYS  96           HE2      LYS  96   4.108   3.476  -5.406
  804   2HE   LYS  96           HE1      LYS  96   3.578   5.099  -4.966
  805   1HZ   LYS  96           HZ2      LYS  96   6.230   4.549  -6.174
  806   2HZ   LYS  96           HZ1      LYS  96   4.851   4.903  -7.099
  807   3HZ   LYS  96           HZ3      LYS  96   5.452   6.048  -6.003
  808    H    LYS  97           HN       LYS  97   5.398   3.503   1.706
  809    HA   LYS  97           HA       LYS  97   7.223   1.338   2.197
  810   1HB   LYS  97           HB2      LYS  97   6.420   3.780   3.761
  811   2HB   LYS  97           HB1      LYS  97   7.482   2.561   4.443
  812   1HG   LYS  97           HG2      LYS  97   8.055   4.020   1.875
  813   2HG   LYS  97           HG1      LYS  97   8.633   4.549   3.456
  814   1HD   LYS  97           HD2      LYS  97  10.442   3.328   2.763
  815   2HD   LYS  97           HD1      LYS  97   9.520   2.063   3.578
  816   1HE   LYS  97           HE2      LYS  97  10.213   1.141   1.513
  817   2HE   LYS  97           HE1      LYS  97   8.504   1.534   1.323
  818   1HZ   LYS  97           HZ2      LYS  97   9.227   3.643   0.251
  819   2HZ   LYS  97           HZ1      LYS  97  10.821   3.083   0.302
  820   3HZ   LYS  97           HZ3      LYS  97   9.661   2.251  -0.612
  821    H    LEU  98           HN       LEU  98   3.984   2.143   3.106
  822    HA   LEU  98           HA       LEU  98   3.907   0.415   5.398
  823   1HB   LEU  98           HB2      LEU  98   2.369   2.529   4.474
  824   2HB   LEU  98           HB1      LEU  98   1.326   1.134   4.246
  825    HG   LEU  98           HG       LEU  98   0.894   2.220   6.386
  826   1HD1  LEU  98          2HD1      LEU  98   0.559  -0.189   6.222
  827   2HD1  LEU  98          1HD1      LEU  98   2.228  -0.457   6.726
  828   3HD1  LEU  98          3HD1      LEU  98   1.079   0.281   7.842
  829   1HD2  LEU  98          2HD2      LEU  98   3.765   1.571   7.012
  830   2HD2  LEU  98          1HD2      LEU  98   3.082   3.180   6.784
  831   3HD2  LEU  98          3HD2      LEU  98   2.581   2.195   8.160
  832    H    LEU  99           HN       LEU  99   2.853   0.250   2.043
  833    HA   LEU  99           HA       LEU  99   1.318  -2.119   2.366
  834   1HB   LEU  99           HB2      LEU  99   1.223  -2.089  -0.143
  835   2HB   LEU  99           HB1      LEU  99   0.560  -0.704   0.689
  836    HG   LEU  99           HG       LEU  99   2.702   0.510   0.179
  837   1HD1  LEU  99          1HD1      LEU  99   4.123  -1.410  -0.300
  838   2HD1  LEU  99          3HD1      LEU  99   3.122  -1.808  -1.699
  839   3HD1  LEU  99          2HD1      LEU  99   4.052  -0.309  -1.676
  840   1HD2  LEU  99          1HD2      LEU  99   0.643   0.911  -1.045
  841   2HD2  LEU  99          3HD2      LEU  99   2.037   1.015  -2.118
  842   3HD2  LEU  99          2HD2      LEU  99   1.018  -0.424  -2.135
  843    H    VAL 100           HN       VAL 100   4.305  -2.090   2.964
  844    HA   VAL 100           HA       VAL 100   5.459  -3.950   1.150
  845    HB   VAL 100           HB       VAL 100   6.871  -2.500   2.529
  846   1HG1  VAL 100          2HG1      VAL 100   5.526  -2.413   4.556
  847   2HG1  VAL 100          1HG1      VAL 100   5.884  -4.110   4.880
  848   3HG1  VAL 100          3HG1      VAL 100   7.179  -2.913   4.918
  849   1HG2  VAL 100          1HG2      VAL 100   7.248  -5.431   3.120
  850   2HG2  VAL 100          3HG2      VAL 100   7.825  -4.563   1.697
  851   3HG2  VAL 100          2HG2      VAL 100   8.485  -4.186   3.289
  852    HA   PRO 101           HA       PRO 101   3.144  -7.488   2.520
  853   1HB   PRO 101           HB2      PRO 101   4.517  -9.334   1.100
  854   2HB   PRO 101           HB1      PRO 101   3.371  -8.208   0.360
  855   1HG   PRO 101           HG2      PRO 101   6.362  -7.996   0.552
  856   2HG   PRO 101           HG1      PRO 101   5.319  -7.768  -0.868
  857   1HD   PRO 101           HD2      PRO 101   6.230  -5.680   0.521
  858   2HD   PRO 101           HD1      PRO 101   4.584  -5.689  -0.150
  859    H    ALA 102           HN       ALA 102   6.122  -6.677   3.577
  860    HA   ALA 102           HA       ALA 102   7.119  -9.017   4.740
  861   1HB   ALA 102           HB1      ALA 102   8.293  -7.542   6.296
  862   2HB   ALA 102           HB3      ALA 102   8.388  -6.923   4.647
  863   3HB   ALA 102           HB2      ALA 102   7.268  -6.194   5.799
  864    H    ALA 103           HN       ALA 103   6.111 -10.340   6.093
  865    HA   ALA 103           HA       ALA 103   3.770  -9.478   7.532
  866   1HB   ALA 103           HB1      ALA 103   5.110 -12.174   7.441
  867   2HB   ALA 103           HB2      ALA 103   3.788 -11.634   6.404
  868   3HB   ALA 103           HB3      ALA 103   3.527 -11.830   8.138
  869    H    GLU 104           HN       GLU 104   6.751  -8.832   8.249
  870    HA   GLU 104           HA       GLU 104   6.669  -9.624  11.065
  871   1HB   GLU 104           HB2      GLU 104   8.801  -9.924   9.896
  872   2HB   GLU 104           HB1      GLU 104   8.819  -8.223   9.456
  873   1HG   GLU 104           HG2      GLU 104  10.324  -8.705  11.308
  874   2HG   GLU 104           HG1      GLU 104   9.040  -7.595  11.784
  875    H    GLY 105           HN       GLY 105   6.413  -8.151  12.715
  876   1HA   GLY 105           HA1      GLY 105   4.779  -5.973  12.366
  877   2HA   GLY 105           HA2      GLY 105   6.402  -5.318  12.218
  878    H    GLU 106           HN       GLU 106   7.310  -7.468  14.199
  879    HA   GLU 106           HA       GLU 106   6.395  -6.004  16.579
  880   1HB   GLU 106           HB2      GLU 106   7.052  -8.952  16.367
  881   2HB   GLU 106           HB1      GLU 106   6.682  -8.109  17.866
  882   1HG   GLU 106           HG2      GLU 106   4.451  -7.587  17.030
  883   2HG   GLU 106           HG1      GLU 106   4.822  -8.416  15.520
  884    H    ASP 107           HN       ASP 107   7.971  -4.816  17.333
  885    HA   ASP 107           HA       ASP 107   9.967  -4.131  18.141
  886   1HB   ASP 107           HB2      ASP 107  10.053  -6.547  19.023
  887   2HB   ASP 107           HB1      ASP 107  11.172  -6.847  17.696
  888    H    SER 108           HN       SER 108  10.039  -6.008  15.220
  889    HA   SER 108           HA       SER 108  12.430  -5.105  14.136
  890   1HB   SER 108           HB2      SER 108  11.220  -6.953  13.166
  891   2HB   SER 108           HB1      SER 108   9.841  -5.917  12.818
  892    HG   SER 108           HG       SER 108  12.190  -6.262  11.429
  893    H    LEU 109           HN       LEU 109   9.300  -3.604  14.300
  894    HA   LEU 109           HA       LEU 109   9.609  -1.532  12.455
  895   1HB   LEU 109           HB2      LEU 109   8.144  -1.462  15.096
  896   2HB   LEU 109           HB1      LEU 109   7.891  -0.362  13.754
  897    HG   LEU 109           HG       LEU 109   7.382  -3.332  13.607
  898   1HD1  LEU 109          2HD1      LEU 109   5.476  -1.055  14.129
  899   2HD1  LEU 109          1HD1      LEU 109   4.997  -2.708  13.739
  900   3HD1  LEU 109          3HD1      LEU 109   5.881  -2.376  15.228
  901   1HD2  LEU 109          2HD2      LEU 109   6.613  -1.051  11.785
  902   2HD2  LEU 109          1HD2      LEU 109   7.825  -2.289  11.453
  903   3HD2  LEU 109          3HD2      LEU 109   6.124  -2.735  11.589
  904    H    LYS 110           HN       LYS 110  10.802  -1.958  15.680
  905    HA   LYS 110           HA       LYS 110  11.703   0.778  15.960
  906   1HB   LYS 110           HB2      LYS 110  10.835  -0.329  17.911
  907   2HB   LYS 110           HB1      LYS 110  11.922  -1.688  17.687
  908   1HG   LYS 110           HG2      LYS 110  13.831  -0.181  18.161
  909   2HG   LYS 110           HG1      LYS 110  12.673   1.109  18.508
  910   1HD   LYS 110           HD2      LYS 110  13.441  -0.058  20.550
  911   2HD   LYS 110           HD1      LYS 110  11.700  -0.198  20.299
  912   1HE   LYS 110           HE2      LYS 110  12.203  -2.412  19.149
  913   2HE   LYS 110           HE1      LYS 110  13.826  -2.269  19.822
  914   1HZ   LYS 110           HZ1      LYS 110  11.309  -2.307  21.399
  915   2HZ   LYS 110           HZ3      LYS 110  12.361  -3.618  21.200
  916   3HZ   LYS 110           HZ2      LYS 110  12.879  -2.235  22.034
  917    H    LYS 111           HN       LYS 111  13.208  -2.449  15.839
  918    HA   LYS 111           HA       LYS 111  15.853  -1.359  15.835
  919   1HB   LYS 111           HB2      LYS 111  14.848  -4.160  15.336
  920   2HB   LYS 111           HB1      LYS 111  16.545  -3.729  15.473
  921   1HG   LYS 111           HG2      LYS 111  14.484  -3.348  17.633
  922   2HG   LYS 111           HG1      LYS 111  15.633  -4.683  17.541
  923   1HD   LYS 111           HD2      LYS 111  16.373  -1.762  17.739
  924   2HD   LYS 111           HD1      LYS 111  16.359  -2.900  19.088
  925   1HE   LYS 111           HE2      LYS 111  18.071  -3.112  16.612
  926   2HE   LYS 111           HE1      LYS 111  18.616  -2.575  18.197
  927   1HZ   LYS 111           HZ1      LYS 111  17.978  -4.787  19.067
  928   2HZ   LYS 111           HZ3      LYS 111  17.626  -5.284  17.482
  929   3HZ   LYS 111           HZ2      LYS 111  19.208  -4.857  17.900
  930    H    MET 112           HN       MET 112  13.904  -3.024  13.371
  931    HA   MET 112           HA       MET 112  16.069  -2.955  11.503
  932   1HB   MET 112           HB2      MET 112  13.262  -3.982  11.385
  933   2HB   MET 112           HB1      MET 112  14.234  -3.862   9.924
  934   1HG   MET 112           HG2      MET 112  15.925  -5.299  10.900
  935   2HG   MET 112           HG1      MET 112  15.003  -5.387  12.397
  936   1HE   MET 112           HE3      MET 112  13.615  -5.396   8.736
  937   2HE   MET 112           HE2      MET 112  15.082  -6.360   8.572
  938   3HE   MET 112           HE1      MET 112  13.504  -7.123   8.389
  939    H    LYS 113           HN       LYS 113  13.066  -1.106  11.864
  940    HA   LYS 113           HA       LYS 113  13.326   0.150   9.325
  941   1HB   LYS 113           HB2      LYS 113  11.165   0.101  10.425
  942   2HB   LYS 113           HB1      LYS 113  11.798   1.016  11.787
  943   1HG   LYS 113           HG2      LYS 113  10.446   2.406  10.290
  944   2HG   LYS 113           HG1      LYS 113  12.118   2.962  10.374
  945   1HD   LYS 113           HD2      LYS 113  11.965   1.089   8.260
  946   2HD   LYS 113           HD1      LYS 113  10.593   2.185   8.086
  947   1HE   LYS 113           HE2      LYS 113  13.439   3.114   8.495
  948   2HE   LYS 113           HE1      LYS 113  12.705   2.896   6.902
  949   1HZ   LYS 113           HZ2      LYS 113  10.898   4.471   7.838
  950   2HZ   LYS 113           HZ1      LYS 113  12.073   4.901   8.976
  951   3HZ   LYS 113           HZ3      LYS 113  12.373   5.125   7.320
  952    H    LEU 114           HN       LEU 114  14.560   0.897  12.526
  953    HA   LEU 114           HA       LEU 114  15.386   3.512  11.650
  954   1HB   LEU 114           HB2      LEU 114  14.390   3.133  13.882
  955   2HB   LEU 114           HB1      LEU 114  15.765   2.133  14.306
  956    HG   LEU 114           HG       LEU 114  17.239   4.105  14.040
  957   1HD1  LEU 114          3HD1      LEU 114  15.840   5.327  12.448
  958   2HD1  LEU 114          2HD1      LEU 114  14.641   5.592  13.713
  959   3HD1  LEU 114          1HD1      LEU 114  16.244   6.315  13.852
  960   1HD2  LEU 114          2HD2      LEU 114  14.932   4.406  15.953
  961   2HD2  LEU 114          1HD2      LEU 114  16.406   3.482  16.227
  962   3HD2  LEU 114          3HD2      LEU 114  16.481   5.239  16.086
  963    H    MET 115           HN       MET 115  17.062   0.749  13.223
  964    HA   MET 115           HA       MET 115  19.590   1.989  12.454
  965   1HB   MET 115           HB2      MET 115  19.104   1.221  14.813
  966   2HB   MET 115           HB1      MET 115  19.187  -0.428  14.213
  967   1HG   MET 115           HG2      MET 115  21.466   1.463  13.794
  968   2HG   MET 115           HG1      MET 115  21.262   0.619  15.325
  969   1HE   MET 115           HE2      MET 115  20.044  -2.147  14.416
  970   2HE   MET 115           HE1      MET 115  21.506  -3.123  14.253
  971   3HE   MET 115           HE3      MET 115  21.341  -2.000  15.602
  972    H    GLU 116           HN       GLU 116  17.881  -1.096  12.056
  973    HA   GLU 116           HA       GLU 116  19.953  -2.365  10.599
  974   1HB   GLU 116           HB2      GLU 116  16.999  -2.952  10.704
  975   2HB   GLU 116           HB1      GLU 116  18.193  -3.993   9.943
  976   1HG   GLU 116           HG2      GLU 116  18.340  -3.210  12.836
  977   2HG   GLU 116           HG1      GLU 116  17.449  -4.621  12.270
  978    H    LEU 117           HN       LEU 117  17.792   0.060   9.773
  979    HA   LEU 117           HA       LEU 117  17.396  -0.386   7.020
  980   1HB   LEU 117           HB2      LEU 117  16.416   1.381   8.743
  981   2HB   LEU 117           HB1      LEU 117  17.717   2.374   8.124
  982    HG   LEU 117           HG       LEU 117  15.432   2.700   7.071
  983   1HD1  LEU 117          2HD1      LEU 117  17.729   1.975   5.255
  984   2HD1  LEU 117          1HD1      LEU 117  16.326   2.948   4.811
  985   3HD1  LEU 117          3HD1      LEU 117  17.462   3.540   6.024
  986   1HD2  LEU 117          2HD2      LEU 117  14.793   0.357   6.915
  987   2HD2  LEU 117          1HD2      LEU 117  14.788   1.116   5.323
  988   3HD2  LEU 117          3HD2      LEU 117  16.117   0.056   5.791
  989    H    ALA 118           HN       ALA 118  20.090   0.672   8.883
  990    HA   ALA 118           HA       ALA 118  22.297   0.823   8.386
  991   1HB   ALA 118           HB1      ALA 118  21.974  -0.941   6.709
  992   2HB   ALA 118           HB2      ALA 118  23.173   0.248   6.204
  993   3HB   ALA 118           HB3      ALA 118  21.552   0.285   5.513
  994    H    ILE 119           HN       ILE 119  20.078   2.914   7.875
  995    HA   ILE 119           HA       ILE 119  19.837   5.064   7.188
  996    HB   ILE 119           HB       ILE 119  21.480   6.545   8.204
  997   1HG1  ILE 119          2HG1      ILE 119  23.055   4.032   8.806
  998   2HG1  ILE 119          1HG1      ILE 119  23.538   5.279   7.661
  999   1HG2  ILE 119          2HG2      ILE 119  19.718   5.508   9.541
 1000   2HG2  ILE 119          1HG2      ILE 119  20.807   4.179   9.933
 1001   3HG2  ILE 119          3HG2      ILE 119  21.169   5.812  10.496
 1002   1HD1  ILE 119          1HD1      ILE 119  23.664   6.890   9.515
 1003   2HD1  ILE 119          3HD1      ILE 119  23.245   5.595  10.637
 1004   3HD1  ILE 119          2HD1      ILE 119  24.753   5.520   9.728
 1005    H    LEU 120           HN       LEU 120  22.164   6.873   6.692
 1006    HA   LEU 120           HA       LEU 120  22.103   6.665   3.842
 1007   1HB   LEU 120           HB2      LEU 120  23.626   8.531   5.662
 1008   2HB   LEU 120           HB1      LEU 120  23.594   8.665   3.914
 1009    HG   LEU 120           HG       LEU 120  22.054  10.267   4.696
 1010   1HD1  LEU 120          2HD1      LEU 120  21.215   8.961   2.830
 1011   2HD1  LEU 120          1HD1      LEU 120  20.471   7.822   3.951
 1012   3HD1  LEU 120          3HD1      LEU 120  19.901   9.490   3.881
 1013   1HD2  LEU 120          1HD2      LEU 120  20.926   8.110   6.465
 1014   2HD2  LEU 120          3HD2      LEU 120  21.847   9.523   6.984
 1015   3HD2  LEU 120          2HD2      LEU 120  20.244   9.728   6.275
 1016    H    ASN 121           HN       ASN 121  23.917   6.488   2.466
 1017    HA   ASN 121           HA       ASN 121  26.409   5.451   3.382
 1018   1HB   ASN 121           HB2      ASN 121  26.103   3.136   2.538
 1019   2HB   ASN 121           HB1      ASN 121  25.059   3.489   3.913
 1020   1HD2  ASN 121          1HD2      ASN 121  22.833   3.757   3.564
 1021   2HD2  ASN 121          2HD2      ASN 121  22.071   3.205   2.122
 1022    H    GLY 122           HN       GLY 122  27.368   4.100   1.301
 1023   1HA   GLY 122           HA1      GLY 122  28.472   4.885  -0.627
 1024   2HA   GLY 122           HA2      GLY 122  27.233   6.117  -0.811
 1025    H    THR 123           HN       THR 123  25.818   3.158  -0.201
 1026    HA   THR 123           HA       THR 123  25.715   2.226  -2.931
 1027    HB   THR 123           HB       THR 123  24.013   1.377  -0.580
 1028    HG1  THR 123           HG1      THR 123  25.624   0.085   0.032
 1029   1HG2  THR 123          2HG2      THR 123  23.172   0.651  -2.761
 1030   2HG2  THR 123          1HG2      THR 123  24.743  -0.062  -3.134
 1031   3HG2  THR 123          3HG2      THR 123  23.767  -0.716  -1.817
 1032    H    TYR 124           HN       TYR 124  23.628   3.893  -0.637
 1033    HA   TYR 124           HA       TYR 124  21.865   4.630  -2.877
 1034   1HB   TYR 124           HB2      TYR 124  21.205   4.279   0.050
 1035   2HB   TYR 124           HB1      TYR 124  20.114   5.024  -1.114
 1036    HD1  TYR 124           HD1      TYR 124  19.388   3.614  -3.128
 1037    HD2  TYR 124           HD2      TYR 124  21.261   1.968   0.318
 1038    HE1  TYR 124           HE1      TYR 124  18.520   1.391  -3.723
 1039    HE2  TYR 124           HE2      TYR 124  20.405  -0.257  -0.272
 1040    HH   TYR 124           HH       TYR 124  18.431  -1.167  -1.599
 1041    H    ARG 125           HN       ARG 125  23.196   6.383  -3.408
 1042    HA   ARG 125           HA       ARG 125  23.416   8.549  -1.501
 1043   1HB   ARG 125           HB2      ARG 125  24.209   8.396  -4.418
 1044   2HB   ARG 125           HB1      ARG 125  24.599   9.718  -3.323
 1045   1HG   ARG 125           HG2      ARG 125  26.076   8.402  -2.076
 1046   2HG   ARG 125           HG1      ARG 125  25.437   6.900  -2.744
 1047   1HD   ARG 125           HD2      ARG 125  27.533   7.268  -3.778
 1048   2HD   ARG 125           HD1      ARG 125  26.301   7.650  -4.976
 1049    HE   ARG 125           HE       ARG 125  27.519   9.816  -3.417
 1050   1HH1  ARG 125          1HH1      ARG 125  26.857   8.269  -6.482
 1051   2HH1  ARG 125          2HH1      ARG 125  27.677   9.487  -7.423
 1052   1HH2  ARG 125          1HH2      ARG 125  28.575  11.431  -4.630
 1053   2HH2  ARG 125          2HH2      ARG 125  28.640  11.294  -6.364
 1054    H    ASP 126           HN       ASP 126  21.288   7.348  -3.803
 1055    HA   ASP 126           HA       ASP 126  19.860   9.581  -4.636
 1056   1HB   ASP 126           HB2      ASP 126  18.876   6.795  -3.959
 1057   2HB   ASP 126           HB1      ASP 126  18.021   7.973  -4.937
 1058    H    ALA 127           HN       ALA 127  18.793   7.301  -2.128
 1059    HA   ALA 127           HA       ALA 127  17.373   9.335  -0.707
 1060   1HB   ALA 127           HB3      ALA 127  16.579   7.021  -0.697
 1061   2HB   ALA 127           HB1      ALA 127  16.897   7.606   0.936
 1062   3HB   ALA 127           HB2      ALA 127  18.047   6.524   0.147
 1063    H    ASN 128           HN       ASN 128  18.761  10.858  -0.150
 1064    HA   ASN 128           HA       ASN 128  20.407  10.849   2.066
 1065   1HB   ASN 128           HB2      ASN 128  21.977   9.376   0.986
 1066   2HB   ASN 128           HB1      ASN 128  21.859  10.254  -0.536
 1067   1HD2  ASN 128          1HD2      ASN 128  23.005  12.135  -0.811
 1068   2HD2  ASN 128          2HD2      ASN 128  24.249  12.653   0.273
 1069    H    LEU 129           HN       LEU 129  20.234  11.873  -1.290
 1070    HA   LEU 129           HA       LEU 129  20.223  14.689  -0.461
 1071   1HB   LEU 129           HB2      LEU 129  21.662  13.778  -2.398
 1072   2HB   LEU 129           HB1      LEU 129  20.163  13.622  -3.285
 1073    HG   LEU 129           HG       LEU 129  21.131  16.241  -2.159
 1074   1HD1  LEU 129          1HD1      LEU 129  21.567  15.093  -4.911
 1075   2HD1  LEU 129          3HD1      LEU 129  21.931  16.749  -4.424
 1076   3HD1  LEU 129          2HD1      LEU 129  22.808  15.402  -3.697
 1077   1HD2  LEU 129          3HD2      LEU 129  18.737  16.119  -2.707
 1078   2HD2  LEU 129          2HD2      LEU 129  19.599  17.211  -3.791
 1079   3HD2  LEU 129          1HD2      LEU 129  19.146  15.598  -4.341
 1080    H    LYS 130           HN       LYS 130  18.365  12.201  -2.154
 1081    HA   LYS 130           HA       LYS 130  16.034  13.890  -2.347
 1082   1HB   LYS 130           HB2      LYS 130  16.458  10.993  -3.076
 1083   2HB   LYS 130           HB1      LYS 130  14.971  11.885  -3.363
 1084   1HG   LYS 130           HG2      LYS 130  16.102  13.367  -4.887
 1085   2HG   LYS 130           HG1      LYS 130  17.651  12.601  -4.528
 1086   1HD   LYS 130           HD2      LYS 130  16.884  10.514  -5.477
 1087   2HD   LYS 130           HD1      LYS 130  15.273  11.188  -5.733
 1088   1HE   LYS 130           HE2      LYS 130  16.149  12.765  -7.338
 1089   2HE   LYS 130           HE1      LYS 130  17.796  12.222  -7.017
 1090   1HZ   LYS 130           HZ1      LYS 130  15.657  10.459  -8.087
 1091   2HZ   LYS 130           HZ3      LYS 130  16.778  11.281  -9.063
 1092   3HZ   LYS 130           HZ2      LYS 130  17.318  10.110  -7.967
 1093    H    SER 131           HN       SER 131  16.209  14.093   0.105
 1094    HA   SER 131           HA       SER 131  14.195  12.351   1.245
 1095   1HB   SER 131           HB2      SER 131  16.926  12.610   2.535
 1096   2HB   SER 131           HB1      SER 131  15.534  11.788   3.232
 1097    HG   SER 131           HG       SER 131  15.883  10.800   0.809
 1098    HA   PRO 132           HA       PRO 132  13.453  16.532   2.685
 1099   1HB   PRO 132           HB2      PRO 132  10.833  16.253   3.146
 1100   2HB   PRO 132           HB1      PRO 132  11.478  16.304   1.501
 1101   1HG   PRO 132           HG2      PRO 132  10.614  13.946   3.126
 1102   2HG   PRO 132           HG1      PRO 132  10.346  14.280   1.406
 1103   1HD   PRO 132           HD2      PRO 132  12.323  12.623   2.396
 1104   2HD   PRO 132           HD1      PRO 132  12.370  13.416   0.808
 1105    H    ALA 133           HN       ALA 133  13.276  13.616   4.454
 1106    HA   ALA 133           HA       ALA 133  12.836  15.128   6.937
 1107   1HB   ALA 133           HB3      ALA 133  11.930  12.310   6.370
 1108   2HB   ALA 133           HB1      ALA 133  10.893  13.734   6.461
 1109   3HB   ALA 133           HB2      ALA 133  11.748  13.171   7.898
 1110    H    LEU 134           HN       LEU 134  15.194  15.299   6.689
 1111    HA   LEU 134           HA       LEU 134  16.506  13.008   7.991
 1112   1HB   LEU 134           HB2      LEU 134  17.692  15.054   6.114
 1113   2HB   LEU 134           HB1      LEU 134  18.645  13.916   7.046
 1114    HG   LEU 134           HG       LEU 134  16.631  13.189   4.915
 1115   1HD1  LEU 134          1HD1      LEU 134  18.654  14.228   4.018
 1116   2HD1  LEU 134          3HD1      LEU 134  19.644  13.070   4.906
 1117   3HD1  LEU 134          2HD1      LEU 134  18.576  12.511   3.617
 1118   1HD2  LEU 134          2HD2      LEU 134  18.513  11.461   6.519
 1119   2HD2  LEU 134          1HD2      LEU 134  16.756  11.499   6.666
 1120   3HD2  LEU 134          3HD2      LEU 134  17.504  10.918   5.179

  No H/Q in entry =        1120
  Start of MODEL    7
    1    H1   GLN   1           HT2      GLN   1 -11.688  13.480 -10.859
    2    H2   GLN   1           HT1      GLN   1 -12.218  15.023 -10.414
    3    H3   GLN   1           HT3      GLN   1 -11.375  14.799 -11.868
    4    HA   GLN   1           HA       GLN   1  -9.927  15.777 -10.258
    5   1HB   GLN   1           HB2      GLN   1  -9.455  14.808  -8.167
    6   2HB   GLN   1           HB1      GLN   1 -11.202  14.758  -8.297
    7   1HG   GLN   1           HG2      GLN   1  -9.297  12.497  -8.704
    8   2HG   GLN   1           HG1      GLN   1 -10.286  12.768  -7.279
    9   1HE2  GLN   1          1HE2      GLN   1 -10.215  11.768 -10.568
   10   2HE2  GLN   1          2HE2      GLN   1 -11.793  11.079 -10.597
   11    H    LEU   2           HN       LEU   2  -7.761  14.471  -9.389
   12    HA   LEU   2           HA       LEU   2  -7.102  12.703 -11.645
   13   1HB   LEU   2           HB2      LEU   2  -4.842  13.334 -11.483
   14   2HB   LEU   2           HB1      LEU   2  -5.738  14.826 -11.317
   15    HG   LEU   2           HG       LEU   2  -5.421  14.336  -8.738
   16   1HD1  LEU   2          2HD1      LEU   2  -4.318  12.174  -9.062
   17   2HD1  LEU   2          1HD1      LEU   2  -3.039  12.966  -9.981
   18   3HD1  LEU   2          3HD1      LEU   2  -3.253  13.334  -8.267
   19   1HD2  LEU   2          3HD2      LEU   2  -4.657  16.320  -9.925
   20   2HD2  LEU   2          2HD2      LEU   2  -3.425  15.739  -8.808
   21   3HD2  LEU   2          1HD2      LEU   2  -3.263  15.427 -10.535
   22    H    GLN   3           HN       GLN   3  -6.519  10.643 -11.248
   23    HA   GLN   3           HA       GLN   3  -6.376   9.844  -8.408
   24   1HB   GLN   3           HB2      GLN   3  -7.269   8.044 -10.651
   25   2HB   GLN   3           HB1      GLN   3  -7.445   7.786  -8.927
   26   1HG   GLN   3           HG2      GLN   3  -8.977   9.850  -8.993
   27   2HG   GLN   3           HG1      GLN   3  -9.011   9.578 -10.735
   28   1HE2  GLN   3          1HE2      GLN   3  -8.730   6.644 -10.289
   29   2HE2  GLN   3          2HE2      GLN   3 -10.288   6.110  -9.771
   30    H    GLU   4           HN       GLU   4  -4.569   8.792  -7.815
   31    HA   GLU   4           HA       GLU   4  -2.937   7.631  -9.970
   32   1HB   GLU   4           HB2      GLU   4  -1.758   8.376  -7.318
   33   2HB   GLU   4           HB1      GLU   4  -0.965   8.215  -8.880
   34   1HG   GLU   4           HG2      GLU   4  -2.532  10.257  -9.480
   35   2HG   GLU   4           HG1      GLU   4  -2.475  10.487  -7.736
   36    H    LYS   5           HN       LYS   5  -2.841   5.505  -9.931
   37    HA   LYS   5           HA       LYS   5  -3.730   4.165  -7.476
   38   1HB   LYS   5           HB2      LYS   5  -3.497   2.593  -9.981
   39   2HB   LYS   5           HB1      LYS   5  -4.658   2.459  -8.684
   40   1HG   LYS   5           HG2      LYS   5  -5.893   3.125 -10.555
   41   2HG   LYS   5           HG1      LYS   5  -5.707   4.575  -9.560
   42   1HD   LYS   5           HD2      LYS   5  -4.387   5.616 -11.068
   43   2HD   LYS   5           HD1      LYS   5  -3.632   4.115 -11.621
   44   1HE   LYS   5           HE2      LYS   5  -6.406   5.081 -12.321
   45   2HE   LYS   5           HE1      LYS   5  -4.995   5.146 -13.374
   46   1HZ   LYS   5           HZ2      LYS   5  -4.887   2.674 -13.167
   47   2HZ   LYS   5           HZ1      LYS   5  -6.387   2.719 -12.388
   48   3HZ   LYS   5           HZ3      LYS   5  -6.253   3.256 -13.991
   49    H    LEU   6           HN       LEU   6  -2.268   3.224  -6.347
   50    HA   LEU   6           HA       LEU   6   0.221   2.387  -7.656
   51   1HB   LEU   6           HB2      LEU   6  -0.217   2.886  -4.715
   52   2HB   LEU   6           HB1      LEU   6   1.311   2.786  -5.578
   53    HG   LEU   6           HG       LEU   6  -0.714   4.956  -6.117
   54   1HD1  LEU   6          3HD1      LEU   6  -0.026   5.067  -3.771
   55   2HD1  LEU   6          2HD1      LEU   6   1.666   5.087  -4.273
   56   3HD1  LEU   6          1HD1      LEU   6   0.598   6.425  -4.707
   57   1HD2  LEU   6          2HD2      LEU   6   0.912   4.563  -7.883
   58   2HD2  LEU   6          1HD2      LEU   6   1.212   6.109  -7.090
   59   3HD2  LEU   6          3HD2      LEU   6   2.232   4.716  -6.724
   60    H    TYR   7           HN       TYR   7  -0.078   0.332  -8.206
   61    HA   TYR   7           HA       TYR   7  -2.004  -1.317  -6.902
   62   1HB   TYR   7           HB2      TYR   7  -0.230  -1.540  -9.256
   63   2HB   TYR   7           HB1      TYR   7  -0.670  -3.060  -8.484
   64    HD1  TYR   7           HD1      TYR   7  -2.784  -4.013  -8.805
   65    HD2  TYR   7           HD2      TYR   7  -2.078  -0.005 -10.041
   66    HE1  TYR   7           HE1      TYR   7  -4.946  -3.999  -9.982
   67    HE2  TYR   7           HE2      TYR   7  -4.234   0.023 -11.221
   68    HH   TYR   7           HH       TYR   7  -6.555  -2.552 -10.874
   69    H    VAL   8           HN       VAL   8  -1.772  -3.087  -5.685
   70    HA   VAL   8           HA       VAL   8   0.891  -4.091  -5.065
   71    HB   VAL   8           HB       VAL   8   0.403  -2.367  -3.373
   72   1HG1  VAL   8          1HG1      VAL   8  -2.028  -2.489  -3.353
   73   2HG1  VAL   8          3HG1      VAL   8  -1.947  -4.094  -2.607
   74   3HG1  VAL   8          2HG1      VAL   8  -1.360  -2.680  -1.725
   75   1HG2  VAL   8          1HG2      VAL   8   0.421  -5.196  -2.377
   76   2HG2  VAL   8          3HG2      VAL   8   1.816  -4.205  -2.806
   77   3HG2  VAL   8          2HG2      VAL   8   0.825  -3.775  -1.412
   78    HA   PRO   9           HA       PRO   9  -1.831  -7.278  -6.265
   79   1HB   PRO   9           HB2      PRO   9  -0.046  -9.242  -6.654
   80   2HB   PRO   9           HB1      PRO   9  -0.135  -7.825  -7.707
   81   1HG   PRO   9           HG2      PRO   9   1.773  -8.432  -5.491
   82   2HG   PRO   9           HG1      PRO   9   2.086  -7.691  -7.075
   83   1HD   PRO   9           HD2      PRO   9   1.802  -6.263  -4.733
   84   2HD   PRO   9           HD1      PRO   9   1.500  -5.599  -6.350
   85    H    VAL  10           HN       VAL  10  -3.140  -7.777  -4.624
   86    HA   VAL  10           HA       VAL  10  -2.238  -8.875  -2.162
   87    HB   VAL  10           HB       VAL  10  -4.274  -7.443  -2.529
   88   1HG1  VAL  10          1HG1      VAL  10  -5.245  -8.618  -4.409
   89   2HG1  VAL  10          3HG1      VAL  10  -5.515 -10.038  -3.397
   90   3HG1  VAL  10          2HG1      VAL  10  -6.383  -8.538  -3.063
   91   1HG2  VAL  10          3HG2      VAL  10  -4.568  -9.985  -0.946
   92   2HG2  VAL  10          2HG2      VAL  10  -3.839  -8.474  -0.398
   93   3HG2  VAL  10          1HG2      VAL  10  -5.569  -8.545  -0.741
   94    H    LYS  11           HN       LYS  11  -3.251 -10.234  -5.164
   95    HA   LYS  11           HA       LYS  11  -3.878 -12.849  -4.119
   96   1HB   LYS  11           HB2      LYS  11  -3.144 -12.088  -6.956
   97   2HB   LYS  11           HB1      LYS  11  -3.897 -13.590  -6.443
   98   1HG   LYS  11           HG2      LYS  11  -5.842 -12.222  -5.641
   99   2HG   LYS  11           HG1      LYS  11  -5.097 -10.838  -6.449
  100   1HD   LYS  11           HD2      LYS  11  -5.922 -13.432  -7.741
  101   2HD   LYS  11           HD1      LYS  11  -6.755 -11.883  -7.895
  102   1HE   LYS  11           HE2      LYS  11  -3.935 -12.464  -8.801
  103   2HE   LYS  11           HE1      LYS  11  -5.350 -12.400  -9.850
  104   1HZ   LYS  11           HZ2      LYS  11  -4.501 -10.103  -8.180
  105   2HZ   LYS  11           HZ1      LYS  11  -3.933 -10.345  -9.760
  106   3HZ   LYS  11           HZ3      LYS  11  -5.585 -10.107  -9.481
  107    H    GLU  12           HN       GLU  12  -1.153 -11.061  -5.108
  108    HA   GLU  12           HA       GLU  12   0.639 -13.252  -5.471
  109   1HB   GLU  12           HB2      GLU  12   1.056 -10.292  -5.166
  110   2HB   GLU  12           HB1      GLU  12   2.343 -11.440  -5.502
  111   1HG   GLU  12           HG2      GLU  12  -0.008 -10.783  -7.243
  112   2HG   GLU  12           HG1      GLU  12   1.693 -10.460  -7.567
  113    H    TYR  13           HN       TYR  13  -0.367 -11.189  -2.887
  114    HA   TYR  13           HA       TYR  13   1.336 -12.750  -1.056
  115   1HB   TYR  13           HB2      TYR  13   0.337  -9.927  -0.595
  116   2HB   TYR  13           HB1      TYR  13   1.452 -10.836   0.424
  117    HD1  TYR  13           HD1      TYR  13   3.786 -10.833  -0.032
  118    HD2  TYR  13           HD2      TYR  13   1.065  -9.213  -2.864
  119    HE1  TYR  13           HE1      TYR  13   5.668  -9.880  -1.295
  120    HE2  TYR  13           HE2      TYR  13   2.926  -8.277  -4.145
  121    HH   TYR  13           HH       TYR  13   6.091  -9.207  -3.735
  122    HA   PRO  14           HA       PRO  14  -3.214 -13.513  -0.389
  123   1HB   PRO  14           HB2      PRO  14  -2.967 -16.189   0.073
  124   2HB   PRO  14           HB1      PRO  14  -3.165 -15.496  -1.539
  125   1HG   PRO  14           HG2      PRO  14  -0.670 -16.403  -0.159
  126   2HG   PRO  14           HG1      PRO  14  -1.168 -16.643  -1.844
  127   1HD   PRO  14           HD2      PRO  14   0.617 -14.753  -1.121
  128   2HD   PRO  14           HD1      PRO  14  -0.512 -14.521  -2.470
  129    H    ASP  15           HN       ASP  15  -0.341 -14.200   1.416
  130    HA   ASP  15           HA       ASP  15  -1.880 -14.642   3.869
  131   1HB   ASP  15           HB2      ASP  15  -0.118 -16.231   3.550
  132   2HB   ASP  15           HB1      ASP  15   1.049 -14.960   3.202
  133    H    PHE  16           HN       PHE  16  -0.305 -12.148   2.178
  134    HA   PHE  16           HA       PHE  16  -0.052 -10.561   4.639
  135   1HB   PHE  16           HB2      PHE  16   1.900 -10.672   3.000
  136   2HB   PHE  16           HB1      PHE  16   0.898  -9.703   1.911
  137    HD1  PHE  16           HD1      PHE  16   2.507  -9.732   5.254
  138    HD2  PHE  16           HD2      PHE  16   0.674  -7.390   2.207
  139    HE1  PHE  16           HE1      PHE  16   3.243  -7.683   6.387
  140    HE2  PHE  16           HE2      PHE  16   1.412  -5.334   3.342
  141    HZ   PHE  16           HZ       PHE  16   2.654  -5.503   5.497
  142    H    ASN  17           HN       ASN  17  -1.845  -9.675   5.154
  143    HA   ASN  17           HA       ASN  17  -3.792  -8.852   3.196
  144   1HB   ASN  17           HB2      ASN  17  -4.791  -7.843   5.455
  145   2HB   ASN  17           HB1      ASN  17  -4.939  -9.549   5.050
  146   1HD2  ASN  17          1HD2      ASN  17  -2.970  -7.230   6.856
  147   2HD2  ASN  17          2HD2      ASN  17  -2.467  -8.349   8.072
  148    H    PHE  18           HN       PHE  18  -3.026  -7.143   2.000
  149    HA   PHE  18           HA       PHE  18  -1.576  -4.995   3.072
  150   1HB   PHE  18           HB2      PHE  18  -3.287  -5.117   0.585
  151   2HB   PHE  18           HB1      PHE  18  -2.219  -3.771   1.000
  152    HD1  PHE  18           HD1      PHE  18   0.277  -4.535   1.600
  153    HD2  PHE  18           HD2      PHE  18  -2.497  -6.709  -0.782
  154    HE1  PHE  18           HE1      PHE  18   2.154  -5.729   0.513
  155    HE2  PHE  18           HE2      PHE  18  -0.654  -7.901  -1.864
  156    HZ   PHE  18           HZ       PHE  18   1.778  -7.340  -1.089
  157    H    VAL  19           HN       VAL  19  -5.060  -5.450   2.658
  158    HA   VAL  19           HA       VAL  19  -5.844  -2.912   3.610
  159    HB   VAL  19           HB       VAL  19  -7.231  -5.599   3.704
  160   1HG1  VAL  19          2HG1      VAL  19  -8.080  -4.207   5.525
  161   2HG1  VAL  19          1HG1      VAL  19  -8.402  -2.907   4.377
  162   3HG1  VAL  19          3HG1      VAL  19  -9.287  -4.427   4.257
  163   1HG2  VAL  19          1HG2      VAL  19  -7.629  -3.165   1.972
  164   2HG2  VAL  19          3HG2      VAL  19  -6.889  -4.690   1.480
  165   3HG2  VAL  19          2HG2      VAL  19  -8.598  -4.638   1.911
  166    H    GLY  20           HN       GLY  20  -5.476  -5.994   5.345
  167   1HA   GLY  20           HA1      GLY  20  -4.955  -6.427   7.534
  168   2HA   GLY  20           HA2      GLY  20  -5.841  -4.963   7.929
  169    H    ARG  21           HN       ARG  21  -3.277  -4.467   5.770
  170    HA   ARG  21           HA       ARG  21  -1.414  -3.766   7.900
  171   1HB   ARG  21           HB2      ARG  21  -0.082  -4.839   6.411
  172   2HB   ARG  21           HB1      ARG  21  -1.157  -4.538   5.063
  173   1HG   ARG  21           HG2      ARG  21   0.660  -3.318   4.425
  174   2HG   ARG  21           HG1      ARG  21  -0.241  -2.083   5.297
  175   1HD   ARG  21           HD2      ARG  21   2.157  -3.638   6.251
  176   2HD   ARG  21           HD1      ARG  21   2.043  -1.923   5.945
  177    HE   ARG  21           HE       ARG  21   0.453  -1.871   7.884
  178   1HH1  ARG  21          1HH1      ARG  21   2.882  -4.368   7.580
  179   2HH1  ARG  21          2HH1      ARG  21   3.063  -4.589   9.293
  180   1HH2  ARG  21          1HH2      ARG  21   0.727  -2.133  10.157
  181   2HH2  ARG  21          2HH2      ARG  21   1.863  -3.297  10.750
  182    H    ILE  22           HN       ILE  22  -3.145  -2.345   5.180
  183    HA   ILE  22           HA       ILE  22  -1.838   0.201   5.345
  184    HB   ILE  22           HB       ILE  22  -4.304  -0.760   3.896
  185   1HG1  ILE  22          2HG1      ILE  22  -2.419  -1.694   2.864
  186   2HG1  ILE  22          1HG1      ILE  22  -2.788  -0.278   1.886
  187   1HG2  ILE  22          2HG2      ILE  22  -3.051   1.970   3.819
  188   2HG2  ILE  22          1HG2      ILE  22  -4.222   1.376   2.639
  189   3HG2  ILE  22          3HG2      ILE  22  -4.687   1.542   4.333
  190   1HD1  ILE  22          3HD1      ILE  22  -1.041   0.941   3.219
  191   2HD1  ILE  22          2HD1      ILE  22  -0.583  -0.626   3.887
  192   3HD1  ILE  22          1HD1      ILE  22  -0.454  -0.337   2.153
  193    H    LEU  23           HN       LEU  23  -5.152  -0.892   6.007
  194    HA   LEU  23           HA       LEU  23  -5.553   1.550   7.559
  195   1HB   LEU  23           HB2      LEU  23  -8.004   0.932   7.328
  196   2HB   LEU  23           HB1      LEU  23  -7.166   1.459   5.881
  197    HG   LEU  23           HG       LEU  23  -6.813  -1.115   5.517
  198   1HD1  LEU  23          3HD1      LEU  23  -9.243  -1.029   7.280
  199   2HD1  LEU  23          2HD1      LEU  23  -8.734  -2.410   6.308
  200   3HD1  LEU  23          1HD1      LEU  23  -7.712  -1.831   7.625
  201   1HD2  LEU  23          3HD2      LEU  23  -9.410   0.327   5.031
  202   2HD2  LEU  23          2HD2      LEU  23  -7.987   0.313   3.986
  203   3HD2  LEU  23          1HD2      LEU  23  -8.911  -1.168   4.234
  204    H    GLY  24           HN       GLY  24  -5.080  -1.768   7.879
  205   1HA   GLY  24           HA1      GLY  24  -5.088  -3.188   9.666
  206   2HA   GLY  24           HA2      GLY  24  -6.690  -2.543   9.983
  207    HA   PRO  25           HA       PRO  25  -3.858  -0.952  13.335
  208   1HB   PRO  25           HB2      PRO  25  -1.153  -1.111  13.042
  209   2HB   PRO  25           HB1      PRO  25  -2.163  -2.475  13.520
  210   1HG   PRO  25           HG2      PRO  25  -0.734  -2.037  11.025
  211   2HG   PRO  25           HG1      PRO  25  -1.508  -3.510  11.624
  212   1HD   PRO  25           HD2      PRO  25  -2.499  -1.576   9.688
  213   2HD   PRO  25           HD1      PRO  25  -3.147  -3.173  10.106
  214    H    ARG  26           HN       ARG  26  -3.160   0.207  10.213
  215    HA   ARG  26           HA       ARG  26  -2.013   2.704  11.275
  216   1HB   ARG  26           HB2      ARG  26  -1.120   0.914   9.208
  217   2HB   ARG  26           HB1      ARG  26  -1.450   2.496   8.520
  218   1HG   ARG  26           HG2      ARG  26   0.890   2.212   9.211
  219   2HG   ARG  26           HG1      ARG  26   0.084   3.539  10.048
  220   1HD   ARG  26           HD2      ARG  26  -0.041   2.349  12.057
  221   2HD   ARG  26           HD1      ARG  26   0.249   0.800  11.262
  222    HE   ARG  26           HE       ARG  26   2.544   1.332  11.088
  223   1HH1  ARG  26          1HH1      ARG  26   0.729   3.742  12.889
  224   2HH1  ARG  26          2HH1      ARG  26   2.148   4.456  13.595
  225   1HH2  ARG  26          1HH2      ARG  26   4.372   2.237  12.010
  226   2HH2  ARG  26          2HH2      ARG  26   4.224   3.597  13.095
  227    H    GLY  27           HN       GLY  27  -4.898   1.803  10.600
  228   1HA   GLY  27           HA1      GLY  27  -6.789   2.874   9.852
  229   2HA   GLY  27           HA2      GLY  27  -5.898   3.035   8.343
  230    H    LEU  28           HN       LEU  28  -4.855   4.537  11.316
  231    HA   LEU  28           HA       LEU  28  -5.967   7.047  11.172
  232   1HB   LEU  28           HB2      LEU  28  -4.474   6.247  12.965
  233   2HB   LEU  28           HB1      LEU  28  -3.110   6.367  11.872
  234    HG   LEU  28           HG       LEU  28  -3.537   8.833  11.722
  235   1HD1  LEU  28          2HD1      LEU  28  -5.450   8.250  13.978
  236   2HD1  LEU  28          1HD1      LEU  28  -4.928   9.854  13.464
  237   3HD1  LEU  28          3HD1      LEU  28  -5.878   8.843  12.373
  238   1HD2  LEU  28          1HD2      LEU  28  -2.970   7.687  14.453
  239   2HD2  LEU  28          3HD2      LEU  28  -1.798   7.941  13.161
  240   3HD2  LEU  28          2HD2      LEU  28  -2.576   9.324  13.930
  241    H    THR  29           HN       THR  29  -3.208   5.777   9.325
  242    HA   THR  29           HA       THR  29  -2.395   8.283   8.301
  243    HB   THR  29           HB       THR  29  -0.968   6.187   8.368
  244    HG1  THR  29           HG1      THR  29  -1.172   7.746   5.988
  245   1HG2  THR  29          1HG2      THR  29  -2.490   5.570   5.830
  246   2HG2  THR  29          3HG2      THR  29  -1.017   4.757   6.360
  247   3HG2  THR  29          2HG2      THR  29  -2.494   4.612   7.311
  248    H    ALA  30           HN       ALA  30  -4.713   5.894   7.133
  249    HA   ALA  30           HA       ALA  30  -4.981   7.004   4.533
  250   1HB   ALA  30           HB1      ALA  30  -5.737   4.737   5.084
  251   2HB   ALA  30           HB2      ALA  30  -7.035   5.703   4.385
  252   3HB   ALA  30           HB3      ALA  30  -6.991   5.413   6.124
  253    H    LYS  31           HN       LYS  31  -6.678   7.478   7.574
  254    HA   LYS  31           HA       LYS  31  -8.627   9.266   6.543
  255   1HB   LYS  31           HB2      LYS  31  -9.014   7.975   8.578
  256   2HB   LYS  31           HB1      LYS  31  -7.661   8.781   9.365
  257   1HG   LYS  31           HG2      LYS  31  -9.819   9.646  10.117
  258   2HG   LYS  31           HG1      LYS  31  -8.853  10.888   9.320
  259   1HD   LYS  31           HD2      LYS  31 -11.181  11.023   8.613
  260   2HD   LYS  31           HD1      LYS  31 -10.146  10.563   7.262
  261   1HE   LYS  31           HE2      LYS  31 -10.788   8.231   7.548
  262   2HE   LYS  31           HE1      LYS  31 -11.797   8.666   8.927
  263   1HZ   LYS  31           HZ1      LYS  31 -12.187   9.673   6.157
  264   2HZ   LYS  31           HZ3      LYS  31 -13.065   8.404   6.859
  265   3HZ   LYS  31           HZ2      LYS  31 -13.197   9.969   7.491
  266    H    GLN  32           HN       GLN  32  -5.526   9.734   8.226
  267    HA   GLN  32           HA       GLN  32  -5.830  12.537   8.507
  268   1HB   GLN  32           HB2      GLN  32  -3.264  10.942   8.417
  269   2HB   GLN  32           HB1      GLN  32  -3.429  12.593   8.994
  270   1HG   GLN  32           HG2      GLN  32  -4.534  10.090  10.234
  271   2HG   GLN  32           HG1      GLN  32  -3.316  11.180  10.889
  272   1HE2  GLN  32          1HE2      GLN  32  -6.692  10.704  10.262
  273   2HE2  GLN  32          2HE2      GLN  32  -7.283  11.976  11.279
  274    H    LEU  33           HN       LEU  33  -4.598  10.508   5.940
  275    HA   LEU  33           HA       LEU  33  -3.333  12.556   4.453
  276   1HB   LEU  33           HB2      LEU  33  -4.241   9.783   3.930
  277   2HB   LEU  33           HB1      LEU  33  -4.000  10.812   2.531
  278    HG   LEU  33           HG       LEU  33  -1.692  11.075   2.990
  279   1HD1  LEU  33          1HD1      LEU  33  -2.197   9.756   5.653
  280   2HD1  LEU  33          3HD1      LEU  33  -0.607  10.170   5.006
  281   3HD1  LEU  33          2HD1      LEU  33  -1.768  11.446   5.380
  282   1HD2  LEU  33          2HD2      LEU  33  -2.285   8.942   1.981
  283   2HD2  LEU  33          1HD2      LEU  33  -0.877   8.770   3.026
  284   3HD2  LEU  33          3HD2      LEU  33  -2.458   8.220   3.580
  285    H    GLU  34           HN       GLU  34  -6.636  11.194   4.257
  286    HA   GLU  34           HA       GLU  34  -7.309  12.961   2.111
  287   1HB   GLU  34           HB2      GLU  34  -9.713  12.343   2.734
  288   2HB   GLU  34           HB1      GLU  34  -8.655  11.065   2.166
  289   1HG   GLU  34           HG2      GLU  34  -8.356  10.252   4.414
  290   2HG   GLU  34           HG1      GLU  34  -9.263  11.619   5.061
  291    H    ALA  35           HN       ALA  35  -7.563  13.068   5.579
  292    HA   ALA  35           HA       ALA  35  -9.189  15.355   5.770
  293   1HB   ALA  35           HB2      ALA  35  -8.470  15.482   8.083
  294   2HB   ALA  35           HB3      ALA  35  -7.137  14.376   7.750
  295   3HB   ALA  35           HB1      ALA  35  -8.803  13.808   7.640
  296    H    GLU  36           HN       GLU  36  -5.653  14.978   5.638
  297    HA   GLU  36           HA       GLU  36  -5.344  17.863   5.915
  298   1HB   GLU  36           HB2      GLU  36  -3.395  15.588   5.991
  299   2HB   GLU  36           HB1      GLU  36  -2.853  17.253   5.850
  300   1HG   GLU  36           HG2      GLU  36  -4.308  17.662   7.939
  301   2HG   GLU  36           HG1      GLU  36  -4.244  15.907   8.123
  302    H    THR  37           HN       THR  37  -4.441  15.346   3.521
  303    HA   THR  37           HA       THR  37  -3.041  17.269   1.936
  304    HB   THR  37           HB       THR  37  -2.651  15.561   0.322
  305    HG1  THR  37           HG1      THR  37  -4.480  13.847   1.670
  306   1HG2  THR  37          2HG2      THR  37  -1.395  15.330   2.412
  307   2HG2  THR  37          1HG2      THR  37  -2.668  14.304   3.071
  308   3HG2  THR  37          3HG2      THR  37  -1.720  13.756   1.689
  309    H    GLY  38           HN       GLY  38  -6.302  16.304   2.207
  310   1HA   GLY  38           HA1      GLY  38  -7.084  17.957  -0.053
  311   2HA   GLY  38           HA2      GLY  38  -8.166  17.192   1.111
  312    H    CYS  39           HN       CYS  39  -5.952  14.957   0.192
  313    HA   CYS  39           HA       CYS  39  -7.547  13.985  -2.056
  314   1HB   CYS  39           HB2      CYS  39  -5.149  14.046  -2.459
  315   2HB   CYS  39           HB1      CYS  39  -4.850  13.096  -1.002
  316    HG   CYS  39           HG       CYS  39  -6.895  11.683  -3.250
  317    H    LYS  40           HN       LYS  40  -9.090  12.639  -1.626
  318    HA   LYS  40           HA       LYS  40  -9.051  11.061   0.786
  319   1HB   LYS  40           HB2      LYS  40 -11.133  12.071  -0.257
  320   2HB   LYS  40           HB1      LYS  40 -10.973  10.897  -1.553
  321   1HG   LYS  40           HG2      LYS  40 -11.173  10.022   1.306
  322   2HG   LYS  40           HG1      LYS  40 -12.609  10.415   0.364
  323   1HD   LYS  40           HD2      LYS  40 -11.886   8.741  -1.327
  324   2HD   LYS  40           HD1      LYS  40 -10.556   8.294  -0.256
  325   1HE   LYS  40           HE2      LYS  40 -13.481   8.162   0.473
  326   2HE   LYS  40           HE1      LYS  40 -12.518   6.789  -0.070
  327   1HZ   LYS  40           HZ3      LYS  40 -11.689   8.390   2.282
  328   2HZ   LYS  40           HZ2      LYS  40 -12.829   7.138   2.427
  329   3HZ   LYS  40           HZ1      LYS  40 -11.262   6.800   1.868
  330    H    ILE  41           HN       ILE  41  -7.303   9.715   0.617
  331    HA   ILE  41           HA       ILE  41  -6.858   8.198  -1.784
  332    HB   ILE  41           HB       ILE  41  -4.883   8.771  -0.603
  333   1HG1  ILE  41          2HG1      ILE  41  -5.436   5.858  -0.004
  334   2HG1  ILE  41          1HG1      ILE  41  -4.888   6.496  -1.552
  335   1HG2  ILE  41          3HG2      ILE  41  -5.885   9.191   1.594
  336   2HG2  ILE  41          2HG2      ILE  41  -6.049   7.452   1.850
  337   3HG2  ILE  41          1HG2      ILE  41  -4.446   8.176   1.727
  338   1HD1  ILE  41          3HD1      ILE  41  -2.831   7.276  -0.496
  339   2HD1  ILE  41          2HD1      ILE  41  -3.383   6.626   1.049
  340   3HD1  ILE  41          1HD1      ILE  41  -3.050   5.536  -0.298
  341    H    MET  42           HN       MET  42  -8.020   6.519  -2.299
  342    HA   MET  42           HA       MET  42  -9.394   5.058  -0.157
  343   1HB   MET  42           HB2      MET  42 -11.049   4.421  -1.886
  344   2HB   MET  42           HB1      MET  42 -10.967   6.162  -1.654
  345   1HG   MET  42           HG2      MET  42  -9.749   6.453  -3.676
  346   2HG   MET  42           HG1      MET  42  -9.518   4.715  -3.857
  347   1HE   MET  42           HE2      MET  42 -12.105   7.667  -3.933
  348   2HE   MET  42           HE1      MET  42 -13.610   6.822  -4.285
  349   3HE   MET  42           HE3      MET  42 -12.803   6.581  -2.733
  350    H    VAL  43           HN       VAL  43  -8.976   2.955   0.039
  351    HA   VAL  43           HA       VAL  43  -6.996   1.784  -1.680
  352    HB   VAL  43           HB       VAL  43  -8.541   0.107   0.225
  353   1HG1  VAL  43          1HG1      VAL  43  -5.625   0.368  -0.472
  354   2HG1  VAL  43          3HG1      VAL  43  -6.294  -0.819   0.650
  355   3HG1  VAL  43          2HG1      VAL  43  -6.746  -0.863  -1.054
  356   1HG2  VAL  43          3HG2      VAL  43  -6.649   2.295   1.090
  357   2HG2  VAL  43          2HG2      VAL  43  -8.303   2.008   1.633
  358   3HG2  VAL  43          1HG2      VAL  43  -7.024   0.892   2.094
  359    H    ARG  44           HN       ARG  44  -7.575   1.000  -3.598
  360    HA   ARG  44           HA       ARG  44 -10.356   0.163  -3.953
  361   1HB   ARG  44           HB2      ARG  44  -8.220   0.908  -5.939
  362   2HB   ARG  44           HB1      ARG  44  -9.765   0.208  -6.403
  363   1HG   ARG  44           HG2      ARG  44 -10.812   2.152  -5.099
  364   2HG   ARG  44           HG1      ARG  44  -9.203   2.871  -5.171
  365   1HD   ARG  44           HD2      ARG  44  -9.265   3.135  -7.436
  366   2HD   ARG  44           HD1      ARG  44 -10.401   1.808  -7.675
  367    HE   ARG  44           HE       ARG  44 -11.330   4.272  -6.383
  368   1HH1  ARG  44          1HH1      ARG  44 -11.491   1.968  -9.024
  369   2HH1  ARG  44          2HH1      ARG  44 -12.786   2.797  -9.837
  370   1HH2  ARG  44          1HH2      ARG  44 -13.025   5.375  -7.461
  371   2HH2  ARG  44          2HH2      ARG  44 -13.676   4.718  -8.936
  372    H    GLY  45           HN       GLY  45 -10.738  -1.773  -5.287
  373   1HA   GLY  45           HA1      GLY  45  -8.676  -3.787  -4.763
  374   2HA   GLY  45           HA2      GLY  45 -10.056  -3.987  -5.841
  375    H    LYS  46           HN       LYS  46  -9.521  -5.883  -4.013
  376    HA   LYS  46           HA       LYS  46 -11.984  -6.019  -2.602
  377   1HB   LYS  46           HB2      LYS  46  -9.565  -7.829  -2.590
  378   2HB   LYS  46           HB1      LYS  46 -11.133  -8.229  -1.896
  379   1HG   LYS  46           HG2      LYS  46 -12.108  -8.549  -3.919
  380   2HG   LYS  46           HG1      LYS  46 -11.088  -7.348  -4.712
  381   1HD   LYS  46           HD2      LYS  46 -10.048 -10.009  -3.777
  382   2HD   LYS  46           HD1      LYS  46 -10.706  -9.746  -5.394
  383   1HE   LYS  46           HE2      LYS  46  -9.055  -7.876  -5.652
  384   2HE   LYS  46           HE1      LYS  46  -8.327  -8.404  -4.136
  385   1HZ   LYS  46           HZ2      LYS  46  -8.630 -10.118  -6.548
  386   2HZ   LYS  46           HZ1      LYS  46  -7.199  -9.312  -6.119
  387   3HZ   LYS  46           HZ3      LYS  46  -7.826 -10.529  -5.110
  388    H    GLY  47           HN       GLY  47 -12.280  -4.812  -0.780
  389   1HA   GLY  47           HA1      GLY  47 -10.195  -5.180   1.287
  390   2HA   GLY  47           HA2      GLY  47 -11.911  -5.303   1.646
  391    H    SER  48           HN       SER  48 -12.206  -2.943  -0.327
  392    HA   SER  48           HA       SER  48 -10.977  -0.723   0.934
  393   1HB   SER  48           HB2      SER  48 -11.806  -0.726  -1.393
  394   2HB   SER  48           HB1      SER  48 -13.457  -0.870  -0.796
  395    HG   SER  48           HG       SER  48 -11.767   1.262  -0.028
  396    H    MET  49           HN       MET  49 -14.403  -1.643   0.832
  397    HA   MET  49           HA       MET  49 -14.719  -0.692   3.586
  398   1HB   MET  49           HB2      MET  49 -16.511  -0.202   1.220
  399   2HB   MET  49           HB1      MET  49 -17.111  -0.103   2.869
  400   1HG   MET  49           HG2      MET  49 -14.860   1.533   1.724
  401   2HG   MET  49           HG1      MET  49 -16.514   2.088   1.974
  402   1HE   MET  49           HE2      MET  49 -14.046   3.683   3.088
  403   2HE   MET  49           HE1      MET  49 -15.712   4.172   3.396
  404   3HE   MET  49           HE3      MET  49 -14.566   4.056   4.732
  405    H    ARG  50           HN       ARG  50 -14.090  -3.275   2.828
  406    HA   ARG  50           HA       ARG  50 -16.208  -5.015   2.252
  407   1HB   ARG  50           HB2      ARG  50 -13.784  -5.467   1.944
  408   2HB   ARG  50           HB1      ARG  50 -13.613  -5.617   3.684
  409   1HG   ARG  50           HG2      ARG  50 -13.697  -7.794   2.630
  410   2HG   ARG  50           HG1      ARG  50 -15.102  -7.551   3.668
  411   1HD   ARG  50           HD2      ARG  50 -16.362  -6.864   1.605
  412   2HD   ARG  50           HD1      ARG  50 -14.982  -7.410   0.662
  413    HE   ARG  50           HE       ARG  50 -15.388  -9.639   1.808
  414   1HH1  ARG  50          1HH1      ARG  50 -17.975  -7.346   1.194
  415   2HH1  ARG  50          2HH1      ARG  50 -19.209  -8.566   1.124
  416   1HH2  ARG  50          1HH2      ARG  50 -17.038 -11.236   1.709
  417   2HH2  ARG  50          2HH2      ARG  50 -18.679 -10.753   1.402
  418    H    ASP  51           HN       ASP  51 -16.733  -3.231   4.612
  419    HA   ASP  51           HA       ASP  51 -16.972  -4.979   6.891
  420   1HB   ASP  51           HB2      ASP  51 -16.645  -2.462   6.994
  421   2HB   ASP  51           HB1      ASP  51 -18.310  -2.305   6.444
  422    H    LYS  52           HN       LYS  52 -18.892  -5.895   7.651
  423    HA   LYS  52           HA       LYS  52 -20.609  -6.878   5.661
  424   1HB   LYS  52           HB2      LYS  52 -20.086  -8.022   7.805
  425   2HB   LYS  52           HB1      LYS  52 -21.086  -6.843   8.640
  426   1HG   LYS  52           HG2      LYS  52 -23.048  -7.602   7.470
  427   2HG   LYS  52           HG1      LYS  52 -22.079  -8.705   6.491
  428   1HD   LYS  52           HD2      LYS  52 -22.408  -8.842   9.489
  429   2HD   LYS  52           HD1      LYS  52 -23.233  -9.872   8.317
  430   1HE   LYS  52           HE2      LYS  52 -21.049 -10.701   7.545
  431   2HE   LYS  52           HE1      LYS  52 -20.255  -9.708   8.766
  432   1HZ   LYS  52           HZ3      LYS  52 -21.465 -10.949  10.475
  433   2HZ   LYS  52           HZ2      LYS  52 -22.158 -11.931   9.280
  434   3HZ   LYS  52           HZ1      LYS  52 -20.482 -11.964   9.539
  435    H    LYS  53           HN       LYS  53 -20.886  -4.101   7.795
  436    HA   LYS  53           HA       LYS  53 -23.651  -3.696   7.395
  437   1HB   LYS  53           HB2      LYS  53 -23.272  -1.366   8.097
  438   2HB   LYS  53           HB1      LYS  53 -22.526  -2.519   9.191
  439   1HG   LYS  53           HG2      LYS  53 -20.356  -2.022   8.365
  440   2HG   LYS  53           HG1      LYS  53 -21.016  -1.086   7.022
  441   1HD   LYS  53           HD2      LYS  53 -21.822   0.606   8.521
  442   2HD   LYS  53           HD1      LYS  53 -21.391  -0.371   9.924
  443   1HE   LYS  53           HE2      LYS  53 -19.366   0.605   7.922
  444   2HE   LYS  53           HE1      LYS  53 -19.820   1.525   9.356
  445   1HZ   LYS  53           HZ1      LYS  53 -19.114  -0.340  10.727
  446   2HZ   LYS  53           HZ3      LYS  53 -18.650  -1.207   9.348
  447   3HZ   LYS  53           HZ2      LYS  53 -17.837   0.220   9.763
  448    H    LYS  54           HN       LYS  54 -20.802  -2.429   5.679
  449    HA   LYS  54           HA       LYS  54 -22.179  -0.676   3.983
  450   1HB   LYS  54           HB2      LYS  54 -19.529  -1.422   4.370
  451   2HB   LYS  54           HB1      LYS  54 -19.864  -1.878   2.708
  452   1HG   LYS  54           HG2      LYS  54 -19.124   0.268   2.430
  453   2HG   LYS  54           HG1      LYS  54 -20.859   0.535   2.554
  454   1HD   LYS  54           HD2      LYS  54 -20.680   1.227   4.821
  455   2HD   LYS  54           HD1      LYS  54 -19.003   0.686   4.920
  456   1HE   LYS  54           HE2      LYS  54 -18.997   3.069   4.722
  457   2HE   LYS  54           HE1      LYS  54 -18.423   2.395   3.199
  458   1HZ   LYS  54           HZ3      LYS  54 -20.677   2.725   2.299
  459   2HZ   LYS  54           HZ2      LYS  54 -21.140   3.471   3.747
  460   3HZ   LYS  54           HZ1      LYS  54 -19.948   4.174   2.770
  461    H    GLU  55           HN       GLU  55 -21.342  -4.088   3.618
  462    HA   GLU  55           HA       GLU  55 -22.266  -4.242   0.939
  463   1HB   GLU  55           HB2      GLU  55 -22.216  -6.741   1.351
  464   2HB   GLU  55           HB1      GLU  55 -20.697  -5.881   1.567
  465   1HG   GLU  55           HG2      GLU  55 -20.735  -6.101   3.848
  466   2HG   GLU  55           HG1      GLU  55 -22.480  -6.371   3.906
  467    H    GLU  56           HN       GLU  56 -23.881  -4.336   3.975
  468    HA   GLU  56           HA       GLU  56 -26.240  -5.616   3.043
  469   1HB   GLU  56           HB2      GLU  56 -25.714  -3.797   5.376
  470   2HB   GLU  56           HB1      GLU  56 -27.328  -4.387   5.006
  471   1HG   GLU  56           HG2      GLU  56 -26.212  -6.720   5.047
  472   2HG   GLU  56           HG1      GLU  56 -24.927  -5.898   5.929
  473    H    GLN  57           HN       GLN  57 -25.657  -2.106   3.650
  474    HA   GLN  57           HA       GLN  57 -27.973  -1.636   1.882
  475   1HB   GLN  57           HB2      GLN  57 -28.268   0.533   2.930
  476   2HB   GLN  57           HB1      GLN  57 -28.240  -0.730   4.146
  477   1HG   GLN  57           HG2      GLN  57 -25.866   0.985   3.471
  478   2HG   GLN  57           HG1      GLN  57 -27.022   1.357   4.745
  479   1HE2  GLN  57          1HE2      GLN  57 -24.126   0.712   4.795
  480   2HE2  GLN  57          2HE2      GLN  57 -23.976  -0.663   5.848
  481    H    ASN  58           HN       ASN  58 -24.629  -0.644   2.404
  482    HA   ASN  58           HA       ASN  58 -24.694   1.155   0.138
  483   1HB   ASN  58           HB2      ASN  58 -22.326   0.227   1.771
  484   2HB   ASN  58           HB1      ASN  58 -22.319   1.529   0.585
  485   1HD2  ASN  58          1HD2      ASN  58 -23.453   3.465   1.063
  486   2HD2  ASN  58          2HD2      ASN  58 -23.797   3.894   2.707
  487    H    ARG  59           HN       ARG  59 -24.836  -2.013   0.308
  488    HA   ARG  59           HA       ARG  59 -23.055  -3.169  -1.382
  489   1HB   ARG  59           HB2      ARG  59 -24.869  -4.641  -2.151
  490   2HB   ARG  59           HB1      ARG  59 -24.899  -4.408  -0.410
  491   1HG   ARG  59           HG2      ARG  59 -26.693  -2.732  -0.712
  492   2HG   ARG  59           HG1      ARG  59 -26.698  -3.102  -2.437
  493   1HD   ARG  59           HD2      ARG  59 -27.316  -5.400  -1.976
  494   2HD   ARG  59           HD1      ARG  59 -27.203  -5.113  -0.242
  495    HE   ARG  59           HE       ARG  59 -29.120  -3.520  -1.774
  496   1HH1  ARG  59          1HH1      ARG  59 -28.514  -6.077   0.544
  497   2HH1  ARG  59          2HH1      ARG  59 -30.173  -6.191   1.045
  498   1HH2  ARG  59          1HH2      ARG  59 -31.305  -3.671  -1.105
  499   2HH2  ARG  59          2HH2      ARG  59 -31.759  -4.839   0.095
  500    H    GLY  60           HN       GLY  60 -22.530  -3.078  -3.491
  501   1HA   GLY  60           HA1      GLY  60 -24.307  -1.832  -5.430
  502   2HA   GLY  60           HA2      GLY  60 -22.801  -2.668  -5.780
  503    H    LYS  61           HN       LYS  61 -22.366  -0.450  -3.299
  504    HA   LYS  61           HA       LYS  61 -21.953   1.851  -4.994
  505   1HB   LYS  61           HB2      LYS  61 -21.764   1.389  -2.035
  506   2HB   LYS  61           HB1      LYS  61 -21.127   2.859  -2.758
  507   1HG   LYS  61           HG2      LYS  61 -23.353   3.256  -1.914
  508   2HG   LYS  61           HG1      LYS  61 -23.361   3.354  -3.674
  509   1HD   LYS  61           HD2      LYS  61 -24.272   1.103  -3.808
  510   2HD   LYS  61           HD1      LYS  61 -24.214   0.957  -2.052
  511   1HE   LYS  61           HE2      LYS  61 -25.800   2.837  -1.877
  512   2HE   LYS  61           HE1      LYS  61 -25.891   2.898  -3.638
  513   1HZ   LYS  61           HZ3      LYS  61 -26.632   0.558  -1.968
  514   2HZ   LYS  61           HZ2      LYS  61 -27.728   1.637  -2.666
  515   3HZ   LYS  61           HZ1      LYS  61 -26.762   0.653  -3.654
  516    HA   PRO  62           HA       PRO  62 -17.664   2.405  -6.020
  517   1HB   PRO  62           HB2      PRO  62 -17.470   3.626  -3.276
  518   2HB   PRO  62           HB1      PRO  62 -16.650   4.100  -4.763
  519   1HG   PRO  62           HG2      PRO  62 -18.936   5.284  -3.944
  520   2HG   PRO  62           HG1      PRO  62 -18.540   5.074  -5.659
  521   1HD   PRO  62           HD2      PRO  62 -20.665   3.829  -4.131
  522   2HD   PRO  62           HD1      PRO  62 -20.343   3.720  -5.874
  523    H    ASN  63           HN       ASN  63 -18.168   1.296  -2.717
  524    HA   ASN  63           HA       ASN  63 -15.525   0.349  -2.274
  525   1HB   ASN  63           HB2      ASN  63 -17.658  -1.058  -0.836
  526   2HB   ASN  63           HB1      ASN  63 -16.307  -0.104  -0.224
  527   1HD2  ASN  63          1HD2      ASN  63 -19.602   0.017  -1.352
  528   2HD2  ASN  63          2HD2      ASN  63 -19.979   1.565  -0.676
  529    H    TRP  64           HN       TRP  64 -18.486  -1.097  -3.448
  530    HA   TRP  64           HA       TRP  64 -17.187  -3.653  -3.883
  531   1HB   TRP  64           HB2      TRP  64 -19.983  -2.941  -4.698
  532   2HB   TRP  64           HB1      TRP  64 -19.330  -4.522  -4.250
  533    HD1  TRP  64           HD1      TRP  64 -21.329  -1.837  -2.813
  534    HE1  TRP  64           HE1      TRP  64 -21.377  -1.946  -0.249
  535    HE3  TRP  64           HE3      TRP  64 -17.539  -5.150  -2.127
  536    HZ2  TRP  64           HZ2      TRP  64 -19.959  -3.296   1.809
  537    HZ3  TRP  64           HZ3      TRP  64 -16.932  -5.797   0.152
  538    HH2  TRP  64           HH2      TRP  64 -18.115  -4.892   2.087
  539    H    GLU  65           HN       GLU  65 -18.208  -0.789  -5.481
  540    HA   GLU  65           HA       GLU  65 -18.198  -1.516  -8.133
  541   1HB   GLU  65           HB2      GLU  65 -18.852   0.678  -7.610
  542   2HB   GLU  65           HB1      GLU  65 -17.360   0.997  -6.736
  543   1HG   GLU  65           HG2      GLU  65 -16.106   1.073  -8.760
  544   2HG   GLU  65           HG1      GLU  65 -17.495   0.531  -9.699
  545    H    HIS  66           HN       HIS  66 -15.452  -0.484  -6.143
  546    HA   HIS  66           HA       HIS  66 -13.663  -1.511  -8.206
  547   1HB   HIS  66           HB2      HIS  66 -11.825  -0.489  -6.829
  548   2HB   HIS  66           HB1      HIS  66 -12.982   0.649  -7.507
  549    HD1  HIS  66           HD1      HIS  66 -13.545   2.442  -5.906
  550    HD2  HIS  66           HD2      HIS  66 -12.751  -1.164  -4.002
  551    HE1  HIS  66           HE1      HIS  66 -13.600   2.960  -3.446
  552    HE2  HIS  66           HE2      HIS  66 -12.926   0.814  -2.314
  553    H    LEU  67           HN       LEU  67 -15.252  -2.795  -5.682
  554    HA   LEU  67           HA       LEU  67 -13.267  -4.345  -4.366
  555   1HB   LEU  67           HB2      LEU  67 -15.921  -3.941  -3.990
  556   2HB   LEU  67           HB1      LEU  67 -15.959  -5.515  -4.748
  557    HG   LEU  67           HG       LEU  67 -16.033  -5.633  -2.295
  558   1HD1  LEU  67          1HD1      LEU  67 -13.522  -6.792  -3.474
  559   2HD1  LEU  67          3HD1      LEU  67 -14.293  -7.306  -1.973
  560   3HD1  LEU  67          2HD1      LEU  67 -15.129  -7.517  -3.511
  561   1HD2  LEU  67          1HD2      LEU  67 -13.286  -4.414  -2.432
  562   2HD2  LEU  67          3HD2      LEU  67 -14.734  -3.684  -1.739
  563   3HD2  LEU  67          2HD2      LEU  67 -14.022  -5.113  -0.990
  564    H    ASN  68           HN       ASN  68 -14.618  -4.422  -7.457
  565    HA   ASN  68           HA       ASN  68 -13.910  -7.232  -7.887
  566   1HB   ASN  68           HB2      ASN  68 -14.779  -6.630 -10.301
  567   2HB   ASN  68           HB1      ASN  68 -15.912  -6.937  -8.985
  568   1HD2  ASN  68          1HD2      ASN  68 -17.067  -5.271  -8.120
  569   2HD2  ASN  68          2HD2      ASN  68 -17.186  -3.704  -8.834
  570    H    GLU  69           HN       GLU  69 -12.343  -4.403  -7.835
  571    HA   GLU  69           HA       GLU  69 -10.442  -5.076  -9.945
  572   1HB   GLU  69           HB2      GLU  69 -10.525  -2.834  -7.914
  573   2HB   GLU  69           HB1      GLU  69  -9.181  -3.087  -9.017
  574   1HG   GLU  69           HG2      GLU  69 -10.750  -2.801 -10.914
  575   2HG   GLU  69           HG1      GLU  69 -12.018  -2.409  -9.752
  576    H    ASP  70           HN       ASP  70  -8.059  -5.044  -9.205
  577    HA   ASP  70           HA       ASP  70  -7.842  -6.787  -6.874
  578   1HB   ASP  70           HB2      ASP  70  -6.658  -7.278  -9.112
  579   2HB   ASP  70           HB1      ASP  70  -5.528  -6.010  -8.638
  580    H    LEU  71           HN       LEU  71  -6.450  -6.329  -5.142
  581    HA   LEU  71           HA       LEU  71  -7.017  -3.840  -4.075
  582   1HB   LEU  71           HB2      LEU  71  -6.474  -5.947  -2.825
  583   2HB   LEU  71           HB1      LEU  71  -4.781  -5.652  -3.177
  584    HG   LEU  71           HG       LEU  71  -4.740  -3.690  -1.843
  585   1HD1  LEU  71          3HD1      LEU  71  -7.736  -3.986  -1.770
  586   2HD1  LEU  71          2HD1      LEU  71  -6.832  -2.896  -0.711
  587   3HD1  LEU  71          1HD1      LEU  71  -6.792  -2.666  -2.462
  588   1HD2  LEU  71          1HD2      LEU  71  -6.362  -5.811  -0.438
  589   2HD2  LEU  71          3HD2      LEU  71  -4.607  -5.787  -0.601
  590   3HD2  LEU  71          2HD2      LEU  71  -5.421  -4.544   0.351
  591    H    HIS  72           HN       HIS  72  -6.253  -1.939  -4.545
  592    HA   HIS  72           HA       HIS  72  -3.384  -1.528  -4.521
  593   1HB   HIS  72           HB2      HIS  72  -3.409  -0.110  -6.522
  594   2HB   HIS  72           HB1      HIS  72  -3.828  -1.773  -6.902
  595    HD1  HIS  72           HD1      HIS  72  -6.303  -2.262  -7.560
  596    HD2  HIS  72           HD2      HIS  72  -5.392   1.771  -7.087
  597    HE1  HIS  72           HE1      HIS  72  -8.166  -1.011  -8.689
  598    HE2  HIS  72           HE2      HIS  72  -7.495   1.410  -8.567
  599    H    VAL  73           HN       VAL  73  -2.856   0.762  -4.145
  600    HA   VAL  73           HA       VAL  73  -5.049   2.049  -2.675
  601    HB   VAL  73           HB       VAL  73  -3.294   3.535  -1.718
  602   1HG1  VAL  73          3HG1      VAL  73  -4.036   1.541  -0.522
  603   2HG1  VAL  73          2HG1      VAL  73  -2.799   0.583  -1.334
  604   3HG1  VAL  73          1HG1      VAL  73  -2.330   1.865  -0.217
  605   1HG2  VAL  73          3HG2      VAL  73  -1.379   1.696  -3.151
  606   2HG2  VAL  73          2HG2      VAL  73  -1.638   3.406  -3.494
  607   3HG2  VAL  73          1HG2      VAL  73  -0.933   2.913  -1.955
  608    H    LEU  74           HN       LEU  74  -5.876   3.981  -3.290
  609    HA   LEU  74           HA       LEU  74  -4.652   5.246  -5.636
  610   1HB   LEU  74           HB2      LEU  74  -6.588   3.860  -6.307
  611   2HB   LEU  74           HB1      LEU  74  -7.605   4.777  -5.226
  612    HG   LEU  74           HG       LEU  74  -6.124   6.235  -7.378
  613   1HD1  LEU  74          3HD1      LEU  74  -8.673   4.681  -7.787
  614   2HD1  LEU  74          2HD1      LEU  74  -7.981   5.838  -8.923
  615   3HD1  LEU  74          1HD1      LEU  74  -7.118   4.343  -8.547
  616   1HD2  LEU  74          2HD2      LEU  74  -8.840   6.558  -6.108
  617   2HD2  LEU  74          1HD2      LEU  74  -7.395   7.491  -5.720
  618   3HD2  LEU  74          3HD2      LEU  74  -8.133   7.631  -7.316
  619    H    ILE  75           HN       ILE  75  -4.110   7.195  -5.225
  620    HA   ILE  75           HA       ILE  75  -5.524   8.699  -3.185
  621    HB   ILE  75           HB       ILE  75  -3.844  10.530  -4.021
  622   1HG1  ILE  75          2HG1      ILE  75  -2.453   8.010  -4.932
  623   2HG1  ILE  75          1HG1      ILE  75  -3.134   9.229  -6.005
  624   1HG2  ILE  75          2HG2      ILE  75  -3.850   9.433  -1.817
  625   2HG2  ILE  75          1HG2      ILE  75  -2.834   8.155  -2.483
  626   3HG2  ILE  75          3HG2      ILE  75  -2.228   9.812  -2.401
  627   1HD1  ILE  75          2HD1      ILE  75  -1.581  10.878  -5.106
  628   2HD1  ILE  75          1HD1      ILE  75  -0.892   9.643  -4.049
  629   3HD1  ILE  75          3HD1      ILE  75  -0.744   9.485  -5.800
  630    H    THR  76           HN       THR  76  -7.390   9.449  -3.785
  631    HA   THR  76           HA       THR  76  -7.780  10.570  -6.464
  632    HB   THR  76           HB       THR  76 -10.085  10.775  -4.755
  633    HG1  THR  76           HG1      THR  76  -9.381   9.051  -3.560
  634   1HG2  THR  76          1HG2      THR  76  -9.507   9.055  -7.152
  635   2HG2  THR  76          3HG2      THR  76 -11.103   9.373  -6.476
  636   3HG2  THR  76          2HG2      THR  76 -10.164  10.691  -7.177
  637    H    VAL  77           HN       VAL  77  -7.077  12.678  -6.518
  638    HA   VAL  77           HA       VAL  77  -7.990  14.398  -4.308
  639    HB   VAL  77           HB       VAL  77  -5.535  14.167  -4.344
  640   1HG1  VAL  77          2HG1      VAL  77  -5.696  15.441  -7.062
  641   2HG1  VAL  77          1HG1      VAL  77  -4.220  15.186  -6.130
  642   3HG1  VAL  77          3HG1      VAL  77  -5.156  13.803  -6.695
  643   1HG2  VAL  77          2HG2      VAL  77  -6.590  16.210  -3.508
  644   2HG2  VAL  77          1HG2      VAL  77  -5.000  16.509  -4.209
  645   3HG2  VAL  77          3HG2      VAL  77  -6.456  16.926  -5.115
  646    H    GLU  78           HN       GLU  78  -9.520  15.774  -4.863
  647    HA   GLU  78           HA       GLU  78 -10.067  16.423  -7.624
  648   1HB   GLU  78           HB2      GLU  78 -11.258  17.266  -4.979
  649   2HB   GLU  78           HB1      GLU  78 -11.742  18.033  -6.484
  650   1HG   GLU  78           HG2      GLU  78 -11.820  15.082  -6.402
  651   2HG   GLU  78           HG1      GLU  78 -13.010  15.943  -5.426
  652    H    ASP  79           HN       ASP  79  -8.232  17.529  -8.345
  653    HA   ASP  79           HA       ASP  79  -8.054  20.265  -8.208
  654   1HB   ASP  79           HB2      ASP  79  -7.409  19.696  -5.754
  655   2HB   ASP  79           HB1      ASP  79  -5.891  19.125  -6.439
  656    H    ALA  80           HN       ALA  80  -6.736  20.861  -9.879
  657    HA   ALA  80           HA       ALA  80  -5.132  18.724 -11.088
  658   1HB   ALA  80           HB3      ALA  80  -6.850  19.740 -12.482
  659   2HB   ALA  80           HB2      ALA  80  -6.104  21.324 -12.265
  660   3HB   ALA  80           HB1      ALA  80  -5.243  20.052 -13.134
  661    H    GLN  81           HN       GLN  81  -4.263  20.560  -8.806
  662    HA   GLN  81           HA       GLN  81  -2.003  21.867 -10.164
  663   1HB   GLN  81           HB2      GLN  81  -3.396  22.534  -7.580
  664   2HB   GLN  81           HB1      GLN  81  -1.883  23.278  -8.082
  665   1HG   GLN  81           HG2      GLN  81  -2.873  24.402  -9.850
  666   2HG   GLN  81           HG1      GLN  81  -4.271  23.328  -9.875
  667   1HE2  GLN  81          1HE2      GLN  81  -4.707  23.375  -7.048
  668   2HE2  GLN  81          2HE2      GLN  81  -5.354  24.941  -6.668
  669    H    ASN  82           HN       ASN  82   0.014  21.972  -9.077
  670    HA   ASN  82           HA       ASN  82   0.918  19.405  -8.371
  671   1HB   ASN  82           HB2      ASN  82   2.234  22.114  -8.281
  672   2HB   ASN  82           HB1      ASN  82   3.079  20.645  -7.807
  673   1HD2  ASN  82          1HD2      ASN  82   1.651  22.414 -10.448
  674   2HD2  ASN  82          2HD2      ASN  82   2.375  21.481 -11.718
  675    H    ARG  83           HN       ARG  83   0.362  22.315  -6.394
  676    HA   ARG  83           HA       ARG  83   1.389  21.561  -3.976
  677   1HB   ARG  83           HB2      ARG  83  -1.062  23.103  -4.707
  678   2HB   ARG  83           HB1      ARG  83  -0.799  22.681  -3.021
  679   1HG   ARG  83           HG2      ARG  83   1.386  23.808  -3.112
  680   2HG   ARG  83           HG1      ARG  83   1.036  24.291  -4.775
  681   1HD   ARG  83           HD2      ARG  83   0.544  26.066  -3.125
  682   2HD   ARG  83           HD1      ARG  83  -0.870  25.570  -4.056
  683    HE   ARG  83           HE       ARG  83  -1.628  24.345  -2.111
  684   1HH1  ARG  83          1HH1      ARG  83   1.017  26.576  -1.588
  685   2HH1  ARG  83          2HH1      ARG  83   0.677  26.792   0.106
  686   1HH2  ARG  83          1HH2      ARG  83  -2.081  24.612   0.112
  687   2HH2  ARG  83          2HH2      ARG  83  -1.088  25.675   1.076
  688    H    ALA  84           HN       ALA  84  -1.858  20.774  -5.152
  689    HA   ALA  84           HA       ALA  84  -2.636  19.308  -2.914
  690   1HB   ALA  84           HB3      ALA  84  -3.649  18.938  -5.729
  691   2HB   ALA  84           HB2      ALA  84  -4.483  18.527  -4.232
  692   3HB   ALA  84           HB1      ALA  84  -4.189  20.216  -4.636
  693    H    GLU  85           HN       GLU  85  -1.745  18.044  -6.129
  694    HA   GLU  85           HA       GLU  85  -1.895  15.378  -5.301
  695   1HB   GLU  85           HB2      GLU  85  -0.727  14.813  -7.369
  696   2HB   GLU  85           HB1      GLU  85  -2.002  15.987  -7.646
  697   1HG   GLU  85           HG2      GLU  85  -0.400  17.777  -7.781
  698   2HG   GLU  85           HG1      GLU  85   0.914  16.670  -7.390
  699    H    LEU  86           HN       LEU  86   0.753  17.655  -5.189
  700    HA   LEU  86           HA       LEU  86   2.878  15.895  -4.680
  701   1HB   LEU  86           HB2      LEU  86   2.989  18.372  -5.167
  702   2HB   LEU  86           HB1      LEU  86   2.515  18.645  -3.508
  703    HG   LEU  86           HG       LEU  86   4.552  17.457  -2.746
  704   1HD1  LEU  86          2HD1      LEU  86   4.901  16.063  -4.722
  705   2HD1  LEU  86          1HD1      LEU  86   5.286  17.498  -5.671
  706   3HD1  LEU  86          3HD1      LEU  86   6.337  17.011  -4.340
  707   1HD2  LEU  86          3HD2      LEU  86   4.482  19.899  -2.947
  708   2HD2  LEU  86          2HD2      LEU  86   6.092  19.257  -3.274
  709   3HD2  LEU  86          1HD2      LEU  86   5.061  19.772  -4.609
  710    H    LYS  87           HN       LYS  87   0.437  17.290  -2.595
  711    HA   LYS  87           HA       LYS  87   1.728  16.651  -0.137
  712   1HB   LYS  87           HB2      LYS  87  -0.133  18.396  -0.735
  713   2HB   LYS  87           HB1      LYS  87  -1.233  17.066  -0.416
  714   1HG   LYS  87           HG2      LYS  87  -0.659  16.985   1.845
  715   2HG   LYS  87           HG1      LYS  87   0.831  17.903   1.591
  716   1HD   LYS  87           HD2      LYS  87  -0.540  19.866   0.953
  717   2HD   LYS  87           HD1      LYS  87  -1.992  18.944   1.338
  718   1HE   LYS  87           HE2      LYS  87   0.207  19.478   3.325
  719   2HE   LYS  87           HE1      LYS  87  -1.190  20.534   3.120
  720   1HZ   LYS  87           HZ3      LYS  87  -2.606  18.593   3.615
  721   2HZ   LYS  87           HZ2      LYS  87  -1.215  17.689   3.973
  722   3HZ   LYS  87           HZ1      LYS  87  -1.611  19.046   4.910
  723    H    LEU  88           HN       LEU  88  -0.898  15.148  -1.998
  724    HA   LEU  88           HA       LEU  88  -1.206  12.949  -0.200
  725   1HB   LEU  88           HB2      LEU  88  -2.336  11.896  -2.292
  726   2HB   LEU  88           HB1      LEU  88  -3.089  13.226  -1.429
  727    HG   LEU  88           HG       LEU  88  -1.351  14.064  -3.639
  728   1HD1  LEU  88          3HD1      LEU  88  -3.918  12.581  -4.146
  729   2HD1  LEU  88          2HD1      LEU  88  -3.014  13.515  -5.338
  730   3HD1  LEU  88          1HD1      LEU  88  -2.305  12.062  -4.633
  731   1HD2  LEU  88          1HD2      LEU  88  -4.176  14.682  -2.807
  732   2HD2  LEU  88          3HD2      LEU  88  -2.738  15.588  -2.344
  733   3HD2  LEU  88          2HD2      LEU  88  -3.246  15.544  -4.032
  734    H    LYS  89           HN       LYS  89   0.726  13.411  -3.144
  735    HA   LYS  89           HA       LYS  89   1.373  10.665  -3.383
  736   1HB   LYS  89           HB2      LYS  89   3.082  11.324  -4.985
  737   2HB   LYS  89           HB1      LYS  89   1.553  12.118  -5.307
  738   1HG   LYS  89           HG2      LYS  89   2.959  13.859  -5.627
  739   2HG   LYS  89           HG1      LYS  89   2.662  14.052  -3.899
  740   1HD   LYS  89           HD2      LYS  89   5.028  14.276  -4.391
  741   2HD   LYS  89           HD1      LYS  89   4.740  12.833  -3.419
  742   1HE   LYS  89           HE2      LYS  89   4.909  11.426  -5.375
  743   2HE   LYS  89           HE1      LYS  89   5.049  12.840  -6.419
  744   1HZ   LYS  89           HZ3      LYS  89   6.996  12.269  -4.263
  745   2HZ   LYS  89           HZ2      LYS  89   7.180  11.647  -5.829
  746   3HZ   LYS  89           HZ1      LYS  89   7.168  13.327  -5.579
  747    H    ARG  90           HN       ARG  90   2.925  13.292  -1.615
  748    HA   ARG  90           HA       ARG  90   5.217  11.757  -0.929
  749   1HB   ARG  90           HB2      ARG  90   5.706  13.421   0.742
  750   2HB   ARG  90           HB1      ARG  90   5.158  14.231  -0.717
  751   1HG   ARG  90           HG2      ARG  90   3.015  14.663   0.262
  752   2HG   ARG  90           HG1      ARG  90   3.417  13.682   1.672
  753   1HD   ARG  90           HD2      ARG  90   3.659  15.977   2.275
  754   2HD   ARG  90           HD1      ARG  90   5.268  15.267   2.168
  755    HE   ARG  90           HE       ARG  90   4.067  17.082   0.172
  756   1HH1  ARG  90          1HH1      ARG  90   6.878  15.568   1.634
  757   2HH1  ARG  90          2HH1      ARG  90   8.006  16.625   0.832
  758   1HH2  ARG  90          1HH2      ARG  90   5.564  18.449  -0.889
  759   2HH2  ARG  90          2HH2      ARG  90   7.267  18.241  -0.600
  760    H    ALA  91           HN       ALA  91   2.106  12.330   0.645
  761    HA   ALA  91           HA       ALA  91   2.602  10.796   2.962
  762   1HB   ALA  91           HB1      ALA  91  -0.030  11.372   1.607
  763   2HB   ALA  91           HB3      ALA  91   0.200  10.870   3.283
  764   3HB   ALA  91           HB2      ALA  91   0.789  12.444   2.745
  765    H    VAL  92           HN       VAL  92   1.038  10.012  -0.118
  766    HA   VAL  92           HA       VAL  92   0.454   7.336   0.500
  767    HB   VAL  92           HB       VAL  92  -0.401   8.851  -1.444
  768   1HG1  VAL  92          2HG1      VAL  92   1.989   7.534  -2.725
  769   2HG1  VAL  92          1HG1      VAL  92   0.663   8.293  -3.611
  770   3HG1  VAL  92          3HG1      VAL  92   1.687   9.264  -2.552
  771   1HG2  VAL  92          3HG2      VAL  92   0.126   5.898  -1.754
  772   2HG2  VAL  92          2HG2      VAL  92  -1.274   6.660  -0.998
  773   3HG2  VAL  92          1HG2      VAL  92  -1.009   6.827  -2.733
  774    H    GLU  93           HN       GLU  93   3.379   8.891  -0.647
  775    HA   GLU  93           HA       GLU  93   4.746   6.523  -1.342
  776   1HB   GLU  93           HB2      GLU  93   5.473   9.319  -0.796
  777   2HB   GLU  93           HB1      GLU  93   6.746   8.142  -0.507
  778   1HG   GLU  93           HG2      GLU  93   5.176   8.260  -3.060
  779   2HG   GLU  93           HG1      GLU  93   6.672   9.162  -2.809
  780    H    GLU  94           HN       GLU  94   4.167   8.097   1.748
  781    HA   GLU  94           HA       GLU  94   5.844   6.322   3.200
  782   1HB   GLU  94           HB2      GLU  94   3.389   7.763   4.212
  783   2HB   GLU  94           HB1      GLU  94   4.690   7.094   5.190
  784   1HG   GLU  94           HG2      GLU  94   6.218   8.667   3.843
  785   2HG   GLU  94           HG1      GLU  94   4.725   9.489   3.397
  786    H    VAL  95           HN       VAL  95   2.528   6.078   2.007
  787    HA   VAL  95           HA       VAL  95   2.105   3.533   3.245
  788    HB   VAL  95           HB       VAL  95   0.334   5.110   1.988
  789   1HG1  VAL  95          2HG1      VAL  95   1.182   4.647  -0.264
  790   2HG1  VAL  95          1HG1      VAL  95   0.913   2.923   0.002
  791   3HG1  VAL  95          3HG1      VAL  95  -0.458   4.032  -0.046
  792   1HG2  VAL  95          2HG2      VAL  95   0.225   2.115   2.290
  793   2HG2  VAL  95          1HG2      VAL  95  -0.204   3.322   3.513
  794   3HG2  VAL  95          3HG2      VAL  95  -1.184   3.159   2.052
  795    H    LYS  96           HN       LYS  96   3.635   4.609   0.299
  796    HA   LYS  96           HA       LYS  96   4.066   2.191  -0.984
  797   1HB   LYS  96           HB2      LYS  96   5.960   4.499  -0.617
  798   2HB   LYS  96           HB1      LYS  96   6.312   3.124  -1.652
  799   1HG   LYS  96           HG2      LYS  96   3.964   4.973  -1.958
  800   2HG   LYS  96           HG1      LYS  96   5.459   5.041  -2.895
  801   1HD   LYS  96           HD2      LYS  96   4.988   2.631  -3.530
  802   2HD   LYS  96           HD1      LYS  96   3.370   2.890  -2.869
  803   1HE   LYS  96           HE2      LYS  96   3.356   3.270  -5.254
  804   2HE   LYS  96           HE1      LYS  96   3.065   4.781  -4.391
  805   1HZ   LYS  96           HZ3      LYS  96   5.419   5.353  -4.710
  806   2HZ   LYS  96           HZ2      LYS  96   5.651   3.918  -5.585
  807   3HZ   LYS  96           HZ1      LYS  96   4.627   5.122  -6.192
  808    H    LYS  97           HN       LYS  97   5.613   3.479   1.901
  809    HA   LYS  97           HA       LYS  97   7.402   1.262   2.228
  810   1HB   LYS  97           HB2      LYS  97   7.983   3.345   3.273
  811   2HB   LYS  97           HB1      LYS  97   6.441   3.419   4.112
  812   1HG   LYS  97           HG2      LYS  97   8.247   2.807   5.620
  813   2HG   LYS  97           HG1      LYS  97   7.065   1.507   5.473
  814   1HD   LYS  97           HD2      LYS  97   8.547   0.397   3.835
  815   2HD   LYS  97           HD1      LYS  97   9.747   1.664   4.100
  816   1HE   LYS  97           HE2      LYS  97   8.665  -0.195   6.216
  817   2HE   LYS  97           HE1      LYS  97  10.221  -0.370   5.407
  818   1HZ   LYS  97           HZ2      LYS  97  10.837   1.827   6.306
  819   2HZ   LYS  97           HZ1      LYS  97   9.384   1.869   7.180
  820   3HZ   LYS  97           HZ3      LYS  97  10.546   0.676   7.516
  821    H    LEU  98           HN       LEU  98   4.157   2.058   3.261
  822    HA   LEU  98           HA       LEU  98   3.937  -0.033   5.204
  823   1HB   LEU  98           HB2      LEU  98   2.631   2.209   4.975
  824   2HB   LEU  98           HB1      LEU  98   1.597   1.294   3.894
  825    HG   LEU  98           HG       LEU  98   1.142  -0.304   5.733
  826   1HD1  LEU  98          3HD1      LEU  98   3.192   0.040   7.015
  827   2HD1  LEU  98          2HD1      LEU  98   2.685   1.686   7.392
  828   3HD1  LEU  98          1HD1      LEU  98   1.766   0.317   8.015
  829   1HD2  LEU  98          3HD2      LEU  98   0.543   2.593   6.326
  830   2HD2  LEU  98          2HD2      LEU  98  -0.394   1.530   5.277
  831   3HD2  LEU  98          1HD2      LEU  98  -0.311   1.209   7.010
  832    H    LEU  99           HN       LEU  99   2.965   0.266   1.788
  833    HA   LEU  99           HA       LEU  99   1.378  -2.108   1.940
  834   1HB   LEU  99           HB2      LEU  99   1.220  -1.903  -0.551
  835   2HB   LEU  99           HB1      LEU  99   0.599  -0.563   0.386
  836    HG   LEU  99           HG       LEU  99   2.698   0.687  -0.112
  837   1HD1  LEU  99          1HD1      LEU  99   3.177  -1.572  -2.050
  838   2HD1  LEU  99          3HD1      LEU  99   4.070  -0.051  -2.000
  839   3HD1  LEU  99          2HD1      LEU  99   4.167  -1.177  -0.646
  840   1HD2  LEU  99          1HD2      LEU  99   1.020  -0.214  -2.443
  841   2HD2  LEU  99          3HD2      LEU  99   0.652   1.103  -1.332
  842   3HD2  LEU  99          2HD2      LEU  99   2.037   1.226  -2.415
  843    H    VAL 100           HN       VAL 100   4.475  -1.977   2.304
  844    HA   VAL 100           HA       VAL 100   5.355  -4.004   0.444
  845    HB   VAL 100           HB       VAL 100   6.716  -2.850   2.894
  846   1HG1  VAL 100          3HG1      VAL 100   7.850  -4.591   0.707
  847   2HG1  VAL 100          2HG1      VAL 100   8.782  -3.815   1.988
  848   3HG1  VAL 100          1HG1      VAL 100   7.595  -5.058   2.388
  849   1HG2  VAL 100          1HG2      VAL 100   7.072  -2.238  -0.036
  850   2HG2  VAL 100          3HG2      VAL 100   6.369  -1.176   1.182
  851   3HG2  VAL 100          2HG2      VAL 100   8.078  -1.603   1.266
  852    HA   PRO 101           HA       PRO 101   3.839  -7.499   2.766
  853   1HB   PRO 101           HB2      PRO 101   5.729  -9.315   1.956
  854   2HB   PRO 101           HB1      PRO 101   4.329  -8.836   0.987
  855   1HG   PRO 101           HG2      PRO 101   7.145  -7.805   0.879
  856   2HG   PRO 101           HG1      PRO 101   6.083  -8.282  -0.460
  857   1HD   PRO 101           HD2      PRO 101   6.409  -5.719   0.133
  858   2HD   PRO 101           HD1      PRO 101   4.790  -6.340  -0.277
  859    H    ALA 102           HN       ALA 102   6.585  -5.863   3.465
  860    HA   ALA 102           HA       ALA 102   7.876  -7.594   5.331
  861   1HB   ALA 102           HB1      ALA 102   9.087  -5.576   6.003
  862   2HB   ALA 102           HB2      ALA 102   7.975  -4.596   5.046
  863   3HB   ALA 102           HB3      ALA 102   9.047  -5.748   4.248
  864    H    ALA 103           HN       ALA 103   8.225  -6.227   7.617
  865    HA   ALA 103           HA       ALA 103   5.588  -6.288   8.842
  866   1HB   ALA 103           HB1      ALA 103   8.290  -6.132  10.168
  867   2HB   ALA 103           HB3      ALA 103   6.745  -6.467  10.951
  868   3HB   ALA 103           HB2      ALA 103   7.426  -7.628   9.814
  869    H    GLU 104           HN       GLU 104   5.918  -4.656  11.011
  870    HA   GLU 104           HA       GLU 104   5.366  -2.104   9.958
  871   1HB   GLU 104           HB2      GLU 104   4.437  -2.979  12.078
  872   2HB   GLU 104           HB1      GLU 104   6.040  -2.898  12.794
  873   1HG   GLU 104           HG2      GLU 104   4.742  -1.019  13.515
  874   2HG   GLU 104           HG1      GLU 104   6.037  -0.462  12.455
  875    H    GLY 105           HN       GLY 105   8.083  -3.281  11.889
  876   1HA   GLY 105           HA1      GLY 105   9.800  -1.252  10.625
  877   2HA   GLY 105           HA2      GLY 105  10.361  -2.713  11.427
  878    H    GLU 106           HN       GLU 106   7.989  -1.498  13.325
  879    HA   GLU 106           HA       GLU 106   9.849   0.170  14.874
  880   1HB   GLU 106           HB2      GLU 106   6.888   0.539  14.414
  881   2HB   GLU 106           HB1      GLU 106   7.789   1.412  15.644
  882   1HG   GLU 106           HG2      GLU 106   8.355   1.517  12.688
  883   2HG   GLU 106           HG1      GLU 106   7.423   2.713  13.590
  884    H    ASP 107           HN       ASP 107   9.007   0.481  17.163
  885    HA   ASP 107           HA       ASP 107   8.187  -0.157  19.159
  886   1HB   ASP 107           HB2      ASP 107   6.064  -0.509  17.954
  887   2HB   ASP 107           HB1      ASP 107   6.526  -2.175  17.637
  888    H    SER 108           HN       SER 108   7.840  -3.423  17.948
  889    HA   SER 108           HA       SER 108   8.963  -4.508  20.257
  890   1HB   SER 108           HB2      SER 108   7.329  -5.610  18.735
  891   2HB   SER 108           HB1      SER 108   8.627  -5.842  17.567
  892    HG   SER 108           HG       SER 108   9.682  -7.175  19.048
  893    H    LEU 109           HN       LEU 109  10.354  -3.947  17.098
  894    HA   LEU 109           HA       LEU 109  12.664  -5.487  17.337
  895   1HB   LEU 109           HB2      LEU 109  12.373  -2.892  15.830
  896   2HB   LEU 109           HB1      LEU 109  13.558  -4.147  15.527
  897    HG   LEU 109           HG       LEU 109  10.578  -4.446  15.159
  898   1HD1  LEU 109          3HD1      LEU 109  12.802  -4.094  13.160
  899   2HD1  LEU 109          2HD1      LEU 109  11.129  -4.493  12.765
  900   3HD1  LEU 109          1HD1      LEU 109  11.512  -2.942  13.518
  901   1HD2  LEU 109          2HD2      LEU 109  12.854  -6.307  14.487
  902   2HD2  LEU 109          1HD2      LEU 109  11.654  -6.549  15.757
  903   3HD2  LEU 109          3HD2      LEU 109  11.160  -6.556  14.064
  904    H    LYS 110           HN       LYS 110  12.130  -2.077  18.144
  905    HA   LYS 110           HA       LYS 110  14.895  -1.772  18.949
  906   1HB   LYS 110           HB2      LYS 110  12.600   0.194  18.976
  907   2HB   LYS 110           HB1      LYS 110  14.281   0.590  19.315
  908   1HG   LYS 110           HG2      LYS 110  13.273  -0.530  16.704
  909   2HG   LYS 110           HG1      LYS 110  13.586   1.177  17.021
  910   1HD   LYS 110           HD2      LYS 110  15.890   0.854  17.167
  911   2HD   LYS 110           HD1      LYS 110  15.724  -0.877  17.466
  912   1HE   LYS 110           HE2      LYS 110  16.570  -0.436  15.217
  913   2HE   LYS 110           HE1      LYS 110  14.993  -1.221  15.172
  914   1HZ   LYS 110           HZ1      LYS 110  13.977   0.930  14.731
  915   2HZ   LYS 110           HZ3      LYS 110  15.501   1.681  14.767
  916   3HZ   LYS 110           HZ2      LYS 110  15.138   0.550  13.559
  917    H    LYS 111           HN       LYS 111  11.703  -1.909  20.467
  918    HA   LYS 111           HA       LYS 111  12.531  -1.123  23.046
  919   1HB   LYS 111           HB2      LYS 111  10.191  -2.814  22.163
  920   2HB   LYS 111           HB1      LYS 111  10.444  -2.301  23.825
  921   1HG   LYS 111           HG2      LYS 111  10.031  -0.480  21.458
  922   2HG   LYS 111           HG1      LYS 111   8.829  -0.879  22.686
  923   1HD   LYS 111           HD2      LYS 111  10.363   0.087  24.398
  924   2HD   LYS 111           HD1      LYS 111  11.414   0.619  23.085
  925   1HE   LYS 111           HE2      LYS 111   8.554   1.452  23.562
  926   2HE   LYS 111           HE1      LYS 111   9.992   2.443  23.798
  927   1HZ   LYS 111           HZ1      LYS 111  10.406   2.023  21.327
  928   2HZ   LYS 111           HZ3      LYS 111   8.782   1.524  21.263
  929   3HZ   LYS 111           HZ2      LYS 111   9.171   3.101  21.746
  930    H    MET 112           HN       MET 112  12.235  -4.309  21.544
  931    HA   MET 112           HA       MET 112  12.932  -5.692  23.943
  932   1HB   MET 112           HB2      MET 112  12.542  -6.564  21.100
  933   2HB   MET 112           HB1      MET 112  13.145  -7.675  22.324
  934   1HG   MET 112           HG2      MET 112  11.147  -7.346  23.648
  935   2HG   MET 112           HG1      MET 112  10.540  -6.171  22.482
  936   1HE   MET 112           HE1      MET 112  12.438  -9.570  21.845
  937   2HE   MET 112           HE3      MET 112  11.366  -9.938  23.198
  938   3HE   MET 112           HE2      MET 112  11.084 -10.678  21.622
  939    H    LYS 113           HN       LYS 113  14.727  -4.526  21.172
  940    HA   LYS 113           HA       LYS 113  17.056  -6.098  21.689
  941   1HB   LYS 113           HB2      LYS 113  16.230  -4.648  19.572
  942   2HB   LYS 113           HB1      LYS 113  17.317  -3.482  20.305
  943   1HG   LYS 113           HG2      LYS 113  18.172  -6.288  19.662
  944   2HG   LYS 113           HG1      LYS 113  18.254  -4.982  18.482
  945   1HD   LYS 113           HD2      LYS 113  20.353  -4.797  19.310
  946   2HD   LYS 113           HD1      LYS 113  19.536  -3.802  20.513
  947   1HE   LYS 113           HE2      LYS 113  21.085  -5.404  21.539
  948   2HE   LYS 113           HE1      LYS 113  19.419  -5.692  22.040
  949   1HZ   LYS 113           HZ3      LYS 113  20.802  -7.191  19.872
  950   2HZ   LYS 113           HZ2      LYS 113  20.669  -7.739  21.470
  951   3HZ   LYS 113           HZ1      LYS 113  19.274  -7.531  20.526
  952    H    LEU 114           HN       LEU 114  15.933  -2.912  22.721
  953    HA   LEU 114           HA       LEU 114  18.519  -2.394  23.893
  954   1HB   LEU 114           HB2      LEU 114  17.295  -0.672  22.569
  955   2HB   LEU 114           HB1      LEU 114  16.073  -0.634  23.827
  956    HG   LEU 114           HG       LEU 114  17.787   0.118  25.437
  957   1HD1  LEU 114          3HD1      LEU 114  19.721  -0.893  24.317
  958   2HD1  LEU 114          2HD1      LEU 114  19.562   0.273  23.004
  959   3HD1  LEU 114          1HD1      LEU 114  19.969   0.826  24.630
  960   1HD2  LEU 114          2HD2      LEU 114  16.373   1.722  24.240
  961   2HD2  LEU 114          1HD2      LEU 114  17.975   2.388  24.561
  962   3HD2  LEU 114          3HD2      LEU 114  17.566   1.808  22.945
  963    H    MET 115           HN       MET 115  15.126  -2.170  25.035
  964    HA   MET 115           HA       MET 115  16.134  -2.031  27.756
  965   1HB   MET 115           HB2      MET 115  14.394  -0.454  26.891
  966   2HB   MET 115           HB1      MET 115  13.280  -1.810  26.801
  967   1HG   MET 115           HG2      MET 115  14.626  -1.200  29.388
  968   2HG   MET 115           HG1      MET 115  13.280  -0.199  28.855
  969   1HE   MET 115           HE1      MET 115  10.840  -1.072  28.467
  970   2HE   MET 115           HE3      MET 115  11.452  -2.264  27.316
  971   3HE   MET 115           HE2      MET 115  10.363  -2.764  28.610
  972    H    GLU 116           HN       GLU 116  13.921  -4.103  25.873
  973    HA   GLU 116           HA       GLU 116  13.312  -5.865  27.975
  974   1HB   GLU 116           HB2      GLU 116  13.252  -6.239  24.998
  975   2HB   GLU 116           HB1      GLU 116  12.684  -7.459  26.131
  976   1HG   GLU 116           HG2      GLU 116  11.624  -4.648  25.970
  977   2HG   GLU 116           HG1      GLU 116  10.884  -6.050  25.202
  978    H    LEU 117           HN       LEU 117  16.080  -5.568  26.002
  979    HA   LEU 117           HA       LEU 117  17.119  -8.201  26.308
  980   1HB   LEU 117           HB2      LEU 117  17.777  -5.932  24.854
  981   2HB   LEU 117           HB1      LEU 117  19.102  -6.090  25.988
  982    HG   LEU 117           HG       LEU 117  19.591  -7.158  23.830
  983   1HD1  LEU 117          2HD1      LEU 117  20.647  -8.040  25.841
  984   2HD1  LEU 117          1HD1      LEU 117  19.282  -9.129  26.091
  985   3HD1  LEU 117          3HD1      LEU 117  20.321  -9.327  24.679
  986   1HD2  LEU 117          1HD2      LEU 117  17.317  -7.787  23.218
  987   2HD2  LEU 117          3HD2      LEU 117  18.402  -9.176  23.153
  988   3HD2  LEU 117          2HD2      LEU 117  17.293  -8.985  24.512
  989    H    ALA 118           HN       ALA 118  16.753  -5.587  28.394
  990    HA   ALA 118           HA       ALA 118  17.418  -5.091  30.495
  991   1HB   ALA 118           HB2      ALA 118  18.813  -7.765  30.537
  992   2HB   ALA 118           HB3      ALA 118  17.123  -7.499  30.970
  993   3HB   ALA 118           HB1      ALA 118  18.407  -6.756  31.926
  994    H    ILE 119           HN       ILE 119  19.104  -4.826  27.970
  995    HA   ILE 119           HA       ILE 119  21.781  -4.510  28.965
  996    HB   ILE 119           HB       ILE 119  20.482  -3.509  26.417
  997   1HG1  ILE 119          2HG1      ILE 119  20.583  -5.948  26.539
  998   2HG1  ILE 119          1HG1      ILE 119  21.725  -5.346  25.342
  999   1HG2  ILE 119          2HG2      ILE 119  23.388  -3.543  27.207
 1000   2HG2  ILE 119          1HG2      ILE 119  22.769  -3.147  25.604
 1001   3HG2  ILE 119          3HG2      ILE 119  22.377  -2.116  26.979
 1002   1HD1  ILE 119          2HD1      ILE 119  23.548  -5.636  26.957
 1003   2HD1  ILE 119          1HD1      ILE 119  22.394  -6.267  28.132
 1004   3HD1  ILE 119          3HD1      ILE 119  22.699  -7.148  26.634
 1005    H    LEU 120           HN       LEU 120  19.549  -2.115  27.562
 1006    HA   LEU 120           HA       LEU 120  20.304  -0.274  29.719
 1007   1HB   LEU 120           HB2      LEU 120  19.800   0.133  26.845
 1008   2HB   LEU 120           HB1      LEU 120  19.095   1.339  27.907
 1009    HG   LEU 120           HG       LEU 120  21.335   1.980  27.067
 1010   1HD1  LEU 120          2HD1      LEU 120  21.176   1.481  30.039
 1011   2HD1  LEU 120          1HD1      LEU 120  22.257   2.628  29.242
 1012   3HD1  LEU 120          3HD1      LEU 120  20.514   2.875  29.182
 1013   1HD2  LEU 120          3HD2      LEU 120  22.304  -0.269  26.955
 1014   2HD2  LEU 120          2HD2      LEU 120  23.309   0.824  27.912
 1015   3HD2  LEU 120          1HD2      LEU 120  22.275  -0.361  28.717
 1016    H    ASN 121           HN       ASN 121  18.857  -1.040  31.169
 1017    HA   ASN 121           HA       ASN 121  16.035  -1.089  30.562
 1018   1HB   ASN 121           HB2      ASN 121  16.073  -1.495  33.202
 1019   2HB   ASN 121           HB1      ASN 121  16.442  -2.772  32.047
 1020   1HD2  ASN 121          1HD2      ASN 121  17.732  -0.608  34.434
 1021   2HD2  ASN 121          2HD2      ASN 121  19.307  -1.325  34.513
 1022    H    GLY 122           HN       GLY 122  18.065   1.380  31.075
 1023   1HA   GLY 122           HA1      GLY 122  15.808   3.045  31.908
 1024   2HA   GLY 122           HA2      GLY 122  17.216   3.591  31.017
 1025    H    THR 123           HN       THR 123  18.165   1.651  33.599
 1026    HA   THR 123           HA       THR 123  17.948   3.463  35.741
 1027    HB   THR 123           HB       THR 123  19.994   1.261  35.419
 1028    HG1  THR 123           HG1      THR 123  17.346   1.225  36.504
 1029   1HG2  THR 123          3HG2      THR 123  18.849   2.595  37.877
 1030   2HG2  THR 123          2HG2      THR 123  19.959   1.224  37.878
 1031   3HG2  THR 123          1HG2      THR 123  20.490   2.791  37.263
 1032    H    TYR 124           HN       TYR 124  20.966   2.520  34.050
 1033    HA   TYR 124           HA       TYR 124  22.151   5.038  34.947
 1034   1HB   TYR 124           HB2      TYR 124  23.490   2.674  33.614
 1035   2HB   TYR 124           HB1      TYR 124  24.295   4.048  34.364
 1036    HD1  TYR 124           HD1      TYR 124  23.044   0.754  34.866
 1037    HD2  TYR 124           HD2      TYR 124  23.892   4.401  36.883
 1038    HE1  TYR 124           HE1      TYR 124  23.093  -0.451  37.009
 1039    HE2  TYR 124           HE2      TYR 124  23.946   3.207  39.030
 1040    HH   TYR 124           HH       TYR 124  23.010   1.115  39.990
 1041    H    ARG 125           HN       ARG 125  22.420   6.696  33.618
 1042    HA   ARG 125           HA       ARG 125  21.405   6.655  30.976
 1043   1HB   ARG 125           HB2      ARG 125  21.635   8.617  32.671
 1044   2HB   ARG 125           HB1      ARG 125  23.260   8.780  32.029
 1045   1HG   ARG 125           HG2      ARG 125  20.773   8.900  30.337
 1046   2HG   ARG 125           HG1      ARG 125  21.559  10.313  31.033
 1047   1HD   ARG 125           HD2      ARG 125  22.804   8.368  29.091
 1048   2HD   ARG 125           HD1      ARG 125  22.199   9.975  28.697
 1049    HE   ARG 125           HE       ARG 125  24.524   9.448  30.446
 1050   1HH1  ARG 125          1HH1      ARG 125  22.771  11.500  28.210
 1051   2HH1  ARG 125          2HH1      ARG 125  24.083  12.620  28.018
 1052   1HH2  ARG 125          1HH2      ARG 125  26.259  10.910  30.185
 1053   2HH2  ARG 125          2HH2      ARG 125  26.065  12.292  29.137
 1054    H    ASP 126           HN       ASP 126  24.744   7.055  32.190
 1055    HA   ASP 126           HA       ASP 126  25.787   7.055  29.521
 1056   1HB   ASP 126           HB2      ASP 126  27.050   7.192  32.239
 1057   2HB   ASP 126           HB1      ASP 126  28.021   7.042  30.779
 1058    H    ALA 127           HN       ALA 127  24.736   4.559  31.381
 1059    HA   ALA 127           HA       ALA 127  26.700   2.595  30.755
 1060   1HB   ALA 127           HB2      ALA 127  24.950   0.958  31.302
 1061   2HB   ALA 127           HB1      ALA 127  25.075   2.214  32.535
 1062   3HB   ALA 127           HB3      ALA 127  23.760   2.259  31.358
 1063    H    ASN 128           HN       ASN 128  24.272   4.220  29.025
 1064    HA   ASN 128           HA       ASN 128  23.699   2.461  26.925
 1065   1HB   ASN 128           HB2      ASN 128  22.445   4.508  27.301
 1066   2HB   ASN 128           HB1      ASN 128  23.874   5.483  26.994
 1067   1HD2  ASN 128          1HD2      ASN 128  23.106   6.619  25.323
 1068   2HD2  ASN 128          2HD2      ASN 128  22.680   5.929  23.784
 1069    H    LEU 129           HN       LEU 129  26.346   4.740  27.414
 1070    HA   LEU 129           HA       LEU 129  27.576   3.900  24.892
 1071   1HB   LEU 129           HB2      LEU 129  27.439   6.301  25.285
 1072   2HB   LEU 129           HB1      LEU 129  28.289   6.123  26.806
 1073    HG   LEU 129           HG       LEU 129  30.266   5.290  25.523
 1074   1HD1  LEU 129          1HD1      LEU 129  28.672   6.247  23.155
 1075   2HD1  LEU 129          3HD1      LEU 129  30.371   5.776  23.132
 1076   3HD1  LEU 129          2HD1      LEU 129  29.130   4.580  23.500
 1077   1HD2  LEU 129          3HD2      LEU 129  30.145   7.576  26.335
 1078   2HD2  LEU 129          2HD2      LEU 129  30.962   7.508  24.773
 1079   3HD2  LEU 129          1HD2      LEU 129  29.290   8.062  24.871
 1080    H    LYS 130           HN       LYS 130  28.114   3.978  28.365
 1081    HA   LYS 130           HA       LYS 130  29.619   3.014  29.743
 1082   1HB   LYS 130           HB2      LYS 130  30.331   1.341  27.325
 1083   2HB   LYS 130           HB1      LYS 130  30.997   1.091  28.933
 1084   1HG   LYS 130           HG2      LYS 130  28.782   0.602  29.800
 1085   2HG   LYS 130           HG1      LYS 130  28.078   0.913  28.212
 1086   1HD   LYS 130           HD2      LYS 130  28.317  -1.472  28.575
 1087   2HD   LYS 130           HD1      LYS 130  29.395  -0.942  27.284
 1088   1HE   LYS 130           HE2      LYS 130  30.511  -2.515  28.782
 1089   2HE   LYS 130           HE1      LYS 130  31.272  -0.926  28.844
 1090   1HZ   LYS 130           HZ1      LYS 130  29.261  -1.868  30.816
 1091   2HZ   LYS 130           HZ3      LYS 130  30.938  -2.000  31.039
 1092   3HZ   LYS 130           HZ2      LYS 130  30.222  -0.471  30.911
 1093    H    SER 131           HN       SER 131  31.159   4.338  30.400
 1094    HA   SER 131           HA       SER 131  33.117   5.258  28.407
 1095   1HB   SER 131           HB2      SER 131  32.154   6.705  30.885
 1096   2HB   SER 131           HB1      SER 131  33.299   7.328  29.695
 1097    HG   SER 131           HG       SER 131  31.005   6.453  28.532
 1098    HA   PRO 132           HA       PRO 132  35.904   3.393  31.477
 1099   1HB   PRO 132           HB2      PRO 132  36.942   1.455  29.956
 1100   2HB   PRO 132           HB1      PRO 132  35.358   1.275  30.717
 1101   1HG   PRO 132           HG2      PRO 132  36.036   1.701  27.878
 1102   2HG   PRO 132           HG1      PRO 132  34.578   0.997  28.592
 1103   1HD   PRO 132           HD2      PRO 132  35.003   3.696  27.653
 1104   2HD   PRO 132           HD1      PRO 132  33.510   2.966  28.277
 1105    H    ALA 133           HN       ALA 133  36.152   5.111  28.648
 1106    HA   ALA 133           HA       ALA 133  39.089   4.985  28.560
 1107   1HB   ALA 133           HB2      ALA 133  37.977   4.313  26.493
 1108   2HB   ALA 133           HB3      ALA 133  38.927   5.782  26.269
 1109   3HB   ALA 133           HB1      ALA 133  37.171   5.881  26.415
 1110    H    LEU 134           HN       LEU 134  37.141   6.700  30.226
 1111    HA   LEU 134           HA       LEU 134  38.105   9.348  29.402
 1112   1HB   LEU 134           HB2      LEU 134  35.986   8.571  31.411
 1113   2HB   LEU 134           HB1      LEU 134  36.486  10.216  31.077
 1114    HG   LEU 134           HG       LEU 134  35.131   8.347  29.132
 1115   1HD1  LEU 134          3HD1      LEU 134  33.641   9.186  30.867
 1116   2HD1  LEU 134          2HD1      LEU 134  34.148  10.838  30.517
 1117   3HD1  LEU 134          1HD1      LEU 134  33.263   9.912  29.306
 1118   1HD2  LEU 134          3HD2      LEU 134  36.042  11.207  28.799
 1119   2HD2  LEU 134          2HD2      LEU 134  36.681   9.794  27.959
 1120   3HD2  LEU 134          1HD2      LEU 134  35.026  10.323  27.660

  No H/Q in entry =        1120
  Start of MODEL    8
    1    H1   GLN   1           HT1      GLN   1 -11.214  14.323 -11.895
    2    H2   GLN   1           HT3      GLN   1 -11.963  15.461 -10.886
    3    H3   GLN   1           HT2      GLN   1 -10.581  15.892 -11.769
    4    HA   GLN   1           HA       GLN   1  -9.961  15.537  -9.499
    5   1HB   GLN   1           HB2      GLN   1 -10.408  13.522  -8.338
    6   2HB   GLN   1           HB1      GLN   1 -11.928  13.950  -9.103
    7   1HG   GLN   1           HG2      GLN   1 -11.278  12.370 -10.956
    8   2HG   GLN   1           HG1      GLN   1  -9.973  11.852  -9.904
    9   1HE2  GLN   1          1HE2      GLN   1 -11.568  12.175  -7.493
   10   2HE2  GLN   1          2HE2      GLN   1 -12.634  10.817  -7.464
   11    H    LEU   2           HN       LEU   2  -8.062  14.094  -8.824
   12    HA   LEU   2           HA       LEU   2  -6.901  12.787 -11.204
   13   1HB   LEU   2           HB2      LEU   2  -4.754  13.362 -10.598
   14   2HB   LEU   2           HB1      LEU   2  -5.632  14.774 -10.061
   15    HG   LEU   2           HG       LEU   2  -5.613  13.654  -7.726
   16   1HD1  LEU   2          2HD1      LEU   2  -3.357  12.139  -9.035
   17   2HD1  LEU   2          1HD1      LEU   2  -3.712  12.180  -7.308
   18   3HD1  LEU   2          3HD1      LEU   2  -4.855  11.436  -8.427
   19   1HD2  LEU   2          3HD2      LEU   2  -3.066  14.644  -8.988
   20   2HD2  LEU   2          2HD2      LEU   2  -4.344  15.641  -8.289
   21   3HD2  LEU   2          1HD2      LEU   2  -3.396  14.567  -7.257
   22    H    GLN   3           HN       GLN   3  -6.183  10.667 -10.988
   23    HA   GLN   3           HA       GLN   3  -6.315   9.527  -8.282
   24   1HB   GLN   3           HB2      GLN   3  -7.098   7.865 -10.659
   25   2HB   GLN   3           HB1      GLN   3  -7.383   7.559  -8.954
   26   1HG   GLN   3           HG2      GLN   3  -8.885   9.681  -9.123
   27   2HG   GLN   3           HG1      GLN   3  -8.885   9.290 -10.843
   28   1HE2  GLN   3          1HE2      GLN   3  -8.586   6.407 -10.233
   29   2HE2  GLN   3          2HE2      GLN   3 -10.140   5.879  -9.682
   30    H    GLU   4           HN       GLU   4  -4.505   8.476  -7.761
   31    HA   GLU   4           HA       GLU   4  -2.915   7.342  -9.961
   32   1HB   GLU   4           HB2      GLU   4  -1.687   8.102  -7.331
   33   2HB   GLU   4           HB1      GLU   4  -0.901   7.858  -8.884
   34   1HG   GLU   4           HG2      GLU   4  -2.366   9.946  -9.560
   35   2HG   GLU   4           HG1      GLU   4  -2.331  10.226  -7.825
   36    H    LYS   5           HN       LYS   5  -2.701   5.192  -9.853
   37    HA   LYS   5           HA       LYS   5  -3.699   3.934  -7.389
   38   1HB   LYS   5           HB2      LYS   5  -3.587   2.479 -10.008
   39   2HB   LYS   5           HB1      LYS   5  -4.581   2.147  -8.607
   40   1HG   LYS   5           HG2      LYS   5  -6.126   2.952 -10.105
   41   2HG   LYS   5           HG1      LYS   5  -5.739   4.391  -9.162
   42   1HD   LYS   5           HD2      LYS   5  -5.865   4.804 -11.608
   43   2HD   LYS   5           HD1      LYS   5  -4.294   5.209 -10.907
   44   1HE   LYS   5           HE2      LYS   5  -3.355   3.137 -11.731
   45   2HE   LYS   5           HE1      LYS   5  -4.931   2.619 -12.324
   46   1HZ   LYS   5           HZ3      LYS   5  -4.908   4.491 -13.872
   47   2HZ   LYS   5           HZ2      LYS   5  -3.371   4.949 -13.321
   48   3HZ   LYS   5           HZ1      LYS   5  -3.583   3.464 -14.115
   49    H    LEU   6           HN       LEU   6  -2.236   3.017  -6.227
   50    HA   LEU   6           HA       LEU   6   0.239   2.088  -7.499
   51   1HB   LEU   6           HB2      LEU   6  -0.234   2.690  -4.581
   52   2HB   LEU   6           HB1      LEU   6   1.310   2.493  -5.398
   53    HG   LEU   6           HG       LEU   6  -0.616   4.728  -6.034
   54   1HD1  LEU   6          2HD1      LEU   6   0.119   4.894  -3.705
   55   2HD1  LEU   6          1HD1      LEU   6   1.799   4.836  -4.242
   56   3HD1  LEU   6          3HD1      LEU   6   0.768   6.192  -4.709
   57   1HD2  LEU   6          3HD2      LEU   6   0.993   4.135  -7.790
   58   2HD2  LEU   6          2HD2      LEU   6   1.287   5.744  -7.125
   59   3HD2  LEU   6          1HD2      LEU   6   2.315   4.388  -6.649
   60    H    TYR   7           HN       TYR   7  -0.114   0.052  -8.031
   61    HA   TYR   7           HA       TYR   7  -1.997  -1.605  -6.702
   62   1HB   TYR   7           HB2      TYR   7  -0.158  -1.891  -9.016
   63   2HB   TYR   7           HB1      TYR   7  -0.766  -3.370  -8.268
   64    HD1  TYR   7           HD1      TYR   7  -2.908  -4.157  -8.786
   65    HD2  TYR   7           HD2      TYR   7  -1.857  -0.150  -9.761
   66    HE1  TYR   7           HE1      TYR   7  -5.001  -3.919 -10.053
   67    HE2  TYR   7           HE2      TYR   7  -3.942   0.100 -11.022
   68    HH   TYR   7           HH       TYR   7  -6.465  -2.263 -10.894
   69    H    VAL   8           HN       VAL   8  -1.795  -3.237  -5.350
   70    HA   VAL   8           HA       VAL   8   0.886  -4.296  -4.803
   71    HB   VAL   8           HB       VAL   8  -0.095  -4.904  -2.490
   72   1HG1  VAL   8          1HG1      VAL   8   1.744  -3.356  -2.812
   73   2HG1  VAL   8          3HG1      VAL   8   0.608  -2.047  -3.129
   74   3HG1  VAL   8          2HG1      VAL   8   0.671  -2.793  -1.532
   75   1HG2  VAL   8          1HG2      VAL   8  -1.959  -2.678  -3.319
   76   2HG2  VAL   8          3HG2      VAL   8  -2.385  -4.320  -2.814
   77   3HG2  VAL   8          2HG2      VAL   8  -1.709  -3.183  -1.643
   78    HA   PRO   9           HA       PRO   9  -1.430  -7.596  -6.567
   79   1HB   PRO   9           HB2      PRO   9   0.528  -9.464  -6.635
   80   2HB   PRO   9           HB1      PRO   9   0.472  -8.095  -7.755
   81   1HG   PRO   9           HG2      PRO   9   2.096  -8.458  -5.271
   82   2HG   PRO   9           HG1      PRO   9   2.582  -7.774  -6.837
   83   1HD   PRO   9           HD2      PRO   9   1.923  -6.223  -4.689
   84   2HD   PRO   9           HD1      PRO   9   1.671  -5.704  -6.367
   85    H    VAL  10           HN       VAL  10  -2.812  -7.804  -4.781
   86    HA   VAL  10           HA       VAL  10  -2.217  -9.217  -2.434
   87    HB   VAL  10           HB       VAL  10  -4.204  -7.744  -2.832
   88   1HG1  VAL  10          2HG1      VAL  10  -4.943  -8.612  -4.962
   89   2HG1  VAL  10          1HG1      VAL  10  -5.314 -10.169  -4.218
   90   3HG1  VAL  10          3HG1      VAL  10  -6.236  -8.734  -3.767
   91   1HG2  VAL  10          3HG2      VAL  10  -4.708 -10.474  -1.681
   92   2HG2  VAL  10          2HG2      VAL  10  -4.046  -9.076  -0.835
   93   3HG2  VAL  10          1HG2      VAL  10  -5.718  -9.056  -1.397
   94    H    LYS  11           HN       LYS  11  -2.875 -10.168  -5.633
   95    HA   LYS  11           HA       LYS  11  -3.573 -12.888  -5.262
   96   1HB   LYS  11           HB2      LYS  11  -1.974 -11.968  -7.627
   97   2HB   LYS  11           HB1      LYS  11  -3.311 -13.108  -7.567
   98   1HG   LYS  11           HG2      LYS  11  -4.873 -11.277  -7.211
   99   2HG   LYS  11           HG1      LYS  11  -3.537 -10.126  -7.232
  100   1HD   LYS  11           HD2      LYS  11  -4.315  -9.976  -9.400
  101   2HD   LYS  11           HD1      LYS  11  -3.034 -11.178  -9.566
  102   1HE   LYS  11           HE2      LYS  11  -4.970 -11.936 -10.770
  103   2HE   LYS  11           HE1      LYS  11  -4.754 -12.956  -9.346
  104   1HZ   LYS  11           HZ1      LYS  11  -6.642 -10.662  -9.531
  105   2HZ   LYS  11           HZ3      LYS  11  -7.076 -12.298  -9.682
  106   3HZ   LYS  11           HZ2      LYS  11  -6.465 -11.712  -8.215
  107    H    GLU  12           HN       GLU  12  -0.617 -11.095  -5.228
  108    HA   GLU  12           HA       GLU  12   1.155 -13.348  -5.335
  109   1HB   GLU  12           HB2      GLU  12   1.527 -10.426  -4.729
  110   2HB   GLU  12           HB1      GLU  12   2.838 -11.590  -4.565
  111   1HG   GLU  12           HG2      GLU  12   1.301 -11.176  -7.113
  112   2HG   GLU  12           HG1      GLU  12   2.798 -10.331  -6.720
  113    H    TYR  13           HN       TYR  13  -0.307 -11.332  -2.878
  114    HA   TYR  13           HA       TYR  13   0.991 -12.985  -0.814
  115   1HB   TYR  13           HB2      TYR  13   0.193 -10.091  -0.477
  116   2HB   TYR  13           HB1      TYR  13   1.162 -11.074   0.618
  117    HD1  TYR  13           HD1      TYR  13   3.476 -11.621   0.073
  118    HD2  TYR  13           HD2      TYR  13   1.171  -9.083  -2.437
  119    HE1  TYR  13           HE1      TYR  13   5.533 -10.854  -1.010
  120    HE2  TYR  13           HE2      TYR  13   3.225  -8.307  -3.547
  121    HH   TYR  13           HH       TYR  13   5.590  -8.145  -3.149
  122    HA   PRO  14           HA       PRO  14  -3.561 -13.507  -0.325
  123   1HB   PRO  14           HB2      PRO  14  -2.769 -16.201   0.526
  124   2HB   PRO  14           HB1      PRO  14  -3.902 -15.715  -0.738
  125   1HG   PRO  14           HG2      PRO  14  -1.516 -16.817  -1.312
  126   2HG   PRO  14           HG1      PRO  14  -2.258 -15.582  -2.347
  127   1HD   PRO  14           HD2      PRO  14  -0.079 -15.287  -0.311
  128   2HD   PRO  14           HD1      PRO  14  -0.212 -14.567  -1.930
  129    H    ASP  15           HN       ASP  15  -0.794 -14.229   1.686
  130    HA   ASP  15           HA       ASP  15  -2.441 -14.424   4.082
  131   1HB   ASP  15           HB2      ASP  15  -0.611 -16.031   3.807
  132   2HB   ASP  15           HB1      ASP  15   0.550 -14.711   3.716
  133    H    PHE  16           HN       PHE  16  -0.740 -12.045   2.355
  134    HA   PHE  16           HA       PHE  16  -0.617 -10.348   4.756
  135   1HB   PHE  16           HB2      PHE  16   1.464 -10.630   3.261
  136   2HB   PHE  16           HB1      PHE  16   0.595  -9.600   2.114
  137    HD1  PHE  16           HD1      PHE  16   1.806  -9.748   5.612
  138    HD2  PHE  16           HD2      PHE  16   0.593  -7.270   2.379
  139    HE1  PHE  16           HE1      PHE  16   2.564  -7.769   6.846
  140    HE2  PHE  16           HE2      PHE  16   1.369  -5.303   3.586
  141    HZ   PHE  16           HZ       PHE  16   2.345  -5.538   5.836
  142    H    ASN  17           HN       ASN  17  -2.446  -9.414   5.026
  143    HA   ASN  17           HA       ASN  17  -4.062  -8.541   2.817
  144   1HB   ASN  17           HB2      ASN  17  -5.402  -7.534   4.836
  145   2HB   ASN  17           HB1      ASN  17  -5.436  -9.264   4.527
  146   1HD2  ASN  17          1HD2      ASN  17  -2.943  -7.255   6.107
  147   2HD2  ASN  17          2HD2      ASN  17  -2.966  -8.139   7.602
  148    H    PHE  18           HN       PHE  18  -3.119  -6.879   1.729
  149    HA   PHE  18           HA       PHE  18  -1.675  -4.812   2.918
  150   1HB   PHE  18           HB2      PHE  18  -3.214  -4.845   0.310
  151   2HB   PHE  18           HB1      PHE  18  -2.126  -3.535   0.800
  152    HD1  PHE  18           HD1      PHE  18   0.197  -4.220   1.503
  153    HD2  PHE  18           HD2      PHE  18  -2.295  -6.657  -0.918
  154    HE1  PHE  18           HE1      PHE  18   2.170  -5.399   0.719
  155    HE2  PHE  18           HE2      PHE  18  -0.297  -7.872  -1.747
  156    HZ   PHE  18           HZ       PHE  18   1.931  -7.229  -0.908
  157    H    VAL  19           HN       VAL  19  -5.134  -5.153   2.368
  158    HA   VAL  19           HA       VAL  19  -5.820  -2.588   3.422
  159    HB   VAL  19           HB       VAL  19  -7.333  -5.129   2.916
  160   1HG1  VAL  19          3HG1      VAL  19  -8.210  -4.298   5.045
  161   2HG1  VAL  19          2HG1      VAL  19  -8.461  -2.710   4.318
  162   3HG1  VAL  19          1HG1      VAL  19  -9.381  -4.099   3.742
  163   1HG2  VAL  19          2HG2      VAL  19  -6.892  -3.603   1.070
  164   2HG2  VAL  19          1HG2      VAL  19  -8.617  -3.673   1.439
  165   3HG2  VAL  19          3HG2      VAL  19  -7.657  -2.290   1.966
  166    H    GLY  20           HN       GLY  20  -5.770  -5.845   4.832
  167   1HA   GLY  20           HA1      GLY  20  -5.584  -6.544   7.001
  168   2HA   GLY  20           HA2      GLY  20  -6.476  -5.099   7.440
  169    H    ARG  21           HN       ARG  21  -3.545  -4.623   5.739
  170    HA   ARG  21           HA       ARG  21  -2.078  -4.175   8.217
  171   1HB   ARG  21           HB2      ARG  21  -0.844  -5.448   6.560
  172   2HB   ARG  21           HB1      ARG  21  -1.146  -4.225   5.340
  173   1HG   ARG  21           HG2      ARG  21  -0.024  -2.828   7.427
  174   2HG   ARG  21           HG1      ARG  21   0.912  -4.321   7.369
  175   1HD   ARG  21           HD2      ARG  21   1.691  -2.315   5.960
  176   2HD   ARG  21           HD1      ARG  21   1.637  -3.895   5.187
  177    HE   ARG  21           HE       ARG  21  -0.595  -2.006   4.898
  178   1HH1  ARG  21          1HH1      ARG  21   1.984  -3.929   3.625
  179   2HH1  ARG  21          2HH1      ARG  21   1.443  -3.840   1.979
  180   1HH2  ARG  21          1HH2      ARG  21  -1.369  -1.870   2.720
  181   2HH2  ARG  21          2HH2      ARG  21  -0.474  -2.655   1.460
  182    H    ILE  22           HN       ILE  22  -3.088  -2.431   5.273
  183    HA   ILE  22           HA       ILE  22  -1.637  -0.075   6.061
  184    HB   ILE  22           HB       ILE  22  -3.147  -0.888   3.690
  185   1HG1  ILE  22          2HG1      ILE  22  -0.704  -0.620   3.805
  186   2HG1  ILE  22          1HG1      ILE  22  -1.422   0.414   2.574
  187   1HG2  ILE  22          3HG2      ILE  22  -4.624   0.943   4.328
  188   2HG2  ILE  22          2HG2      ILE  22  -3.239   2.024   4.470
  189   3HG2  ILE  22          1HG2      ILE  22  -3.682   1.360   2.898
  190   1HD1  ILE  22          3HD1      ILE  22  -1.260   2.321   4.106
  191   2HD1  ILE  22          2HD1      ILE  22  -0.499   1.279   5.305
  192   3HD1  ILE  22          1HD1      ILE  22   0.309   1.588   3.774
  193    H    LEU  23           HN       LEU  23  -5.100  -0.901   5.840
  194    HA   LEU  23           HA       LEU  23  -5.551   1.415   7.554
  195   1HB   LEU  23           HB2      LEU  23  -7.903   1.488   6.846
  196   2HB   LEU  23           HB1      LEU  23  -6.754   1.830   5.583
  197    HG   LEU  23           HG       LEU  23  -8.666   0.589   4.757
  198   1HD1  LEU  23          2HD1      LEU  23  -6.556   0.286   3.630
  199   2HD1  LEU  23          1HD1      LEU  23  -6.147  -1.044   4.711
  200   3HD1  LEU  23          3HD1      LEU  23  -7.503  -1.201   3.595
  201   1HD2  LEU  23          1HD2      LEU  23  -7.821  -1.577   6.664
  202   2HD2  LEU  23          3HD2      LEU  23  -9.311  -0.632   6.725
  203   3HD2  LEU  23          2HD2      LEU  23  -9.030  -1.753   5.391
  204    H    GLY  24           HN       GLY  24  -5.467  -1.908   7.669
  205   1HA   GLY  24           HA1      GLY  24  -5.954  -3.356   9.392
  206   2HA   GLY  24           HA2      GLY  24  -7.580  -2.715   9.222
  207    HA   PRO  25           HA       PRO  25  -5.864  -1.078  13.265
  208   1HB   PRO  25           HB2      PRO  25  -3.293  -1.368  13.921
  209   2HB   PRO  25           HB1      PRO  25  -4.385  -2.757  13.880
  210   1HG   PRO  25           HG2      PRO  25  -2.295  -1.931  11.928
  211   2HG   PRO  25           HG1      PRO  25  -2.807  -3.557  12.406
  212   1HD   PRO  25           HD2      PRO  25  -3.611  -2.162  10.099
  213   2HD   PRO  25           HD1      PRO  25  -4.346  -3.642  10.745
  214    H    ARG  26           HN       ARG  26  -4.214  -0.142  10.438
  215    HA   ARG  26           HA       ARG  26  -3.133   2.298  11.686
  216   1HB   ARG  26           HB2      ARG  26  -1.866   0.334  10.183
  217   2HB   ARG  26           HB1      ARG  26  -2.109   1.650   9.042
  218   1HG   ARG  26           HG2      ARG  26  -0.928   3.175  10.484
  219   2HG   ARG  26           HG1      ARG  26  -0.766   1.924  11.721
  220   1HD   ARG  26           HD2      ARG  26   0.456   1.939   8.966
  221   2HD   ARG  26           HD1      ARG  26   1.301   2.086  10.507
  222    HE   ARG  26           HE       ARG  26  -0.218  -0.352   9.902
  223   1HH1  ARG  26          1HH1      ARG  26   2.845   1.223  10.579
  224   2HH1  ARG  26          2HH1      ARG  26   3.710  -0.286  10.758
  225   1HH2  ARG  26          1HH2      ARG  26   0.931  -2.317  10.138
  226   2HH2  ARG  26          2HH2      ARG  26   2.641  -2.270  10.494
  227    H    GLY  27           HN       GLY  27  -5.870   1.683  10.403
  228   1HA   GLY  27           HA1      GLY  27  -7.405   2.791   9.112
  229   2HA   GLY  27           HA2      GLY  27  -6.119   2.923   7.918
  230    H    LEU  28           HN       LEU  28  -5.555   4.346  10.970
  231    HA   LEU  28           HA       LEU  28  -6.662   6.863  10.726
  232   1HB   LEU  28           HB2      LEU  28  -4.086   5.955  11.994
  233   2HB   LEU  28           HB1      LEU  28  -4.617   7.621  12.067
  234    HG   LEU  28           HG       LEU  28  -5.218   6.608  14.124
  235   1HD1  LEU  28          2HD1      LEU  28  -6.887   8.108  13.199
  236   2HD1  LEU  28          1HD1      LEU  28  -7.669   6.756  12.382
  237   3HD1  LEU  28          3HD1      LEU  28  -7.646   6.826  14.144
  238   1HD2  LEU  28          1HD2      LEU  28  -5.081   4.260  13.391
  239   2HD2  LEU  28          3HD2      LEU  28  -6.535   4.594  14.335
  240   3HD2  LEU  28          2HD2      LEU  28  -6.640   4.442  12.582
  241    H    THR  29           HN       THR  29  -3.698   5.562   9.291
  242    HA   THR  29           HA       THR  29  -2.656   8.046   8.460
  243    HB   THR  29           HB       THR  29  -1.347   5.885   8.631
  244    HG1  THR  29           HG1      THR  29  -1.185   7.538   6.318
  245   1HG2  THR  29          2HG2      THR  29  -2.842   4.441   7.322
  246   2HG2  THR  29          1HG2      THR  29  -2.517   5.411   5.883
  247   3HG2  THR  29          3HG2      THR  29  -1.219   4.480   6.631
  248    H    ALA  30           HN       ALA  30  -4.915   5.832   6.911
  249    HA   ALA  30           HA       ALA  30  -4.871   7.102   4.368
  250   1HB   ALA  30           HB1      ALA  30  -5.766   4.842   4.684
  251   2HB   ALA  30           HB2      ALA  30  -6.964   5.908   3.949
  252   3HB   ALA  30           HB3      ALA  30  -7.080   5.497   5.662
  253    H    LYS  31           HN       LYS  31  -6.781   7.479   7.279
  254    HA   LYS  31           HA       LYS  31  -8.561   9.432   6.239
  255   1HB   LYS  31           HB2      LYS  31  -9.026   7.967   8.198
  256   2HB   LYS  31           HB1      LYS  31  -7.811   8.868   9.107
  257   1HG   LYS  31           HG2      LYS  31  -9.126  10.824   9.111
  258   2HG   LYS  31           HG1      LYS  31 -10.213  10.188   7.874
  259   1HD   LYS  31           HD2      LYS  31  -9.919   8.806  10.519
  260   2HD   LYS  31           HD1      LYS  31 -10.990  10.195  10.346
  261   1HE   LYS  31           HE2      LYS  31 -12.239   8.131  10.067
  262   2HE   LYS  31           HE1      LYS  31 -12.202   9.030   8.554
  263   1HZ   LYS  31           HZ3      LYS  31 -10.417   6.736   9.194
  264   2HZ   LYS  31           HZ2      LYS  31 -11.838   6.626   8.274
  265   3HZ   LYS  31           HZ1      LYS  31 -10.537   7.547   7.706
  266    H    GLN  32           HN       GLN  32  -5.476   9.570   7.935
  267    HA   GLN  32           HA       GLN  32  -5.513  12.347   8.458
  268   1HB   GLN  32           HB2      GLN  32  -3.132  10.526   8.067
  269   2HB   GLN  32           HB1      GLN  32  -3.069  12.148   8.742
  270   1HG   GLN  32           HG2      GLN  32  -4.412   9.734   9.923
  271   2HG   GLN  32           HG1      GLN  32  -2.978  10.566  10.522
  272   1HE2  GLN  32          1HE2      GLN  32  -6.424  10.684  10.183
  273   2HE2  GLN  32          2HE2      GLN  32  -6.706  11.951  11.328
  274    H    LEU  33           HN       LEU  33  -4.596  10.448   5.674
  275    HA   LEU  33           HA       LEU  33  -3.264  12.548   4.294
  276   1HB   LEU  33           HB2      LEU  33  -4.324   9.858   3.602
  277   2HB   LEU  33           HB1      LEU  33  -4.020  10.970   2.282
  278    HG   LEU  33           HG       LEU  33  -1.699  11.059   2.750
  279   1HD1  LEU  33          3HD1      LEU  33  -2.319   9.622   5.329
  280   2HD1  LEU  33          2HD1      LEU  33  -0.692   9.905   4.700
  281   3HD1  LEU  33          1HD1      LEU  33  -1.717  11.269   5.145
  282   1HD2  LEU  33          1HD2      LEU  33  -2.455   9.021   1.615
  283   2HD2  LEU  33          3HD2      LEU  33  -1.016   8.736   2.594
  284   3HD2  LEU  33          2HD2      LEU  33  -2.596   8.212   3.176
  285    H    GLU  34           HN       GLU  34  -6.620  11.359   4.180
  286    HA   GLU  34           HA       GLU  34  -7.332  13.254   2.163
  287   1HB   GLU  34           HB2      GLU  34  -9.707  12.678   2.863
  288   2HB   GLU  34           HB1      GLU  34  -8.714  11.364   2.252
  289   1HG   GLU  34           HG2      GLU  34  -8.269  10.663   4.570
  290   2HG   GLU  34           HG1      GLU  34  -9.316  11.961   5.141
  291    H    ALA  35           HN       ALA  35  -7.456  13.208   5.659
  292    HA   ALA  35           HA       ALA  35  -8.838  15.639   5.987
  293   1HB   ALA  35           HB2      ALA  35  -8.044  15.591   8.281
  294   2HB   ALA  35           HB3      ALA  35  -6.860  14.353   7.860
  295   3HB   ALA  35           HB1      ALA  35  -8.584  13.989   7.780
  296    H    GLU  36           HN       GLU  36  -5.391  14.881   5.722
  297    HA   GLU  36           HA       GLU  36  -4.612  17.622   6.235
  298   1HB   GLU  36           HB2      GLU  36  -3.131  15.072   5.683
  299   2HB   GLU  36           HB1      GLU  36  -2.297  16.618   5.629
  300   1HG   GLU  36           HG2      GLU  36  -3.892  15.766   8.014
  301   2HG   GLU  36           HG1      GLU  36  -2.207  15.292   7.795
  302    H    THR  37           HN       THR  37  -4.401  15.385   3.447
  303    HA   THR  37           HA       THR  37  -3.005  17.414   1.953
  304    HB   THR  37           HB       THR  37  -2.655  15.786   0.244
  305    HG1  THR  37           HG1      THR  37  -4.385  13.994   1.621
  306   1HG2  THR  37          1HG2      THR  37  -1.298  15.504   2.269
  307   2HG2  THR  37          3HG2      THR  37  -2.519  14.421   2.937
  308   3HG2  THR  37          2HG2      THR  37  -1.619  13.954   1.494
  309    H    GLY  38           HN       GLY  38  -6.227  16.319   2.284
  310   1HA   GLY  38           HA1      GLY  38  -7.149  18.026   0.114
  311   2HA   GLY  38           HA2      GLY  38  -8.159  17.172   1.283
  312    H    CYS  39           HN       CYS  39  -5.883  15.071   0.237
  313    HA   CYS  39           HA       CYS  39  -7.425  14.119  -2.052
  314   1HB   CYS  39           HB2      CYS  39  -5.016  14.267  -2.378
  315   2HB   CYS  39           HB1      CYS  39  -4.737  13.268  -0.955
  316    HG   CYS  39           HG       CYS  39  -6.693  11.785  -3.205
  317    H    LYS  40           HN       LYS  40  -8.911  12.663  -1.755
  318    HA   LYS  40           HA       LYS  40  -8.946  11.112   0.688
  319   1HB   LYS  40           HB2      LYS  40 -10.976  12.157  -0.610
  320   2HB   LYS  40           HB1      LYS  40 -10.822  10.742  -1.642
  321   1HG   LYS  40           HG2      LYS  40 -11.346  10.724   1.326
  322   2HG   LYS  40           HG1      LYS  40 -12.531  10.422   0.057
  323   1HD   LYS  40           HD2      LYS  40 -11.124   8.475  -0.666
  324   2HD   LYS  40           HD1      LYS  40 -10.136   8.738   0.774
  325   1HE   LYS  40           HE2      LYS  40 -13.052   7.991   0.644
  326   2HE   LYS  40           HE1      LYS  40 -11.723   7.024   1.279
  327   1HZ   LYS  40           HZ1      LYS  40 -11.420   8.797   2.988
  328   2HZ   LYS  40           HZ3      LYS  40 -12.865   9.502   2.439
  329   3HZ   LYS  40           HZ2      LYS  40 -12.881   7.944   3.108
  330    H    ILE  41           HN       ILE  41  -7.080   9.864   0.421
  331    HA   ILE  41           HA       ILE  41  -6.765   8.215  -1.889
  332    HB   ILE  41           HB       ILE  41  -4.777   8.825  -0.684
  333   1HG1  ILE  41          2HG1      ILE  41  -5.328   5.898  -0.155
  334   2HG1  ILE  41          1HG1      ILE  41  -4.804   6.571  -1.697
  335   1HG2  ILE  41          1HG2      ILE  41  -5.798   9.169   1.528
  336   2HG2  ILE  41          3HG2      ILE  41  -5.938   7.420   1.730
  337   3HG2  ILE  41          2HG2      ILE  41  -4.345   8.173   1.632
  338   1HD1  ILE  41          3HD1      ILE  41  -3.252   6.675   0.880
  339   2HD1  ILE  41          2HD1      ILE  41  -2.948   5.579  -0.471
  340   3HD1  ILE  41          1HD1      ILE  41  -2.727   7.319  -0.677
  341    H    MET  42           HN       MET  42  -7.838   6.429  -2.310
  342    HA   MET  42           HA       MET  42  -9.287   5.122  -0.111
  343   1HB   MET  42           HB2      MET  42 -10.987   4.490  -1.827
  344   2HB   MET  42           HB1      MET  42 -10.889   6.219  -1.530
  345   1HG   MET  42           HG2      MET  42  -9.720   6.584  -3.566
  346   2HG   MET  42           HG1      MET  42  -9.497   4.854  -3.820
  347   1HE   MET  42           HE3      MET  42 -10.847   7.313  -5.699
  348   2HE   MET  42           HE2      MET  42 -10.426   5.728  -6.351
  349   3HE   MET  42           HE1      MET  42 -12.058   6.365  -6.563
  350    H    VAL  43           HN       VAL  43  -9.015   3.017   0.107
  351    HA   VAL  43           HA       VAL  43  -7.143   1.668  -1.592
  352    HB   VAL  43           HB       VAL  43  -8.740   0.136   0.402
  353   1HG1  VAL  43          3HG1      VAL  43  -6.990  -0.917  -0.925
  354   2HG1  VAL  43          2HG1      VAL  43  -5.819   0.251  -0.311
  355   3HG1  VAL  43          1HG1      VAL  43  -6.568  -0.911   0.788
  356   1HG2  VAL  43          2HG2      VAL  43  -6.744   2.278   1.117
  357   2HG2  VAL  43          1HG2      VAL  43  -8.384   2.075   1.728
  358   3HG2  VAL  43          3HG2      VAL  43  -7.125   0.931   2.189
  359    H    ARG  44           HN       ARG  44  -7.614  -0.005  -2.982
  360    HA   ARG  44           HA       ARG  44 -10.408  -0.211  -3.830
  361   1HB   ARG  44           HB2      ARG  44  -8.035   0.527  -5.543
  362   2HB   ARG  44           HB1      ARG  44  -9.508  -0.138  -6.224
  363   1HG   ARG  44           HG2      ARG  44 -10.670   1.845  -5.018
  364   2HG   ARG  44           HG1      ARG  44  -9.047   2.527  -4.957
  365   1HD   ARG  44           HD2      ARG  44  -8.902   2.728  -7.232
  366   2HD   ARG  44           HD1      ARG  44 -10.054   1.423  -7.531
  367    HE   ARG  44           HE       ARG  44 -11.023   3.939  -6.378
  368   1HH1  ARG  44          1HH1      ARG  44 -10.858   1.713  -9.079
  369   2HH1  ARG  44          2HH1      ARG  44 -12.171   2.462  -9.944
  370   1HH2  ARG  44          1HH2      ARG  44 -12.773   4.927  -7.529
  371   2HH2  ARG  44          2HH2      ARG  44 -13.254   4.265  -9.056
  372    H    GLY  45           HN       GLY  45 -10.684  -2.033  -5.437
  373   1HA   GLY  45           HA1      GLY  45  -8.726  -4.148  -5.236
  374   2HA   GLY  45           HA2      GLY  45 -10.292  -4.239  -6.037
  375    H    LYS  46           HN       LYS  46  -9.748  -6.409  -4.680
  376    HA   LYS  46           HA       LYS  46 -11.659  -6.430  -2.566
  377   1HB   LYS  46           HB2      LYS  46 -11.084  -8.773  -2.291
  378   2HB   LYS  46           HB1      LYS  46 -11.207  -8.405  -4.005
  379   1HG   LYS  46           HG2      LYS  46  -8.578  -8.028  -3.672
  380   2HG   LYS  46           HG1      LYS  46  -8.870  -9.218  -2.400
  381   1HD   LYS  46           HD2      LYS  46  -8.360 -10.502  -4.298
  382   2HD   LYS  46           HD1      LYS  46 -10.121 -10.552  -4.196
  383   1HE   LYS  46           HE2      LYS  46 -10.088  -8.537  -5.771
  384   2HE   LYS  46           HE1      LYS  46  -8.398  -8.944  -6.058
  385   1HZ   LYS  46           HZ3      LYS  46  -9.163 -11.188  -6.742
  386   2HZ   LYS  46           HZ2      LYS  46 -10.763 -10.642  -6.614
  387   3HZ   LYS  46           HZ1      LYS  46  -9.721  -9.938  -7.745
  388    H    GLY  47           HN       GLY  47 -11.410  -6.671  -0.423
  389   1HA   GLY  47           HA1      GLY  47  -8.940  -5.350   0.500
  390   2HA   GLY  47           HA2      GLY  47  -9.971  -6.337   1.541
  391    H    SER  48           HN       SER  48 -11.379  -4.412  -0.910
  392    HA   SER  48           HA       SER  48 -12.137  -2.235   0.793
  393   1HB   SER  48           HB2      SER  48 -13.238  -3.111  -1.889
  394   2HB   SER  48           HB1      SER  48 -13.568  -1.570  -1.095
  395    HG   SER  48           HG       SER  48 -11.114  -2.532  -2.132
  396    H    MET  49           HN       MET  49 -12.858  -5.315   0.883
  397    HA   MET  49           HA       MET  49 -15.718  -5.217   1.480
  398   1HB   MET  49           HB2      MET  49 -14.948  -6.777  -0.353
  399   2HB   MET  49           HB1      MET  49 -13.990  -7.626   0.847
  400   1HG   MET  49           HG2      MET  49 -16.080  -8.141   2.076
  401   2HG   MET  49           HG1      MET  49 -16.988  -7.395   0.760
  402   1HE   MET  49           HE2      MET  49 -17.614 -10.315   1.707
  403   2HE   MET  49           HE1      MET  49 -18.424  -9.560   0.334
  404   3HE   MET  49           HE3      MET  49 -17.731 -11.174   0.172
  405    H    ARG  50           HN       ARG  50 -13.651  -4.312   3.127
  406    HA   ARG  50           HA       ARG  50 -12.833  -6.398   4.938
  407   1HB   ARG  50           HB2      ARG  50 -11.421  -4.685   5.923
  408   2HB   ARG  50           HB1      ARG  50 -11.242  -4.697   4.177
  409   1HG   ARG  50           HG2      ARG  50 -12.856  -2.713   5.772
  410   2HG   ARG  50           HG1      ARG  50 -11.267  -2.432   5.074
  411   1HD   ARG  50           HD2      ARG  50 -12.473  -3.066   2.801
  412   2HD   ARG  50           HD1      ARG  50 -13.934  -2.652   3.719
  413    HE   ARG  50           HE       ARG  50 -11.718  -0.728   3.641
  414   1HH1  ARG  50          1HH1      ARG  50 -14.977  -1.578   2.694
  415   2HH1  ARG  50          2HH1      ARG  50 -15.414   0.048   2.282
  416   1HH2  ARG  50          1HH2      ARG  50 -12.293   1.414   3.112
  417   2HH2  ARG  50          2HH2      ARG  50 -13.901   1.763   2.553
  418    H    ASP  51           HN       ASP  51 -15.391  -4.268   4.638
  419    HA   ASP  51           HA       ASP  51 -15.976  -4.392   7.499
  420   1HB   ASP  51           HB2      ASP  51 -16.785  -2.533   5.279
  421   2HB   ASP  51           HB1      ASP  51 -17.646  -2.566   6.818
  422    H    LYS  52           HN       LYS  52 -17.050  -6.347   7.638
  423    HA   LYS  52           HA       LYS  52 -18.609  -7.499   5.626
  424   1HB   LYS  52           HB2      LYS  52 -17.765  -8.767   7.554
  425   2HB   LYS  52           HB1      LYS  52 -18.832  -7.866   8.622
  426   1HG   LYS  52           HG2      LYS  52 -19.742 -10.055   8.164
  427   2HG   LYS  52           HG1      LYS  52 -20.775  -8.807   7.466
  428   1HD   LYS  52           HD2      LYS  52 -19.638  -9.196   5.276
  429   2HD   LYS  52           HD1      LYS  52 -18.788 -10.555   6.015
  430   1HE   LYS  52           HE2      LYS  52 -20.709 -11.375   4.816
  431   2HE   LYS  52           HE1      LYS  52 -20.971 -11.580   6.548
  432   1HZ   LYS  52           HZ2      LYS  52 -22.280  -9.493   6.501
  433   2HZ   LYS  52           HZ1      LYS  52 -22.123  -9.461   4.807
  434   3HZ   LYS  52           HZ3      LYS  52 -22.954 -10.730   5.563
  435    H    LYS  53           HN       LYS  53 -19.493  -5.447   8.343
  436    HA   LYS  53           HA       LYS  53 -22.242  -5.353   7.870
  437   1HB   LYS  53           HB2      LYS  53 -22.180  -3.192   9.091
  438   2HB   LYS  53           HB1      LYS  53 -21.324  -4.482   9.922
  439   1HG   LYS  53           HG2      LYS  53 -19.198  -3.564   8.961
  440   2HG   LYS  53           HG1      LYS  53 -20.139  -2.184   8.388
  441   1HD   LYS  53           HD2      LYS  53 -20.841  -1.733  10.704
  442   2HD   LYS  53           HD1      LYS  53 -19.838  -3.076  11.255
  443   1HE   LYS  53           HE2      LYS  53 -17.858  -1.931  10.315
  444   2HE   LYS  53           HE1      LYS  53 -18.886  -0.570   9.868
  445   1HZ   LYS  53           HZ3      LYS  53 -19.484  -0.446  12.300
  446   2HZ   LYS  53           HZ2      LYS  53 -18.204  -1.522  12.592
  447   3HZ   LYS  53           HZ1      LYS  53 -17.895  -0.005  11.907
  448    H    LYS  54           HN       LYS  54 -19.575  -3.542   6.408
  449    HA   LYS  54           HA       LYS  54 -21.151  -1.543   5.244
  450   1HB   LYS  54           HB2      LYS  54 -18.611  -1.610   5.624
  451   2HB   LYS  54           HB1      LYS  54 -18.559  -2.427   4.081
  452   1HG   LYS  54           HG2      LYS  54 -19.399  -0.567   2.929
  453   2HG   LYS  54           HG1      LYS  54 -19.877   0.238   4.429
  454   1HD   LYS  54           HD2      LYS  54 -17.036  -0.519   3.870
  455   2HD   LYS  54           HD1      LYS  54 -17.709   1.012   3.294
  456   1HE   LYS  54           HE2      LYS  54 -18.206   1.698   5.548
  457   2HE   LYS  54           HE1      LYS  54 -17.747   0.117   6.179
  458   1HZ   LYS  54           HZ3      LYS  54 -15.861   1.941   4.786
  459   2HZ   LYS  54           HZ2      LYS  54 -16.043   1.883   6.469
  460   3HZ   LYS  54           HZ1      LYS  54 -15.481   0.516   5.635
  461    H    GLU  55           HN       GLU  55 -20.083  -4.671   4.079
  462    HA   GLU  55           HA       GLU  55 -21.088  -4.264   1.431
  463   1HB   GLU  55           HB2      GLU  55 -20.515  -6.602   1.062
  464   2HB   GLU  55           HB1      GLU  55 -19.200  -5.768   1.883
  465   1HG   GLU  55           HG2      GLU  55 -19.203  -7.534   3.231
  466   2HG   GLU  55           HG1      GLU  55 -20.602  -6.750   3.987
  467    H    GLU  56           HN       GLU  56 -22.422  -5.226   4.408
  468    HA   GLU  56           HA       GLU  56 -24.697  -6.584   3.384
  469   1HB   GLU  56           HB2      GLU  56 -24.069  -5.356   6.051
  470   2HB   GLU  56           HB1      GLU  56 -25.650  -6.049   5.704
  471   1HG   GLU  56           HG2      GLU  56 -24.688  -8.197   5.288
  472   2HG   GLU  56           HG1      GLU  56 -23.058  -7.540   5.408
  473    H    GLN  57           HN       GLN  57 -24.426  -3.225   4.732
  474    HA   GLN  57           HA       GLN  57 -26.964  -2.716   3.330
  475   1HB   GLN  57           HB2      GLN  57 -27.401  -0.890   4.821
  476   2HB   GLN  57           HB1      GLN  57 -26.965  -2.294   5.783
  477   1HG   GLN  57           HG2      GLN  57 -24.995  -0.145   5.067
  478   2HG   GLN  57           HG1      GLN  57 -26.008  -0.076   6.500
  479   1HE2  GLN  57          1HE2      GLN  57 -23.066  -0.297   6.132
  480   2HE2  GLN  57          2HE2      GLN  57 -22.602  -1.722   7.007
  481    H    ASN  58           HN       ASN  58 -23.675  -1.497   3.652
  482    HA   ASN  58           HA       ASN  58 -24.254   0.836   2.021
  483   1HB   ASN  58           HB2      ASN  58 -21.639  -0.165   3.163
  484   2HB   ASN  58           HB1      ASN  58 -21.861   1.374   2.341
  485   1HD2  ASN  58          1HD2      ASN  58 -24.414   1.970   3.499
  486   2HD2  ASN  58          2HD2      ASN  58 -24.130   2.353   5.169
  487    H    ARG  59           HN       ARG  59 -23.789  -2.280   1.390
  488    HA   ARG  59           HA       ARG  59 -22.008  -2.714  -0.564
  489   1HB   ARG  59           HB2      ARG  59 -23.630  -4.302  -1.574
  490   2HB   ARG  59           HB1      ARG  59 -23.476  -4.459   0.170
  491   1HG   ARG  59           HG2      ARG  59 -25.555  -3.192   0.460
  492   2HG   ARG  59           HG1      ARG  59 -25.710  -3.071  -1.295
  493   1HD   ARG  59           HD2      ARG  59 -25.894  -5.458  -1.493
  494   2HD   ARG  59           HD1      ARG  59 -25.559  -5.665   0.225
  495    HE   ARG  59           HE       ARG  59 -27.939  -4.140  -0.554
  496   1HH1  ARG  59          1HH1      ARG  59 -26.504  -7.051   0.733
  497   2HH1  ARG  59          2HH1      ARG  59 -27.972  -7.642   1.442
  498   1HH2  ARG  59          1HH2      ARG  59 -29.914  -4.920   0.357
  499   2HH2  ARG  59          2HH2      ARG  59 -29.915  -6.425   1.224
  500    H    GLY  60           HN       GLY  60 -21.850  -2.477  -2.761
  501   1HA   GLY  60           HA1      GLY  60 -23.901  -0.925  -4.171
  502   2HA   GLY  60           HA2      GLY  60 -22.609  -1.856  -4.924
  503    H    LYS  61           HN       LYS  61 -21.949   0.273  -2.249
  504    HA   LYS  61           HA       LYS  61 -21.301   2.522  -3.907
  505   1HB   LYS  61           HB2      LYS  61 -20.711   3.665  -1.946
  506   2HB   LYS  61           HB1      LYS  61 -22.053   2.629  -1.490
  507   1HG   LYS  61           HG2      LYS  61 -20.664   1.178  -0.288
  508   2HG   LYS  61           HG1      LYS  61 -19.201   1.825  -1.041
  509   1HD   LYS  61           HD2      LYS  61 -19.426   2.663   1.225
  510   2HD   LYS  61           HD1      LYS  61 -19.598   3.972   0.053
  511   1HE   LYS  61           HE2      LYS  61 -22.121   3.549   0.244
  512   2HE   LYS  61           HE1      LYS  61 -21.724   2.629   1.695
  513   1HZ   LYS  61           HZ2      LYS  61 -20.472   4.767   2.366
  514   2HZ   LYS  61           HZ1      LYS  61 -21.440   5.519   1.193
  515   3HZ   LYS  61           HZ3      LYS  61 -22.165   4.730   2.510
  516    HA   PRO  62           HA       PRO  62 -17.114   2.905  -5.247
  517   1HB   PRO  62           HB2      PRO  62 -16.763   3.510  -2.322
  518   2HB   PRO  62           HB1      PRO  62 -15.771   4.095  -3.651
  519   1HG   PRO  62           HG2      PRO  62 -17.835   5.539  -2.817
  520   2HG   PRO  62           HG1      PRO  62 -17.541   5.364  -4.560
  521   1HD   PRO  62           HD2      PRO  62 -19.742   4.293  -2.968
  522   2HD   PRO  62           HD1      PRO  62 -19.551   4.316  -4.735
  523    H    ASN  63           HN       ASN  63 -17.186   1.239  -2.076
  524    HA   ASN  63           HA       ASN  63 -14.598   0.078  -2.571
  525   1HB   ASN  63           HB2      ASN  63 -16.088  -1.319  -0.563
  526   2HB   ASN  63           HB1      ASN  63 -14.633  -0.351  -0.379
  527   1HD2  ASN  63          1HD2      ASN  63 -17.270  -0.778   1.019
  528   2HD2  ASN  63          2HD2      ASN  63 -17.865   0.832   1.296
  529    H    TRP  64           HN       TRP  64 -17.894  -0.791  -2.833
  530    HA   TRP  64           HA       TRP  64 -17.376  -3.545  -3.553
  531   1HB   TRP  64           HB2      TRP  64 -20.021  -2.138  -3.682
  532   2HB   TRP  64           HB1      TRP  64 -19.699  -3.836  -3.313
  533    HD1  TRP  64           HD1      TRP  64 -20.555  -0.705  -1.630
  534    HE1  TRP  64           HE1      TRP  64 -20.039  -0.803   0.882
  535    HE3  TRP  64           HE3      TRP  64 -17.695  -4.908  -1.585
  536    HZ2  TRP  64           HZ2      TRP  64 -18.555  -2.437   2.647
  537    HZ3  TRP  64           HZ3      TRP  64 -16.756  -5.664   0.549
  538    HH2  TRP  64           HH2      TRP  64 -17.185  -4.461   2.621
  539    H    GLU  65           HN       GLU  65 -17.904  -0.447  -4.882
  540    HA   GLU  65           HA       GLU  65 -18.373  -1.044  -7.561
  541   1HB   GLU  65           HB2      GLU  65 -18.484   1.217  -7.153
  542   2HB   GLU  65           HB1      GLU  65 -17.098   1.195  -6.066
  543   1HG   GLU  65           HG2      GLU  65 -15.654   0.804  -8.073
  544   2HG   GLU  65           HG1      GLU  65 -17.070   1.098  -9.073
  545    H    HIS  66           HN       HIS  66 -15.311  -0.446  -5.881
  546    HA   HIS  66           HA       HIS  66 -13.864  -1.575  -8.136
  547   1HB   HIS  66           HB2      HIS  66 -11.823  -0.700  -6.978
  548   2HB   HIS  66           HB1      HIS  66 -12.988   0.523  -7.473
  549    HD1  HIS  66           HD1      HIS  66 -13.125   2.304  -5.783
  550    HD2  HIS  66           HD2      HIS  66 -12.500  -1.420  -4.059
  551    HE1  HIS  66           HE1      HIS  66 -12.871   2.737  -3.319
  552    HE2  HIS  66           HE2      HIS  66 -12.208   0.504  -2.354
  553    H    LEU  67           HN       LEU  67 -15.181  -2.832  -5.421
  554    HA   LEU  67           HA       LEU  67 -13.236  -4.596  -4.442
  555   1HB   LEU  67           HB2      LEU  67 -15.473  -4.325  -3.440
  556   2HB   LEU  67           HB1      LEU  67 -16.191  -5.085  -4.847
  557    HG   LEU  67           HG       LEU  67 -14.964  -7.179  -4.287
  558   1HD1  LEU  67          3HD1      LEU  67 -14.237  -5.647  -1.800
  559   2HD1  LEU  67          2HD1      LEU  67 -14.015  -7.381  -2.030
  560   3HD1  LEU  67          1HD1      LEU  67 -13.127  -6.236  -3.037
  561   1HD2  LEU  67          3HD2      LEU  67 -16.773  -6.075  -2.143
  562   2HD2  LEU  67          2HD2      LEU  67 -17.280  -6.896  -3.621
  563   3HD2  LEU  67          1HD2      LEU  67 -16.387  -7.780  -2.381
  564    H    ASN  68           HN       ASN  68 -14.658  -4.324  -7.454
  565    HA   ASN  68           HA       ASN  68 -14.355  -7.106  -8.226
  566   1HB   ASN  68           HB2      ASN  68 -15.187  -4.716  -9.898
  567   2HB   ASN  68           HB1      ASN  68 -15.412  -6.418 -10.305
  568   1HD2  ASN  68          1HD2      ASN  68 -16.481  -3.777  -8.303
  569   2HD2  ASN  68          2HD2      ASN  68 -17.925  -4.520  -7.689
  570    H    GLU  69           HN       GLU  69 -12.248  -4.803  -7.665
  571    HA   GLU  69           HA       GLU  69 -10.484  -5.410  -9.948
  572   1HB   GLU  69           HB2      GLU  69 -10.195  -3.241  -7.853
  573   2HB   GLU  69           HB1      GLU  69  -9.189  -3.450  -9.279
  574   1HG   GLU  69           HG2      GLU  69 -11.075  -2.894 -10.711
  575   2HG   GLU  69           HG1      GLU  69 -12.118  -2.743  -9.297
  576    H    ASP  70           HN       ASP  70  -8.066  -5.334  -9.122
  577    HA   ASP  70           HA       ASP  70  -7.857  -7.048  -6.770
  578   1HB   ASP  70           HB2      ASP  70  -6.101  -6.536  -9.102
  579   2HB   ASP  70           HB1      ASP  70  -5.300  -6.875  -7.571
  580    H    LEU  71           HN       LEU  71  -6.568  -6.554  -5.012
  581    HA   LEU  71           HA       LEU  71  -7.099  -4.042  -4.007
  582   1HB   LEU  71           HB2      LEU  71  -6.701  -6.061  -2.653
  583   2HB   LEU  71           HB1      LEU  71  -4.997  -5.982  -3.050
  584    HG   LEU  71           HG       LEU  71  -4.698  -3.980  -1.784
  585   1HD1  LEU  71          1HD1      LEU  71  -6.781  -2.867  -2.387
  586   2HD1  LEU  71          3HD1      LEU  71  -7.682  -3.991  -1.369
  587   3HD1  LEU  71          2HD1      LEU  71  -6.537  -2.867  -0.639
  588   1HD2  LEU  71          1HD2      LEU  71  -4.717  -6.064  -0.512
  589   2HD2  LEU  71          3HD2      LEU  71  -5.346  -4.723   0.447
  590   3HD2  LEU  71          2HD2      LEU  71  -6.457  -5.895  -0.259
  591    H    HIS  72           HN       HIS  72  -6.312  -2.177  -4.434
  592    HA   HIS  72           HA       HIS  72  -3.440  -1.784  -4.396
  593   1HB   HIS  72           HB2      HIS  72  -3.476  -0.308  -6.376
  594   2HB   HIS  72           HB1      HIS  72  -3.835  -1.978  -6.774
  595    HD1  HIS  72           HD1      HIS  72  -6.265  -2.539  -7.521
  596    HD2  HIS  72           HD2      HIS  72  -5.533   1.520  -6.956
  597    HE1  HIS  72           HE1      HIS  72  -8.124  -1.344  -8.711
  598    HE2  HIS  72           HE2      HIS  72  -7.532   1.092  -8.567
  599    H    VAL  73           HN       VAL  73  -2.945   0.612  -4.189
  600    HA   VAL  73           HA       VAL  73  -5.130   1.862  -2.646
  601    HB   VAL  73           HB       VAL  73  -3.399   3.306  -1.626
  602   1HG1  VAL  73          2HG1      VAL  73  -4.106   1.258  -0.499
  603   2HG1  VAL  73          1HG1      VAL  73  -2.842   0.357  -1.334
  604   3HG1  VAL  73          3HG1      VAL  73  -2.410   1.613  -0.174
  605   1HG2  VAL  73          1HG2      VAL  73  -1.737   3.265  -3.400
  606   2HG2  VAL  73          3HG2      VAL  73  -1.029   2.747  -1.871
  607   3HG2  VAL  73          2HG2      VAL  73  -1.439   1.552  -3.102
  608    H    LEU  74           HN       LEU  74  -5.738   3.985  -3.121
  609    HA   LEU  74           HA       LEU  74  -4.592   5.097  -5.577
  610   1HB   LEU  74           HB2      LEU  74  -6.660   3.712  -6.008
  611   2HB   LEU  74           HB1      LEU  74  -7.551   4.876  -5.056
  612    HG   LEU  74           HG       LEU  74  -6.020   5.678  -7.525
  613   1HD1  LEU  74          2HD1      LEU  74  -8.888   4.789  -7.303
  614   2HD1  LEU  74          1HD1      LEU  74  -8.160   5.551  -8.718
  615   3HD1  LEU  74          3HD1      LEU  74  -7.598   3.964  -8.184
  616   1HD2  LEU  74          1HD2      LEU  74  -6.704   7.463  -5.971
  617   2HD2  LEU  74          3HD2      LEU  74  -7.534   7.565  -7.523
  618   3HD2  LEU  74          2HD2      LEU  74  -8.377   6.922  -6.114
  619    H    ILE  75           HN       ILE  75  -3.937   7.058  -5.183
  620    HA   ILE  75           HA       ILE  75  -5.279   8.673  -3.179
  621    HB   ILE  75           HB       ILE  75  -3.607  10.432  -4.336
  622   1HG1  ILE  75          2HG1      ILE  75  -2.147   7.817  -4.631
  623   2HG1  ILE  75          1HG1      ILE  75  -2.914   8.650  -5.979
  624   1HG2  ILE  75          1HG2      ILE  75  -3.657   9.879  -1.979
  625   2HG2  ILE  75          3HG2      ILE  75  -2.788   8.378  -2.301
  626   3HG2  ILE  75          2HG2      ILE  75  -2.000   9.933  -2.577
  627   1HD1  ILE  75          1HD1      ILE  75  -0.776   9.851  -4.247
  628   2HD1  ILE  75          3HD1      ILE  75  -0.487   9.045  -5.791
  629   3HD1  ILE  75          2HD1      ILE  75  -1.455  10.521  -5.733
  630    H    THR  76           HN       THR  76  -7.176   9.338  -3.767
  631    HA   THR  76           HA       THR  76  -7.646  10.443  -6.446
  632    HB   THR  76           HB       THR  76  -9.947  10.428  -4.687
  633    HG1  THR  76           HG1      THR  76  -9.159   8.703  -3.593
  634   1HG2  THR  76          1HG2      THR  76  -9.268   8.894  -7.186
  635   2HG2  THR  76          3HG2      THR  76 -10.879   9.046  -6.484
  636   3HG2  THR  76          2HG2      THR  76 -10.050  10.471  -7.111
  637    H    VAL  77           HN       VAL  77  -7.571  12.629  -6.626
  638    HA   VAL  77           HA       VAL  77  -8.117  14.158  -4.171
  639    HB   VAL  77           HB       VAL  77  -5.759  14.231  -5.467
  640   1HG1  VAL  77          3HG1      VAL  77  -6.688  15.161  -7.524
  641   2HG1  VAL  77          2HG1      VAL  77  -7.317  16.541  -6.625
  642   3HG1  VAL  77          1HG1      VAL  77  -5.576  16.293  -6.755
  643   1HG2  VAL  77          1HG2      VAL  77  -6.234  15.200  -3.304
  644   2HG2  VAL  77          3HG2      VAL  77  -5.348  16.338  -4.315
  645   3HG2  VAL  77          2HG2      VAL  77  -7.082  16.544  -4.069
  646    H    GLU  78           HN       GLU  78  -9.526  15.710  -4.182
  647    HA   GLU  78           HA       GLU  78 -10.804  16.527  -6.700
  648   1HB   GLU  78           HB2      GLU  78 -11.866  16.447  -3.866
  649   2HB   GLU  78           HB1      GLU  78 -12.696  17.266  -5.183
  650   1HG   GLU  78           HG2      GLU  78 -11.959  14.374  -5.384
  651   2HG   GLU  78           HG1      GLU  78 -13.427  14.894  -4.552
  652    H    ASP  79           HN       ASP  79  -9.486  18.246  -7.238
  653    HA   ASP  79           HA       ASP  79  -9.647  20.688  -5.810
  654   1HB   ASP  79           HB2      ASP  79  -8.183  19.407  -4.240
  655   2HB   ASP  79           HB1      ASP  79  -7.013  19.208  -5.539
  656    H    ALA  80           HN       ALA  80  -7.648  22.172  -6.630
  657    HA   ALA  80           HA       ALA  80  -7.592  22.129  -9.481
  658   1HB   ALA  80           HB2      ALA  80  -7.444  24.216  -8.190
  659   2HB   ALA  80           HB3      ALA  80  -6.070  24.023  -9.278
  660   3HB   ALA  80           HB1      ALA  80  -5.880  23.705  -7.554
  661    H    GLN  81           HN       GLN  81  -5.871  20.539  -7.062
  662    HA   GLN  81           HA       GLN  81  -4.806  18.553  -7.426
  663   1HB   GLN  81           HB2      GLN  81  -5.470  18.460  -9.770
  664   2HB   GLN  81           HB1      GLN  81  -4.157  19.551 -10.198
  665   1HG   GLN  81           HG2      GLN  81  -2.533  17.908  -9.437
  666   2HG   GLN  81           HG1      GLN  81  -3.842  16.815  -8.993
  667   1HE2  GLN  81          1HE2      GLN  81  -1.666  16.393 -10.820
  668   2HE2  GLN  81          2HE2      GLN  81  -2.387  16.032 -12.361
  669    H    ASN  82           HN       ASN  82  -3.068  21.405  -8.712
  670    HA   ASN  82           HA       ASN  82  -0.528  20.358  -8.691
  671   1HB   ASN  82           HB2      ASN  82  -1.179  22.574  -9.610
  672   2HB   ASN  82           HB1      ASN  82  -1.220  23.209  -7.968
  673   1HD2  ASN  82          1HD2      ASN  82   1.122  20.873  -9.139
  674   2HD2  ASN  82          2HD2      ASN  82   2.489  21.929  -9.055
  675    H    ARG  83           HN       ARG  83  -1.803  22.399  -6.039
  676    HA   ARG  83           HA       ARG  83   0.451  21.905  -4.381
  677   1HB   ARG  83           HB2      ARG  83  -0.954  23.913  -4.149
  678   2HB   ARG  83           HB1      ARG  83  -2.304  22.914  -3.631
  679   1HG   ARG  83           HG2      ARG  83  -1.277  23.966  -1.722
  680   2HG   ARG  83           HG1      ARG  83  -1.011  22.223  -1.657
  681   1HD   ARG  83           HD2      ARG  83   1.240  22.536  -2.565
  682   2HD   ARG  83           HD1      ARG  83   0.975  24.278  -2.624
  683    HE   ARG  83           HE       ARG  83   0.509  23.464  -0.006
  684   1HH1  ARG  83          1HH1      ARG  83   3.190  23.609  -2.254
  685   2HH1  ARG  83          2HH1      ARG  83   4.388  23.748  -1.009
  686   1HH2  ARG  83          1HH2      ARG  83   2.073  23.680   1.636
  687   2HH2  ARG  83          2HH2      ARG  83   3.761  23.796   1.214
  688    H    ALA  84           HN       ALA  84  -2.718  20.448  -4.666
  689    HA   ALA  84           HA       ALA  84  -2.615  18.980  -2.249
  690   1HB   ALA  84           HB3      ALA  84  -4.306  18.400  -4.671
  691   2HB   ALA  84           HB2      ALA  84  -4.602  17.885  -3.012
  692   3HB   ALA  84           HB1      ALA  84  -4.706  19.591  -3.434
  693    H    GLU  85           HN       GLU  85  -1.805  18.184  -5.606
  694    HA   GLU  85           HA       GLU  85  -1.463  15.400  -5.147
  695   1HB   GLU  85           HB2      GLU  85  -0.568  15.271  -7.346
  696   2HB   GLU  85           HB1      GLU  85  -1.861  16.455  -7.388
  697   1HG   GLU  85           HG2      GLU  85  -0.173  18.246  -7.252
  698   2HG   GLU  85           HG1      GLU  85   1.088  17.019  -7.358
  699    H    LEU  86           HN       LEU  86   0.710  18.172  -4.965
  700    HA   LEU  86           HA       LEU  86   3.097  16.741  -4.553
  701   1HB   LEU  86           HB2      LEU  86   2.782  19.249  -4.891
  702   2HB   LEU  86           HB1      LEU  86   2.330  19.335  -3.204
  703    HG   LEU  86           HG       LEU  86   4.708  20.001  -3.769
  704   1HD1  LEU  86          3HD1      LEU  86   4.316  17.786  -1.764
  705   2HD1  LEU  86          2HD1      LEU  86   5.675  18.907  -1.807
  706   3HD1  LEU  86          1HD1      LEU  86   4.048  19.507  -1.488
  707   1HD2  LEU  86          1HD2      LEU  86   5.165  18.222  -5.386
  708   2HD2  LEU  86          3HD2      LEU  86   6.339  18.229  -4.071
  709   3HD2  LEU  86          2HD2      LEU  86   5.053  17.025  -4.096
  710    H    LYS  87           HN       LYS  87   0.579  17.820  -2.333
  711    HA   LYS  87           HA       LYS  87   1.855  16.864   0.020
  712   1HB   LYS  87           HB2      LYS  87   0.024  18.677  -0.294
  713   2HB   LYS  87           HB1      LYS  87  -1.101  17.329  -0.227
  714   1HG   LYS  87           HG2      LYS  87  -0.404  16.774   1.995
  715   2HG   LYS  87           HG1      LYS  87   0.904  17.959   1.929
  716   1HD   LYS  87           HD2      LYS  87  -0.714  19.766   1.748
  717   2HD   LYS  87           HD1      LYS  87  -2.039  18.601   1.743
  718   1HE   LYS  87           HE2      LYS  87  -1.809  19.591   3.935
  719   2HE   LYS  87           HE1      LYS  87  -1.398  17.881   3.995
  720   1HZ   LYS  87           HZ2      LYS  87   0.658  20.002   3.734
  721   2HZ   LYS  87           HZ1      LYS  87   0.109  19.437   5.240
  722   3HZ   LYS  87           HZ3      LYS  87   0.874  18.378   4.166
  723    H    LEU  88           HN       LEU  88  -0.678  15.499  -2.091
  724    HA   LEU  88           HA       LEU  88  -1.101  13.223  -0.435
  725   1HB   LEU  88           HB2      LEU  88  -2.263  12.242  -2.415
  726   2HB   LEU  88           HB1      LEU  88  -2.888  13.782  -1.863
  727    HG   LEU  88           HG       LEU  88  -1.390  14.777  -3.762
  728   1HD1  LEU  88          1HD1      LEU  88  -0.227  12.689  -4.293
  729   2HD1  LEU  88          3HD1      LEU  88  -1.766  11.966  -4.754
  730   3HD1  LEU  88          2HD1      LEU  88  -1.119  13.322  -5.678
  731   1HD2  LEU  88          2HD2      LEU  88  -3.924  13.247  -4.315
  732   2HD2  LEU  88          1HD2      LEU  88  -3.795  14.917  -3.765
  733   3HD2  LEU  88          3HD2      LEU  88  -3.225  14.473  -5.374
  734    H    LYS  89           HN       LYS  89   1.119  13.868  -3.098
  735    HA   LYS  89           HA       LYS  89   1.750  11.136  -3.505
  736   1HB   LYS  89           HB2      LYS  89   3.658  11.878  -4.824
  737   2HB   LYS  89           HB1      LYS  89   2.211  12.770  -5.255
  738   1HG   LYS  89           HG2      LYS  89   3.752  14.445  -5.231
  739   2HG   LYS  89           HG1      LYS  89   3.165  14.535  -3.572
  740   1HD   LYS  89           HD2      LYS  89   5.548  14.676  -3.523
  741   2HD   LYS  89           HD1      LYS  89   5.086  13.094  -2.894
  742   1HE   LYS  89           HE2      LYS  89   5.548  12.106  -5.101
  743   2HE   LYS  89           HE1      LYS  89   6.064  13.689  -5.685
  744   1HZ   LYS  89           HZ2      LYS  89   7.775  13.666  -3.905
  745   2HZ   LYS  89           HZ1      LYS  89   7.336  12.065  -3.546
  746   3HZ   LYS  89           HZ3      LYS  89   7.984  12.451  -5.065
  747    H    ARG  90           HN       ARG  90   3.190  13.625  -1.442
  748    HA   ARG  90           HA       ARG  90   5.361  11.987  -0.615
  749   1HB   ARG  90           HB2      ARG  90   5.580  13.574   1.301
  750   2HB   ARG  90           HB1      ARG  90   5.582  14.342  -0.277
  751   1HG   ARG  90           HG2      ARG  90   3.501  15.290   0.030
  752   2HG   ARG  90           HG1      ARG  90   3.039  14.124   1.270
  753   1HD   ARG  90           HD2      ARG  90   5.238  16.140   1.665
  754   2HD   ARG  90           HD1      ARG  90   3.552  16.475   2.064
  755    HE   ARG  90           HE       ARG  90   3.837  14.312   3.473
  756   1HH1  ARG  90          1HH1      ARG  90   6.260  16.782   2.994
  757   2HH1  ARG  90          2HH1      ARG  90   6.994  16.549   4.550
  758   1HH2  ARG  90          1HH2      ARG  90   4.770  13.998   5.519
  759   2HH2  ARG  90          2HH2      ARG  90   6.128  14.979   6.006
  760    H    ALA  91           HN       ALA  91   2.121  12.520   0.595
  761    HA   ALA  91           HA       ALA  91   2.379  10.983   2.961
  762   1HB   ALA  91           HB2      ALA  91  -0.091  11.615   1.357
  763   2HB   ALA  91           HB1      ALA  91  -0.045  11.060   3.030
  764   3HB   ALA  91           HB3      ALA  91   0.608  12.646   2.610
  765    H    VAL  92           HN       VAL  92   1.118  10.253  -0.274
  766    HA   VAL  92           HA       VAL  92   0.439   7.573   0.332
  767    HB   VAL  92           HB       VAL  92  -0.418   9.038  -1.597
  768   1HG1  VAL  92          2HG1      VAL  92   2.070   7.933  -2.887
  769   2HG1  VAL  92          1HG1      VAL  92   0.741   8.723  -3.739
  770   3HG1  VAL  92          3HG1      VAL  92   1.712   9.637  -2.577
  771   1HG2  VAL  92          3HG2      VAL  92  -1.082   6.728  -1.226
  772   2HG2  VAL  92          2HG2      VAL  92  -0.913   7.062  -2.950
  773   3HG2  VAL  92          1HG2      VAL  92   0.343   6.165  -2.098
  774    H    GLU  93           HN       GLU  93   3.374   9.124  -0.790
  775    HA   GLU  93           HA       GLU  93   4.749   6.776  -1.493
  776   1HB   GLU  93           HB2      GLU  93   5.587   9.530  -0.704
  777   2HB   GLU  93           HB1      GLU  93   6.787   8.262  -0.841
  778   1HG   GLU  93           HG2      GLU  93   6.024   7.838  -3.155
  779   2HG   GLU  93           HG1      GLU  93   4.905   9.187  -2.994
  780    H    GLU  94           HN       GLU  94   4.262   8.383   1.598
  781    HA   GLU  94           HA       GLU  94   5.806   6.621   3.155
  782   1HB   GLU  94           HB2      GLU  94   3.247   8.078   3.833
  783   2HB   GLU  94           HB1      GLU  94   4.214   7.199   5.009
  784   1HG   GLU  94           HG2      GLU  94   5.146   9.556   3.386
  785   2HG   GLU  94           HG1      GLU  94   4.633   9.603   5.073
  786    H    VAL  95           HN       VAL  95   2.514   6.370   1.888
  787    HA   VAL  95           HA       VAL  95   1.948   3.847   3.039
  788    HB   VAL  95           HB       VAL  95   0.879   4.956   0.436
  789   1HG1  VAL  95          1HG1      VAL  95   0.615   2.486   0.738
  790   2HG1  VAL  95          3HG1      VAL  95  -0.278   2.810   2.223
  791   3HG1  VAL  95          2HG1      VAL  95  -0.916   3.362   0.676
  792   1HG2  VAL  95          2HG2      VAL  95   0.430   6.444   2.317
  793   2HG2  VAL  95          1HG2      VAL  95  -1.052   5.666   1.764
  794   3HG2  VAL  95          3HG2      VAL  95  -0.254   5.099   3.230
  795    H    LYS  96           HN       LYS  96   3.545   4.801   0.012
  796    HA   LYS  96           HA       LYS  96   3.950   2.272  -1.115
  797   1HB   LYS  96           HB2      LYS  96   5.864   4.629  -1.097
  798   2HB   LYS  96           HB1      LYS  96   5.970   3.245  -2.173
  799   1HG   LYS  96           HG2      LYS  96   3.700   5.212  -2.069
  800   2HG   LYS  96           HG1      LYS  96   4.991   5.182  -3.271
  801   1HD   LYS  96           HD2      LYS  96   3.091   2.901  -2.769
  802   2HD   LYS  96           HD1      LYS  96   2.856   4.127  -4.015
  803   1HE   LYS  96           HE2      LYS  96   5.169   2.198  -3.805
  804   2HE   LYS  96           HE1      LYS  96   3.850   2.131  -4.974
  805   1HZ   LYS  96           HZ3      LYS  96   4.707   4.538  -5.513
  806   2HZ   LYS  96           HZ2      LYS  96   6.159   3.931  -4.872
  807   3HZ   LYS  96           HZ1      LYS  96   5.437   3.168  -6.204
  808    H    LYS  97           HN       LYS  97   5.530   3.821   1.578
  809    HA   LYS  97           HA       LYS  97   7.566   1.828   1.899
  810   1HB   LYS  97           HB2      LYS  97   7.897   4.070   2.753
  811   2HB   LYS  97           HB1      LYS  97   6.446   3.953   3.733
  812   1HG   LYS  97           HG2      LYS  97   7.863   1.854   4.682
  813   2HG   LYS  97           HG1      LYS  97   9.160   2.971   4.246
  814   1HD   LYS  97           HD2      LYS  97   6.815   3.508   6.061
  815   2HD   LYS  97           HD1      LYS  97   8.517   3.399   6.522
  816   1HE   LYS  97           HE2      LYS  97   9.039   5.395   5.292
  817   2HE   LYS  97           HE1      LYS  97   7.413   5.458   4.614
  818   1HZ   LYS  97           HZ3      LYS  97   6.584   5.745   6.922
  819   2HZ   LYS  97           HZ2      LYS  97   8.191   5.887   7.444
  820   3HZ   LYS  97           HZ1      LYS  97   7.547   7.027   6.369
  821    H    LEU  98           HN       LEU  98   4.267   2.282   2.873
  822    HA   LEU  98           HA       LEU  98   4.409   0.299   4.966
  823   1HB   LEU  98           HB2      LEU  98   2.654   2.457   4.273
  824   2HB   LEU  98           HB1      LEU  98   1.729   0.984   4.523
  825    HG   LEU  98           HG       LEU  98   1.869   2.278   6.581
  826   1HD1  LEU  98          1HD1      LEU  98   3.528  -0.237   6.680
  827   2HD1  LEU  98          3HD1      LEU  98   2.757   0.540   8.062
  828   3HD1  LEU  98          2HD1      LEU  98   1.768  -0.141   6.768
  829   1HD2  LEU  98          3HD2      LEU  98   4.852   1.941   6.313
  830   2HD2  LEU  98          2HD2      LEU  98   3.956   3.451   6.168
  831   3HD2  LEU  98          1HD2      LEU  98   4.017   2.605   7.714
  832    H    LEU  99           HN       LEU  99   2.847   0.563   1.767
  833    HA   LEU  99           HA       LEU  99   1.479  -1.864   1.990
  834   1HB   LEU  99           HB2      LEU  99   1.026  -1.820  -0.372
  835   2HB   LEU  99           HB1      LEU  99   0.663  -0.309   0.392
  836    HG   LEU  99           HG       LEU  99   1.955  -0.662  -1.959
  837   1HD1  LEU  99          1HD1      LEU  99   0.653   1.220  -1.292
  838   2HD1  LEU  99          3HD1      LEU  99   1.942   1.737  -0.206
  839   3HD1  LEU  99          2HD1      LEU  99   2.215   1.722  -1.948
  840   1HD2  LEU  99          2HD2      LEU  99   4.027  -1.312  -0.865
  841   2HD2  LEU  99          1HD2      LEU  99   4.187   0.216  -1.738
  842   3HD2  LEU  99          3HD2      LEU  99   4.021   0.215   0.019
  843    H    VAL 100           HN       VAL 100   4.547  -1.822   2.319
  844    HA   VAL 100           HA       VAL 100   5.391  -3.921   0.551
  845    HB   VAL 100           HB       VAL 100   6.537  -2.985   3.191
  846   1HG1  VAL 100          2HG1      VAL 100   7.273  -5.250   2.673
  847   2HG1  VAL 100          1HG1      VAL 100   7.784  -4.730   1.068
  848   3HG1  VAL 100          3HG1      VAL 100   8.603  -4.107   2.501
  849   1HG2  VAL 100          2HG2      VAL 100   6.522  -1.230   1.505
  850   2HG2  VAL 100          1HG2      VAL 100   8.168  -1.774   1.824
  851   3HG2  VAL 100          3HG2      VAL 100   7.332  -2.301   0.364
  852    HA   PRO 101           HA       PRO 101   3.264  -7.232   2.671
  853   1HB   PRO 101           HB2      PRO 101   4.707  -9.308   1.697
  854   2HB   PRO 101           HB1      PRO 101   3.512  -8.433   0.732
  855   1HG   PRO 101           HG2      PRO 101   6.491  -8.071   0.823
  856   2HG   PRO 101           HG1      PRO 101   5.429  -8.199  -0.594
  857   1HD   PRO 101           HD2      PRO 101   6.285  -5.821   0.280
  858   2HD   PRO 101           HD1      PRO 101   4.632  -6.026  -0.344
  859    H    ALA 102           HN       ALA 102   6.336  -6.233   3.322
  860    HA   ALA 102           HA       ALA 102   7.437  -6.189   5.290
  861   1HB   ALA 102           HB2      ALA 102   6.557  -7.211   7.288
  862   2HB   ALA 102           HB3      ALA 102   5.422  -8.166   6.333
  863   3HB   ALA 102           HB1      ALA 102   5.259  -6.412   6.402
  864    H    ALA 103           HN       ALA 103   7.205  -8.788   3.298
  865    HA   ALA 103           HA       ALA 103   8.905 -10.591   4.725
  866   1HB   ALA 103           HB2      ALA 103   7.360 -11.402   3.001
  867   2HB   ALA 103           HB1      ALA 103   8.258 -10.504   1.778
  868   3HB   ALA 103           HB3      ALA 103   9.030 -11.838   2.636
  869    H    GLU 104           HN       GLU 104  10.566  -9.190   5.365
  870    HA   GLU 104           HA       GLU 104  12.559  -8.145   5.288
  871   1HB   GLU 104           HB2      GLU 104  13.356 -10.207   4.253
  872   2HB   GLU 104           HB1      GLU 104  12.885  -9.612   2.665
  873   1HG   GLU 104           HG2      GLU 104  14.508  -7.833   2.801
  874   2HG   GLU 104           HG1      GLU 104  14.929  -8.304   4.447
  875    H    GLY 105           HN       GLY 105  11.677  -6.130   5.197
  876   1HA   GLY 105           HA1      GLY 105  10.990  -4.206   3.780
  877   2HA   GLY 105           HA2      GLY 105  12.204  -4.764   2.629
  878    H    GLU 106           HN       GLU 106  14.001  -5.575   4.676
  879    HA   GLU 106           HA       GLU 106  15.556  -5.030   6.170
  880   1HB   GLU 106           HB2      GLU 106  16.949  -3.208   5.712
  881   2HB   GLU 106           HB1      GLU 106  16.290  -3.686   4.155
  882   1HG   GLU 106           HG2      GLU 106  14.883  -1.838   4.057
  883   2HG   GLU 106           HG1      GLU 106  15.082  -1.484   5.773
  884    H    ASP 107           HN       ASP 107  16.266  -3.463   7.904
  885    HA   ASP 107           HA       ASP 107  15.774  -2.907  10.045
  886   1HB   ASP 107           HB2      ASP 107  15.067  -0.820   8.587
  887   2HB   ASP 107           HB1      ASP 107  13.456  -1.249   9.153
  888    H    SER 108           HN       SER 108  14.230  -5.128   8.690
  889    HA   SER 108           HA       SER 108  11.776  -5.401  10.057
  890   1HB   SER 108           HB2      SER 108  13.665  -7.556   9.058
  891   2HB   SER 108           HB1      SER 108  11.962  -7.782   9.466
  892    HG   SER 108           HG       SER 108  11.535  -6.156   7.811
  893    H    LEU 109           HN       LEU 109  14.954  -5.381  11.047
  894    HA   LEU 109           HA       LEU 109  14.813  -7.231  13.211
  895   1HB   LEU 109           HB2      LEU 109  16.801  -5.028  12.641
  896   2HB   LEU 109           HB1      LEU 109  17.008  -6.303  13.820
  897    HG   LEU 109           HG       LEU 109  18.335  -6.940  12.002
  898   1HD1  LEU 109          2HD1      LEU 109  16.970  -8.764  12.858
  899   2HD1  LEU 109          1HD1      LEU 109  15.733  -8.403  11.652
  900   3HD1  LEU 109          3HD1      LEU 109  17.324  -8.969  11.142
  901   1HD2  LEU 109          1HD2      LEU 109  17.290  -5.313  10.387
  902   2HD2  LEU 109          3HD2      LEU 109  17.772  -6.866   9.708
  903   3HD2  LEU 109          2HD2      LEU 109  16.074  -6.550  10.058
  904    H    LYS 110           HN       LYS 110  14.841  -3.659  12.961
  905    HA   LYS 110           HA       LYS 110  14.533  -3.479  15.842
  906   1HB   LYS 110           HB2      LYS 110  14.721  -1.240  13.826
  907   2HB   LYS 110           HB1      LYS 110  14.875  -1.096  15.571
  908   1HG   LYS 110           HG2      LYS 110  16.769  -2.474  13.684
  909   2HG   LYS 110           HG1      LYS 110  17.054  -0.996  14.604
  910   1HD   LYS 110           HD2      LYS 110  16.835  -2.296  16.693
  911   2HD   LYS 110           HD1      LYS 110  16.641  -3.762  15.731
  912   1HE   LYS 110           HE2      LYS 110  18.872  -3.294  14.711
  913   2HE   LYS 110           HE1      LYS 110  19.060  -1.970  15.860
  914   1HZ   LYS 110           HZ2      LYS 110  18.643  -3.715  17.631
  915   2HZ   LYS 110           HZ1      LYS 110  18.898  -4.871  16.414
  916   3HZ   LYS 110           HZ3      LYS 110  20.140  -3.787  16.829
  917    H    LYS 111           HN       LYS 111  12.805  -1.919  13.099
  918    HA   LYS 111           HA       LYS 111  10.779  -1.078  14.961
  919   1HB   LYS 111           HB2      LYS 111   9.835   0.188  13.167
  920   2HB   LYS 111           HB1      LYS 111  11.582   0.354  13.099
  921   1HG   LYS 111           HG2      LYS 111  11.130  -1.763  11.426
  922   2HG   LYS 111           HG1      LYS 111   9.723  -0.741  11.140
  923   1HD   LYS 111           HD2      LYS 111  12.617   0.089  10.952
  924   2HD   LYS 111           HD1      LYS 111  11.507  -0.155   9.607
  925   1HE   LYS 111           HE2      LYS 111  10.219   1.742  10.211
  926   2HE   LYS 111           HE1      LYS 111  11.030   1.880  11.771
  927   1HZ   LYS 111           HZ2      LYS 111  12.412   2.208   9.163
  928   2HZ   LYS 111           HZ1      LYS 111  11.797   3.500  10.074
  929   3HZ   LYS 111           HZ3      LYS 111  13.038   2.531  10.706
  930    H    MET 112           HN       MET 112  11.046  -3.620  12.585
  931    HA   MET 112           HA       MET 112   8.237  -4.180  12.580
  932   1HB   MET 112           HB2      MET 112  10.642  -5.522  11.438
  933   2HB   MET 112           HB1      MET 112   9.147  -6.436  11.581
  934   1HG   MET 112           HG2      MET 112   7.977  -4.799  10.242
  935   2HG   MET 112           HG1      MET 112   9.422  -3.801  10.155
  936   1HE   MET 112           HE3      MET 112   9.237  -7.718   9.965
  937   2HE   MET 112           HE2      MET 112   7.768  -7.209   9.135
  938   3HE   MET 112           HE1      MET 112   9.067  -7.980   8.228
  939    H    LYS 113           HN       LYS 113  10.991  -5.289  14.438
  940    HA   LYS 113           HA       LYS 113   9.589  -7.433  15.688
  941   1HB   LYS 113           HB2      LYS 113  11.974  -7.547  15.675
  942   2HB   LYS 113           HB1      LYS 113  12.120  -5.958  16.410
  943   1HG   LYS 113           HG2      LYS 113  12.613  -7.778  17.979
  944   2HG   LYS 113           HG1      LYS 113  11.247  -6.792  18.497
  945   1HD   LYS 113           HD2      LYS 113   9.971  -8.712  17.073
  946   2HD   LYS 113           HD1      LYS 113  11.344  -9.625  17.705
  947   1HE   LYS 113           HE2      LYS 113   9.493  -7.929  19.378
  948   2HE   LYS 113           HE1      LYS 113   9.335  -9.676  19.178
  949   1HZ   LYS 113           HZ3      LYS 113  11.788  -8.378  20.239
  950   2HZ   LYS 113           HZ2      LYS 113  10.530  -8.937  21.232
  951   3HZ   LYS 113           HZ1      LYS 113  11.397 -10.028  20.262
  952    H    LEU 114           HN       LEU 114   9.991  -4.009  16.407
  953    HA   LEU 114           HA       LEU 114   8.796  -4.345  19.004
  954   1HB   LEU 114           HB2      LEU 114  10.667  -2.776  18.588
  955   2HB   LEU 114           HB1      LEU 114   9.605  -1.823  17.568
  956    HG   LEU 114           HG       LEU 114   8.143  -1.404  19.513
  957   1HD1  LEU 114          2HD1      LEU 114   8.684  -3.430  20.765
  958   2HD1  LEU 114          1HD1      LEU 114  10.315  -2.821  21.051
  959   3HD1  LEU 114          3HD1      LEU 114   8.925  -1.982  21.747
  960   1HD2  LEU 114          3HD2      LEU 114   9.880   0.194  18.906
  961   2HD2  LEU 114          2HD2      LEU 114   9.660   0.140  20.655
  962   3HD2  LEU 114          1HD2      LEU 114  11.041  -0.669  19.913
  963    H    MET 115           HN       MET 115   7.996  -2.448  16.071
  964    HA   MET 115           HA       MET 115   5.389  -1.849  17.214
  965   1HB   MET 115           HB2      MET 115   6.675  -0.037  16.174
  966   2HB   MET 115           HB1      MET 115   6.665  -0.902  14.643
  967   1HG   MET 115           HG2      MET 115   4.261  -0.688  14.501
  968   2HG   MET 115           HG1      MET 115   4.214   0.099  16.076
  969   1HE   MET 115           HE3      MET 115   5.355   0.374  12.340
  970   2HE   MET 115           HE2      MET 115   6.136   1.953  12.308
  971   3HE   MET 115           HE1      MET 115   6.874   0.622  13.203
  972    H    GLU 116           HN       GLU 116   6.659  -3.279  14.199
  973    HA   GLU 116           HA       GLU 116   4.122  -3.913  13.161
  974   1HB   GLU 116           HB2      GLU 116   6.812  -5.080  12.491
  975   2HB   GLU 116           HB1      GLU 116   5.344  -5.323  11.551
  976   1HG   GLU 116           HG2      GLU 116   6.747  -2.711  12.049
  977   2HG   GLU 116           HG1      GLU 116   6.699  -3.613  10.538
  978    H    LEU 117           HN       LEU 117   5.871  -5.368  15.632
  979    HA   LEU 117           HA       LEU 117   5.082  -8.067  15.348
  980   1HB   LEU 117           HB2      LEU 117   6.707  -6.675  17.050
  981   2HB   LEU 117           HB1      LEU 117   5.343  -7.024  18.090
  982    HG   LEU 117           HG       LEU 117   7.212  -8.676  18.253
  983   1HD1  LEU 117          2HD1      LEU 117   4.937  -9.291  18.901
  984   2HD1  LEU 117          1HD1      LEU 117   4.599  -9.795  17.246
  985   3HD1  LEU 117          3HD1      LEU 117   5.803 -10.659  18.204
  986   1HD2  LEU 117          2HD2      LEU 117   6.370  -9.331  15.431
  987   2HD2  LEU 117          1HD2      LEU 117   7.938  -8.713  15.954
  988   3HD2  LEU 117          3HD2      LEU 117   7.424 -10.331  16.431
  989    H    ALA 118           HN       ALA 118   3.439  -5.213  16.352
  990    HA   ALA 118           HA       ALA 118   1.247  -4.777  16.745
  991   1HB   ALA 118           HB3      ALA 118   0.800  -7.667  15.998
  992   2HB   ALA 118           HB1      ALA 118   0.783  -6.296  14.891
  993   3HB   ALA 118           HB2      ALA 118  -0.448  -6.432  16.147
  994    H    ILE 119           HN       ILE 119   3.071  -5.749  18.791
  995    HA   ILE 119           HA       ILE 119   1.720  -7.380  20.639
  996    HB   ILE 119           HB       ILE 119   3.280  -6.308  22.337
  997   1HG1  ILE 119          2HG1      ILE 119   5.315  -5.224  21.147
  998   2HG1  ILE 119          1HG1      ILE 119   4.182  -4.873  19.848
  999   1HG2  ILE 119          1HG2      ILE 119   3.726  -8.440  21.285
 1000   2HG2  ILE 119          3HG2      ILE 119   4.461  -7.627  19.904
 1001   3HG2  ILE 119          2HG2      ILE 119   5.221  -7.529  21.493
 1002   1HD1  ILE 119          3HD1      ILE 119   3.935  -3.952  22.703
 1003   2HD1  ILE 119          2HD1      ILE 119   4.451  -2.971  21.330
 1004   3HD1  ILE 119          1HD1      ILE 119   2.803  -3.594  21.401
 1005    H    LEU 120           HN       LEU 120   0.935  -6.687  22.779
 1006    HA   LEU 120           HA       LEU 120  -1.049  -4.643  22.438
 1007   1HB   LEU 120           HB2      LEU 120  -0.347  -6.522  24.668
 1008   2HB   LEU 120           HB1      LEU 120  -1.462  -5.200  24.946
 1009    HG   LEU 120           HG       LEU 120  -2.686  -7.241  24.495
 1010   1HD1  LEU 120          2HD1      LEU 120  -2.834  -5.307  22.192
 1011   2HD1  LEU 120          1HD1      LEU 120  -4.076  -6.480  22.634
 1012   3HD1  LEU 120          3HD1      LEU 120  -3.673  -5.164  23.737
 1013   1HD2  LEU 120          1HD2      LEU 120  -1.223  -7.294  21.858
 1014   2HD2  LEU 120          3HD2      LEU 120  -1.028  -8.441  23.183
 1015   3HD2  LEU 120          2HD2      LEU 120  -2.557  -8.354  22.312
 1016    H    ASN 121           HN       ASN 121  -0.100  -2.697  22.237
 1017    HA   ASN 121           HA       ASN 121   1.747  -1.775  24.290
 1018   1HB   ASN 121           HB2      ASN 121   1.850   0.300  22.807
 1019   2HB   ASN 121           HB1      ASN 121   2.474  -1.189  22.112
 1020   1HD2  ASN 121          1HD2      ASN 121   1.326  -2.195  20.442
 1021   2HD2  ASN 121          2HD2      ASN 121   0.102  -1.361  19.550
 1022    H    GLY 122           HN       GLY 122  -0.943  -0.087  22.680
 1023   1HA   GLY 122           HA1      GLY 122  -1.701   1.667  24.564
 1024   2HA   GLY 122           HA2      GLY 122  -2.383   0.167  25.179
 1025    H    THR 123           HN       THR 123  -2.566  -0.587  22.161
 1026    HA   THR 123           HA       THR 123  -4.661   1.151  21.214
 1027    HB   THR 123           HB       THR 123  -3.830  -1.518  20.068
 1028    HG1  THR 123           HG1      THR 123  -2.584   0.990  20.013
 1029   1HG2  THR 123          3HG2      THR 123  -5.088   0.929  18.819
 1030   2HG2  THR 123          2HG2      THR 123  -4.615  -0.533  17.957
 1031   3HG2  THR 123          1HG2      THR 123  -5.903  -0.598  19.159
 1032    H    TYR 124           HN       TYR 124  -4.432  -2.278  22.133
 1033    HA   TYR 124           HA       TYR 124  -7.348  -2.311  22.543
 1034   1HB   TYR 124           HB2      TYR 124  -5.428  -4.614  22.144
 1035   2HB   TYR 124           HB1      TYR 124  -7.157  -4.770  22.406
 1036    HD1  TYR 124           HD1      TYR 124  -8.743  -4.166  20.628
 1037    HD2  TYR 124           HD2      TYR 124  -4.538  -3.953  20.008
 1038    HE1  TYR 124           HE1      TYR 124  -9.110  -4.080  18.197
 1039    HE2  TYR 124           HE2      TYR 124  -4.894  -3.860  17.577
 1040    HH   TYR 124           HH       TYR 124  -6.530  -4.432  15.930
 1041    H    ARG 125           HN       ARG 125  -8.040  -2.314  24.560
 1042    HA   ARG 125           HA       ARG 125  -6.200  -2.802  26.751
 1043   1HB   ARG 125           HB2      ARG 125  -7.692  -0.843  26.801
 1044   2HB   ARG 125           HB1      ARG 125  -9.088  -1.905  26.729
 1045   1HG   ARG 125           HG2      ARG 125  -8.806  -1.136  28.977
 1046   2HG   ARG 125           HG1      ARG 125  -8.424  -2.856  28.914
 1047   1HD   ARG 125           HD2      ARG 125  -6.269  -0.789  28.666
 1048   2HD   ARG 125           HD1      ARG 125  -6.878  -1.272  30.247
 1049    HE   ARG 125           HE       ARG 125  -6.253  -3.616  29.485
 1050   1HH1  ARG 125          1HH1      ARG 125  -4.591  -0.755  28.333
 1051   2HH1  ARG 125          2HH1      ARG 125  -3.060  -1.565  28.167
 1052   1HH2  ARG 125          1HH2      ARG 125  -4.253  -4.675  29.253
 1053   2HH2  ARG 125          2HH2      ARG 125  -2.866  -3.801  28.672
 1054    H    ASP 126           HN       ASP 126  -8.792  -4.299  25.062
 1055    HA   ASP 126           HA       ASP 126  -9.315  -6.207  27.198
 1056   1HB   ASP 126           HB2      ASP 126 -11.261  -6.835  25.795
 1057   2HB   ASP 126           HB1      ASP 126 -11.251  -5.128  26.210
 1058    H    ALA 127           HN       ALA 127  -7.946  -6.042  23.976
 1059    HA   ALA 127           HA       ALA 127  -7.794  -8.841  23.529
 1060   1HB   ALA 127           HB1      ALA 127  -7.565  -7.169  21.733
 1061   2HB   ALA 127           HB3      ALA 127  -6.007  -6.690  22.406
 1062   3HB   ALA 127           HB2      ALA 127  -6.228  -8.319  21.766
 1063    H    ASN 128           HN       ASN 128  -6.395  -6.989  25.838
 1064    HA   ASN 128           HA       ASN 128  -3.856  -8.207  26.157
 1065   1HB   ASN 128           HB2      ASN 128  -4.369  -6.139  27.307
 1066   2HB   ASN 128           HB1      ASN 128  -5.747  -6.882  28.120
 1067   1HD2  ASN 128          1HD2      ASN 128  -2.305  -6.505  28.055
 1068   2HD2  ASN 128          2HD2      ASN 128  -1.974  -7.294  29.560
 1069    H    LEU 129           HN       LEU 129  -7.125  -9.047  27.039
 1070    HA   LEU 129           HA       LEU 129  -6.212 -11.332  28.620
 1071   1HB   LEU 129           HB2      LEU 129  -7.933  -9.897  29.602
 1072   2HB   LEU 129           HB1      LEU 129  -8.968 -10.176  28.217
 1073    HG   LEU 129           HG       LEU 129  -9.122 -12.557  28.828
 1074   1HD1  LEU 129          3HD1      LEU 129  -7.556 -11.724  31.260
 1075   2HD1  LEU 129          2HD1      LEU 129  -8.340 -13.287  31.028
 1076   3HD1  LEU 129          1HD1      LEU 129  -7.003 -12.805  29.981
 1077   1HD2  LEU 129          2HD2      LEU 129 -10.817 -10.986  29.583
 1078   2HD2  LEU 129          1HD2      LEU 129 -10.552 -12.249  30.785
 1079   3HD2  LEU 129          3HD2      LEU 129  -9.866 -10.640  31.027
 1080    H    LYS 130           HN       LYS 130  -8.379 -10.605  25.893
 1081    HA   LYS 130           HA       LYS 130  -8.638 -13.433  25.333
 1082   1HB   LYS 130           HB2      LYS 130 -10.275 -12.737  23.630
 1083   2HB   LYS 130           HB1      LYS 130 -10.655 -12.094  25.221
 1084   1HG   LYS 130           HG2      LYS 130  -9.655  -9.939  24.550
 1085   2HG   LYS 130           HG1      LYS 130  -9.399 -10.597  22.933
 1086   1HD   LYS 130           HD2      LYS 130 -11.804 -10.951  22.690
 1087   2HD   LYS 130           HD1      LYS 130 -12.066 -10.308  24.314
 1088   1HE   LYS 130           HE2      LYS 130 -11.018  -8.174  23.558
 1089   2HE   LYS 130           HE1      LYS 130 -10.980  -8.832  21.921
 1090   1HZ   LYS 130           HZ2      LYS 130 -13.446  -8.498  23.542
 1091   2HZ   LYS 130           HZ1      LYS 130 -12.923  -7.409  22.353
 1092   3HZ   LYS 130           HZ3      LYS 130 -13.357  -8.989  21.919
 1093    H    SER 131           HN       SER 131  -7.698 -14.496  23.703
 1094    HA   SER 131           HA       SER 131  -5.688 -13.081  22.148
 1095   1HB   SER 131           HB2      SER 131  -6.337 -16.035  22.317
 1096   2HB   SER 131           HB1      SER 131  -4.942 -15.333  21.498
 1097    HG   SER 131           HG       SER 131  -4.286 -15.983  23.519
 1098    HA   PRO 132           HA       PRO 132  -8.621 -12.833  18.717
 1099   1HB   PRO 132           HB2      PRO 132  -6.264 -11.708  17.336
 1100   2HB   PRO 132           HB1      PRO 132  -7.861 -10.996  17.587
 1101   1HG   PRO 132           HG2      PRO 132  -5.705 -10.107  18.912
 1102   2HG   PRO 132           HG1      PRO 132  -7.306 -10.166  19.675
 1103   1HD   PRO 132           HD2      PRO 132  -4.987 -12.039  19.983
 1104   2HD   PRO 132           HD1      PRO 132  -6.104 -11.416  21.217
 1105    H    ALA 133           HN       ALA 133  -5.214 -13.460  17.940
 1106    HA   ALA 133           HA       ALA 133  -5.823 -16.119  16.981
 1107   1HB   ALA 133           HB1      ALA 133  -6.296 -14.777  15.000
 1108   2HB   ALA 133           HB2      ALA 133  -4.838 -15.740  14.755
 1109   3HB   ALA 133           HB3      ALA 133  -4.710 -14.017  15.117
 1110    H    LEU 134           HN       LEU 134  -4.173 -14.529  18.974
 1111    HA   LEU 134           HA       LEU 134  -1.473 -15.381  18.176
 1112   1HB   LEU 134           HB2      LEU 134  -2.228 -13.295  20.223
 1113   2HB   LEU 134           HB1      LEU 134  -0.617 -13.654  19.633
 1114    HG   LEU 134           HG       LEU 134  -2.844 -12.507  17.949
 1115   1HD1  LEU 134          3HD1      LEU 134  -2.127 -10.933  19.659
 1116   2HD1  LEU 134          2HD1      LEU 134  -0.445 -11.165  19.178
 1117   3HD1  LEU 134          1HD1      LEU 134  -1.588 -10.420  18.059
 1118   1HD2  LEU 134          3HD2      LEU 134  -1.226 -13.809  16.665
 1119   2HD2  LEU 134          2HD2      LEU 134  -1.079 -12.086  16.319
 1120   3HD2  LEU 134          1HD2      LEU 134   0.093 -12.874  17.373

  No H/Q in entry =        1120
  Start of MODEL    9
    1    H1   GLN   1           HT2      GLN   1 -11.533  13.740 -12.098
    2    H2   GLN   1           HT1      GLN   1 -12.284  15.093 -11.400
    3    H3   GLN   1           HT3      GLN   1 -10.990  15.301 -12.477
    4    HA   GLN   1           HA       GLN   1 -10.104  15.656 -10.368
    5   1HB   GLN   1           HB2      GLN   1 -10.458  14.251  -8.492
    6   2HB   GLN   1           HB1      GLN   1 -12.039  14.503  -9.207
    7   1HG   GLN   1           HG2      GLN   1 -11.607  12.264 -10.400
    8   2HG   GLN   1           HG1      GLN   1 -10.337  12.066  -9.200
    9   1HE2  GLN   1          1HE2      GLN   1 -10.893  11.936  -7.011
   10   2HE2  GLN   1          2HE2      GLN   1 -12.489  11.497  -6.506
   11    H    LEU   2           HN       LEU   2  -8.255  14.297  -9.278
   12    HA   LEU   2           HA       LEU   2  -7.049  12.709 -11.427
   13   1HB   LEU   2           HB2      LEU   2  -5.639  14.499 -11.318
   14   2HB   LEU   2           HB1      LEU   2  -6.059  14.865  -9.658
   15    HG   LEU   2           HG       LEU   2  -4.659  12.959  -8.939
   16   1HD1  LEU   2          1HD1      LEU   2  -3.788  12.944 -11.831
   17   2HD1  LEU   2          3HD1      LEU   2  -2.998  12.061 -10.524
   18   3HD1  LEU   2          2HD1      LEU   2  -4.650  11.654 -10.992
   19   1HD2  LEU   2          1HD2      LEU   2  -3.813  15.234  -8.858
   20   2HD2  LEU   2          3HD2      LEU   2  -2.520  14.115  -9.289
   21   3HD2  LEU   2          2HD2      LEU   2  -3.273  15.112 -10.532
   22    H    GLN   3           HN       GLN   3  -6.388  10.685 -10.924
   23    HA   GLN   3           HA       GLN   3  -6.292   9.930  -8.084
   24   1HB   GLN   3           HB2      GLN   3  -7.238   7.924 -10.077
   25   2HB   GLN   3           HB1      GLN   3  -7.567   8.023  -8.352
   26   1HG   GLN   3           HG2      GLN   3  -9.065   9.954  -8.842
   27   2HG   GLN   3           HG1      GLN   3  -8.829   9.628 -10.561
   28   1HE2  GLN   3          1HE2      GLN   3  -8.625   6.710  -9.951
   29   2HE2  GLN   3          2HE2      GLN   3 -10.253   6.174  -9.719
   30    H    GLU   4           HN       GLU   4  -4.478   8.819  -7.560
   31    HA   GLU   4           HA       GLU   4  -3.027   7.548  -9.786
   32   1HB   GLU   4           HB2      GLU   4  -1.667   8.210  -7.205
   33   2HB   GLU   4           HB1      GLU   4  -0.974   8.021  -8.811
   34   1HG   GLU   4           HG2      GLU   4  -2.471  10.144  -9.298
   35   2HG   GLU   4           HG1      GLU   4  -2.274  10.353  -7.559
   36    H    LYS   5           HN       LYS   5  -3.029   5.400  -9.726
   37    HA   LYS   5           HA       LYS   5  -3.840   4.169  -7.180
   38   1HB   LYS   5           HB2      LYS   5  -3.906   2.712  -9.801
   39   2HB   LYS   5           HB1      LYS   5  -4.777   2.356  -8.330
   40   1HG   LYS   5           HG2      LYS   5  -6.449   3.161  -9.679
   41   2HG   LYS   5           HG1      LYS   5  -5.990   4.595  -8.758
   42   1HD   LYS   5           HD2      LYS   5  -4.739   5.465 -10.588
   43   2HD   LYS   5           HD1      LYS   5  -4.890   3.949 -11.493
   44   1HE   LYS   5           HE2      LYS   5  -7.368   4.325 -11.508
   45   2HE   LYS   5           HE1      LYS   5  -7.069   5.920 -10.818
   46   1HZ   LYS   5           HZ2      LYS   5  -5.647   6.383 -12.785
   47   2HZ   LYS   5           HZ1      LYS   5  -6.150   4.908 -13.452
   48   3HZ   LYS   5           HZ3      LYS   5  -7.283   6.140 -13.167
   49    H    LEU   6           HN       LEU   6  -2.339   3.287  -6.095
   50    HA   LEU   6           HA       LEU   6   0.071   2.328  -7.488
   51   1HB   LEU   6           HB2      LEU   6  -0.276   2.865  -4.541
   52   2HB   LEU   6           HB1      LEU   6   1.232   2.646  -5.415
   53    HG   LEU   6           HG       LEU   6  -0.657   4.944  -5.933
   54   1HD1  LEU   6          1HD1      LEU   6   0.177   5.036  -3.627
   55   2HD1  LEU   6          3HD1      LEU   6   1.832   4.944  -4.235
   56   3HD1  LEU   6          2HD1      LEU   6   0.822   6.339  -4.626
   57   1HD2  LEU   6          3HD2      LEU   6   0.854   4.384  -7.768
   58   2HD2  LEU   6          2HD2      LEU   6   1.272   5.936  -7.042
   59   3HD2  LEU   6          1HD2      LEU   6   2.233   4.503  -6.675
   60    H    TYR   7           HN       TYR   7  -0.296   0.316  -8.066
   61    HA   TYR   7           HA       TYR   7  -2.091  -1.416  -6.725
   62   1HB   TYR   7           HB2      TYR   7  -0.460  -1.480  -9.164
   63   2HB   TYR   7           HB1      TYR   7  -0.747  -3.059  -8.432
   64    HD1  TYR   7           HD1      TYR   7  -2.772  -4.156  -8.724
   65    HD2  TYR   7           HD2      TYR   7  -2.506  -0.021  -9.693
   66    HE1  TYR   7           HE1      TYR   7  -5.012  -4.252  -9.722
   67    HE2  TYR   7           HE2      TYR   7  -4.751  -0.112 -10.699
   68    HH   TYR   7           HH       TYR   7  -6.406  -1.515 -11.429
   69    H    VAL   8           HN       VAL   8  -1.832  -3.034  -5.373
   70    HA   VAL   8           HA       VAL   8   0.837  -4.209  -4.988
   71    HB   VAL   8           HB       VAL   8  -0.011  -4.774  -2.614
   72   1HG1  VAL   8          2HG1      VAL   8   1.860  -3.282  -3.013
   73   2HG1  VAL   8          1HG1      VAL   8   0.749  -1.935  -3.261
   74   3HG1  VAL   8          3HG1      VAL   8   0.865  -2.703  -1.677
   75   1HG2  VAL   8          3HG2      VAL   8  -1.870  -2.519  -3.350
   76   2HG2  VAL   8          2HG2      VAL   8  -2.276  -4.134  -2.748
   77   3HG2  VAL   8          1HG2      VAL   8  -1.499  -2.968  -1.678
   78    HA   PRO   9           HA       PRO   9  -1.830  -7.394  -6.508
   79   1HB   PRO   9           HB2      PRO   9   0.017  -9.342  -6.831
   80   2HB   PRO   9           HB1      PRO   9  -0.120  -7.959  -7.930
   81   1HG   PRO   9           HG2      PRO   9   1.789  -8.426  -5.678
   82   2HG   PRO   9           HG1      PRO   9   2.097  -7.736  -7.287
   83   1HD   PRO   9           HD2      PRO   9   1.789  -6.203  -5.043
   84   2HD   PRO   9           HD1      PRO   9   1.366  -5.641  -6.672
   85    H    VAL  10           HN       VAL  10  -3.039  -7.654  -4.626
   86    HA   VAL  10           HA       VAL  10  -2.193  -9.024  -2.327
   87    HB   VAL  10           HB       VAL  10  -4.210  -7.594  -2.442
   88   1HG1  VAL  10          1HG1      VAL  10  -5.426  -9.933  -3.888
   89   2HG1  VAL  10          3HG1      VAL  10  -6.327  -8.563  -3.239
   90   3HG1  VAL  10          2HG1      VAL  10  -5.155  -8.315  -4.533
   91   1HG2  VAL  10          3HG2      VAL  10  -3.850  -9.119  -0.565
   92   2HG2  VAL  10          2HG2      VAL  10  -5.568  -8.918  -0.915
   93   3HG2  VAL  10          1HG2      VAL  10  -4.728 -10.382  -1.429
   94    H    LYS  11           HN       LYS  11  -3.424 -10.093  -5.376
   95    HA   LYS  11           HA       LYS  11  -3.869 -12.803  -4.627
   96   1HB   LYS  11           HB2      LYS  11  -3.636 -13.130  -7.213
   97   2HB   LYS  11           HB1      LYS  11  -5.037 -12.316  -6.538
   98   1HG   LYS  11           HG2      LYS  11  -4.474 -10.983  -8.323
   99   2HG   LYS  11           HG1      LYS  11  -3.705 -10.151  -6.977
  100   1HD   LYS  11           HD2      LYS  11  -1.572 -11.212  -7.556
  101   2HD   LYS  11           HD1      LYS  11  -2.355 -12.026  -8.913
  102   1HE   LYS  11           HE2      LYS  11  -1.908  -9.070  -8.535
  103   2HE   LYS  11           HE1      LYS  11  -1.250 -10.109  -9.796
  104   1HZ   LYS  11           HZ1      LYS  11  -3.576 -10.451 -10.568
  105   2HZ   LYS  11           HZ3      LYS  11  -4.084  -9.273  -9.452
  106   3HZ   LYS  11           HZ2      LYS  11  -3.035  -8.852 -10.716
  107    H    GLU  12           HN       GLU  12  -1.080 -10.971  -5.296
  108    HA   GLU  12           HA       GLU  12   0.640 -13.239  -5.749
  109   1HB   GLU  12           HB2      GLU  12   1.141 -10.325  -5.207
  110   2HB   GLU  12           HB1      GLU  12   2.451 -11.508  -5.282
  111   1HG   GLU  12           HG2      GLU  12   0.555 -10.734  -7.478
  112   2HG   GLU  12           HG1      GLU  12   2.299 -10.477  -7.410
  113    H    TYR  13           HN       TYR  13  -0.530 -11.342  -3.100
  114    HA   TYR  13           HA       TYR  13   1.033 -13.004  -1.233
  115   1HB   TYR  13           HB2      TYR  13   0.215 -10.115  -0.802
  116   2HB   TYR  13           HB1      TYR  13   1.231 -11.099   0.258
  117    HD1  TYR  13           HD1      TYR  13   3.525 -11.678  -0.421
  118    HD2  TYR  13           HD2      TYR  13   1.090  -9.118  -2.780
  119    HE1  TYR  13           HE1      TYR  13   5.512 -10.963  -1.685
  120    HE2  TYR  13           HE2      TYR  13   3.050  -8.392  -4.053
  121    HH   TYR  13           HH       TYR  13   6.088 -10.010  -3.808
  122    HA   PRO  14           HA       PRO  14  -3.514 -13.716  -0.862
  123   1HB   PRO  14           HB2      PRO  14  -2.572 -16.312   0.195
  124   2HB   PRO  14           HB1      PRO  14  -3.740 -15.974  -1.085
  125   1HG   PRO  14           HG2      PRO  14  -1.308 -16.916  -1.655
  126   2HG   PRO  14           HG1      PRO  14  -2.101 -15.721  -2.700
  127   1HD   PRO  14           HD2      PRO  14   0.058 -15.324  -0.665
  128   2HD   PRO  14           HD1      PRO  14  -0.120 -14.597  -2.277
  129    H    ASP  15           HN       ASP  15  -0.951 -14.190   1.474
  130    HA   ASP  15           HA       ASP  15  -2.884 -14.237   3.666
  131   1HB   ASP  15           HB2      ASP  15  -0.995 -15.865   3.637
  132   2HB   ASP  15           HB1      ASP  15   0.124 -14.514   3.782
  133    H    PHE  16           HN       PHE  16  -1.082 -11.982   1.949
  134    HA   PHE  16           HA       PHE  16  -0.685 -10.243   4.272
  135   1HB   PHE  16           HB2      PHE  16   1.098 -10.658   2.424
  136   2HB   PHE  16           HB1      PHE  16   0.147  -9.480   1.509
  137    HD1  PHE  16           HD1      PHE  16   2.159  -9.989   4.566
  138    HD2  PHE  16           HD2      PHE  16   0.141  -7.191   2.071
  139    HE1  PHE  16           HE1      PHE  16   3.254  -8.159   5.735
  140    HE2  PHE  16           HE2      PHE  16   1.250  -5.341   3.247
  141    HZ   PHE  16           HZ       PHE  16   2.764  -5.861   5.187
  142    H    ASN  17           HN       ASN  17  -2.365  -9.203   4.826
  143    HA   ASN  17           HA       ASN  17  -4.289  -8.263   2.888
  144   1HB   ASN  17           HB2      ASN  17  -5.361  -7.318   5.053
  145   2HB   ASN  17           HB1      ASN  17  -5.371  -9.053   4.786
  146   1HD2  ASN  17          1HD2      ASN  17  -2.703  -6.973   5.995
  147   2HD2  ASN  17          2HD2      ASN  17  -2.592  -7.778   7.533
  148    H    PHE  18           HN       PHE  18  -3.425  -6.569   1.718
  149    HA   PHE  18           HA       PHE  18  -1.790  -4.610   2.845
  150   1HB   PHE  18           HB2      PHE  18  -3.503  -4.532   0.360
  151   2HB   PHE  18           HB1      PHE  18  -2.340  -3.275   0.804
  152    HD1  PHE  18           HD1      PHE  18   0.108  -4.194   1.375
  153    HD2  PHE  18           HD2      PHE  18  -2.812  -6.220  -0.967
  154    HE1  PHE  18           HE1      PHE  18   1.904  -5.506   0.270
  155    HE2  PHE  18           HE2      PHE  18  -1.057  -7.512  -2.064
  156    HZ   PHE  18           HZ       PHE  18   1.432  -7.175  -1.183
  157    H    VAL  19           HN       VAL  19  -5.298  -4.444   2.192
  158    HA   VAL  19           HA       VAL  19  -5.858  -2.098   3.582
  159    HB   VAL  19           HB       VAL  19  -7.511  -4.609   3.317
  160   1HG1  VAL  19          2HG1      VAL  19  -8.271  -3.313   5.232
  161   2HG1  VAL  19          1HG1      VAL  19  -8.367  -1.868   4.226
  162   3HG1  VAL  19          3HG1      VAL  19  -9.438  -3.232   3.914
  163   1HG2  VAL  19          3HG2      VAL  19  -7.536  -2.005   1.798
  164   2HG2  VAL  19          2HG2      VAL  19  -6.989  -3.568   1.194
  165   3HG2  VAL  19          1HG2      VAL  19  -8.691  -3.319   1.583
  166    H    GLY  20           HN       GLY  20  -5.746  -5.422   4.847
  167   1HA   GLY  20           HA1      GLY  20  -5.454  -6.199   6.990
  168   2HA   GLY  20           HA2      GLY  20  -6.258  -4.733   7.533
  169    H    ARG  21           HN       ARG  21  -3.533  -4.125   5.628
  170    HA   ARG  21           HA       ARG  21  -1.794  -3.916   7.956
  171   1HB   ARG  21           HB2      ARG  21  -0.702  -5.167   6.278
  172   2HB   ARG  21           HB1      ARG  21  -1.229  -4.091   5.001
  173   1HG   ARG  21           HG2      ARG  21   0.186  -2.327   6.244
  174   2HG   ARG  21           HG1      ARG  21   0.948  -3.722   7.014
  175   1HD   ARG  21           HD2      ARG  21   2.066  -2.775   4.956
  176   2HD   ARG  21           HD1      ARG  21   1.779  -4.497   4.952
  177    HE   ARG  21           HE       ARG  21   0.473  -4.206   3.121
  178   1HH1  ARG  21          1HH1      ARG  21   0.652  -1.291   4.947
  179   2HH1  ARG  21          2HH1      ARG  21  -0.196  -0.322   3.791
  180   1HH2  ARG  21          1HH2      ARG  21  -0.649  -2.979   1.523
  181   2HH2  ARG  21          2HH2      ARG  21  -0.950  -1.300   1.815
  182    H    ILE  22           HN       ILE  22  -3.241  -1.989   5.384
  183    HA   ILE  22           HA       ILE  22  -1.787   0.408   6.154
  184    HB   ILE  22           HB       ILE  22  -4.249   0.224   4.406
  185   1HG1  ILE  22          2HG1      ILE  22  -1.355  -0.206   3.833
  186   2HG1  ILE  22          1HG1      ILE  22  -2.749  -1.127   3.285
  187   1HG2  ILE  22          1HG2      ILE  22  -3.754   2.454   5.229
  188   2HG2  ILE  22          3HG2      ILE  22  -2.103   2.323   4.621
  189   3HG2  ILE  22          2HG2      ILE  22  -3.461   2.336   3.494
  190   1HD1  ILE  22          2HD1      ILE  22  -3.349   0.699   1.793
  191   2HD1  ILE  22          1HD1      ILE  22  -1.932   1.595   2.350
  192   3HD1  ILE  22          3HD1      ILE  22  -1.727   0.075   1.481
  193    H    LEU  23           HN       LEU  23  -5.055  -0.845   6.258
  194    HA   LEU  23           HA       LEU  23  -6.014   1.387   7.884
  195   1HB   LEU  23           HB2      LEU  23  -7.394  -0.830   6.375
  196   2HB   LEU  23           HB1      LEU  23  -8.250   0.236   7.463
  197    HG   LEU  23           HG       LEU  23  -7.996   2.089   6.023
  198   1HD1  LEU  23          3HD1      LEU  23  -6.019   0.442   4.453
  199   2HD1  LEU  23          2HD1      LEU  23  -6.608   2.047   4.004
  200   3HD1  LEU  23          1HD1      LEU  23  -5.641   1.836   5.466
  201   1HD2  LEU  23          3HD2      LEU  23  -9.631   0.434   5.292
  202   2HD2  LEU  23          2HD2      LEU  23  -8.909   1.274   3.917
  203   3HD2  LEU  23          1HD2      LEU  23  -8.385  -0.363   4.329
  204    H    GLY  24           HN       GLY  24  -5.249  -1.946   7.920
  205   1HA   GLY  24           HA1      GLY  24  -5.178  -3.513   9.596
  206   2HA   GLY  24           HA2      GLY  24  -6.892  -3.156   9.660
  207    HA   PRO  25           HA       PRO  25  -4.978  -1.562  13.620
  208   1HB   PRO  25           HB2      PRO  25  -2.321  -1.439  13.941
  209   2HB   PRO  25           HB1      PRO  25  -3.176  -2.983  13.885
  210   1HG   PRO  25           HG2      PRO  25  -1.442  -1.712  11.852
  211   2HG   PRO  25           HG1      PRO  25  -1.775  -3.427  12.135
  212   1HD   PRO  25           HD2      PRO  25  -2.960  -1.714  10.177
  213   2HD   PRO  25           HD1      PRO  25  -3.356  -3.410  10.517
  214    H    ARG  26           HN       ARG  26  -3.509  -0.011  10.853
  215    HA   ARG  26           HA       ARG  26  -3.104   2.455  12.416
  216   1HB   ARG  26           HB2      ARG  26  -1.475   1.317  10.144
  217   2HB   ARG  26           HB1      ARG  26  -1.261   2.943  10.779
  218   1HG   ARG  26           HG2      ARG  26  -0.575   2.104  12.904
  219   2HG   ARG  26           HG1      ARG  26  -1.006   0.453  12.452
  220   1HD   ARG  26           HD2      ARG  26   0.761   0.359  10.846
  221   2HD   ARG  26           HD1      ARG  26   1.091   2.081  11.028
  222    HE   ARG  26           HE       ARG  26   1.643   1.395  13.446
  223   1HH1  ARG  26          1HH1      ARG  26   2.249  -0.615  10.633
  224   2HH1  ARG  26          2HH1      ARG  26   3.650  -1.374  11.324
  225   1HH2  ARG  26          1HH2      ARG  26   3.477   0.371  14.357
  226   2HH2  ARG  26          2HH2      ARG  26   4.336  -0.820  13.427
  227    H    GLY  27           HN       GLY  27  -5.502   1.668  10.856
  228   1HA   GLY  27           HA1      GLY  27  -7.007   2.640   9.418
  229   2HA   GLY  27           HA2      GLY  27  -5.648   2.776   8.316
  230    H    LEU  28           HN       LEU  28  -5.485   4.447  11.322
  231    HA   LEU  28           HA       LEU  28  -6.727   6.850  10.700
  232   1HB   LEU  28           HB2      LEU  28  -5.203   7.846  12.404
  233   2HB   LEU  28           HB1      LEU  28  -6.078   6.428  12.941
  234    HG   LEU  28           HG       LEU  28  -3.864   5.178  12.265
  235   1HD1  LEU  28          3HD1      LEU  28  -2.767   7.135  11.287
  236   2HD1  LEU  28          2HD1      LEU  28  -2.847   7.956  12.846
  237   3HD1  LEU  28          1HD1      LEU  28  -1.866   6.500  12.665
  238   1HD2  LEU  28          2HD2      LEU  28  -4.128   6.852  14.756
  239   2HD2  LEU  28          1HD2      LEU  28  -4.809   5.244  14.501
  240   3HD2  LEU  28          3HD2      LEU  28  -3.059   5.464  14.557
  241    H    THR  29           HN       THR  29  -3.683   5.567   9.624
  242    HA   THR  29           HA       THR  29  -2.447   7.983   8.875
  243    HB   THR  29           HB       THR  29  -1.311   5.721   9.052
  244    HG1  THR  29           HG1      THR  29   0.177   6.882   8.132
  245   1HG2  THR  29          2HG2      THR  29  -2.862   4.423   7.664
  246   2HG2  THR  29          1HG2      THR  29  -2.399   5.377   6.255
  247   3HG2  THR  29          3HG2      THR  29  -1.214   4.332   7.044
  248    H    ALA  30           HN       ALA  30  -4.607   5.821   7.082
  249    HA   ALA  30           HA       ALA  30  -4.466   7.273   4.648
  250   1HB   ALA  30           HB3      ALA  30  -5.249   4.948   4.761
  251   2HB   ALA  30           HB1      ALA  30  -6.442   5.995   3.993
  252   3HB   ALA  30           HB2      ALA  30  -6.672   5.474   5.662
  253    H    LYS  31           HN       LYS  31  -6.458   7.439   7.505
  254    HA   LYS  31           HA       LYS  31  -8.420   9.212   6.521
  255   1HB   LYS  31           HB2      LYS  31  -8.628   7.816   8.574
  256   2HB   LYS  31           HB1      LYS  31  -7.463   8.886   9.357
  257   1HG   LYS  31           HG2      LYS  31  -8.972  10.747   9.183
  258   2HG   LYS  31           HG1      LYS  31 -10.104   9.791   8.226
  259   1HD   LYS  31           HD2      LYS  31 -10.429   8.292  10.155
  260   2HD   LYS  31           HD1      LYS  31  -9.339   9.308  11.103
  261   1HE   LYS  31           HE2      LYS  31 -10.834  11.198  10.846
  262   2HE   LYS  31           HE1      LYS  31 -11.902  10.245   9.818
  263   1HZ   LYS  31           HZ3      LYS  31 -12.277   8.759  11.721
  264   2HZ   LYS  31           HZ2      LYS  31 -11.330   9.771  12.693
  265   3HZ   LYS  31           HZ1      LYS  31 -12.778  10.350  12.029
  266    H    GLN  32           HN       GLN  32  -5.286   9.736   8.072
  267    HA   GLN  32           HA       GLN  32  -5.687  12.536   8.465
  268   1HB   GLN  32           HB2      GLN  32  -3.058  11.050   8.274
  269   2HB   GLN  32           HB1      GLN  32  -3.289  12.666   8.920
  270   1HG   GLN  32           HG2      GLN  32  -4.096  10.036  10.095
  271   2HG   GLN  32           HG1      GLN  32  -3.079  11.297  10.789
  272   1HE2  GLN  32          1HE2      GLN  32  -6.294  10.216  10.189
  273   2HE2  GLN  32          2HE2      GLN  32  -7.101  11.347  11.223
  274    H    LEU  33           HN       LEU  33  -4.388  10.565   5.878
  275    HA   LEU  33           HA       LEU  33  -3.124  12.670   4.464
  276   1HB   LEU  33           HB2      LEU  33  -4.301  10.244   3.131
  277   2HB   LEU  33           HB1      LEU  33  -2.887  11.166   2.663
  278    HG   LEU  33           HG       LEU  33  -3.157   9.163   4.880
  279   1HD1  LEU  33          1HD1      LEU  33  -2.633   8.303   2.672
  280   2HD1  LEU  33          3HD1      LEU  33  -1.249   9.393   2.562
  281   3HD1  LEU  33          2HD1      LEU  33  -1.267   8.108   3.769
  282   1HD2  LEU  33          1HD2      LEU  33  -0.953  11.180   4.505
  283   2HD2  LEU  33          3HD2      LEU  33  -2.016  10.989   5.902
  284   3HD2  LEU  33          2HD2      LEU  33  -0.831   9.739   5.517
  285    H    GLU  34           HN       GLU  34  -6.384  11.260   4.226
  286    HA   GLU  34           HA       GLU  34  -7.057  12.919   2.010
  287   1HB   GLU  34           HB2      GLU  34  -9.449  12.274   2.665
  288   2HB   GLU  34           HB1      GLU  34  -8.358  11.006   2.129
  289   1HG   GLU  34           HG2      GLU  34  -7.963  10.388   4.476
  290   2HG   GLU  34           HG1      GLU  34  -9.076  11.660   4.982
  291    H    ALA  35           HN       ALA  35  -7.413  13.169   5.475
  292    HA   ALA  35           HA       ALA  35  -9.115  15.398   5.527
  293   1HB   ALA  35           HB2      ALA  35  -8.434  15.664   7.841
  294   2HB   ALA  35           HB3      ALA  35  -7.061  14.592   7.578
  295   3HB   ALA  35           HB1      ALA  35  -8.704  13.960   7.472
  296    H    GLU  36           HN       GLU  36  -5.577  15.147   5.462
  297    HA   GLU  36           HA       GLU  36  -5.347  18.048   5.626
  298   1HB   GLU  36           HB2      GLU  36  -3.171  15.964   5.496
  299   2HB   GLU  36           HB1      GLU  36  -2.950  17.675   5.831
  300   1HG   GLU  36           HG2      GLU  36  -4.450  17.333   7.838
  301   2HG   GLU  36           HG1      GLU  36  -4.269  15.602   7.550
  302    H    THR  37           HN       THR  37  -4.361  15.453   3.359
  303    HA   THR  37           HA       THR  37  -2.953  17.279   1.702
  304    HB   THR  37           HB       THR  37  -2.572  15.486   0.177
  305    HG1  THR  37           HG1      THR  37  -4.567  14.038   1.611
  306   1HG2  THR  37          3HG2      THR  37  -2.638  14.410   2.997
  307   2HG2  THR  37          2HG2      THR  37  -1.704  13.737   1.661
  308   3HG2  THR  37          1HG2      THR  37  -1.332  15.348   2.277
  309    H    GLY  38           HN       GLY  38  -6.241  16.229   1.807
  310   1HA   GLY  38           HA1      GLY  38  -6.896  17.874  -0.513
  311   2HA   GLY  38           HA2      GLY  38  -8.038  17.143   0.615
  312    H    CYS  39           HN       CYS  39  -5.886  14.777  -0.153
  313    HA   CYS  39           HA       CYS  39  -7.439  13.757  -2.378
  314   1HB   CYS  39           HB2      CYS  39  -6.062  11.807  -2.313
  315   2HB   CYS  39           HB1      CYS  39  -4.969  13.159  -2.042
  316    HG   CYS  39           HG       CYS  39  -4.298  12.620   0.429
  317    H    LYS  40           HN       LYS  40  -8.525  11.574  -2.069
  318    HA   LYS  40           HA       LYS  40  -8.832  10.962   0.763
  319   1HB   LYS  40           HB2      LYS  40 -11.065  10.054   0.329
  320   2HB   LYS  40           HB1      LYS  40 -11.000  11.772  -0.018
  321   1HG   LYS  40           HG2      LYS  40 -11.072  11.384  -2.349
  322   2HG   LYS  40           HG1      LYS  40 -10.778   9.655  -2.145
  323   1HD   LYS  40           HD2      LYS  40 -13.241  11.155  -1.237
  324   2HD   LYS  40           HD1      LYS  40 -13.131  10.113  -2.655
  325   1HE   LYS  40           HE2      LYS  40 -13.724   8.391  -1.373
  326   2HE   LYS  40           HE1      LYS  40 -12.192   8.571  -0.512
  327   1HZ   LYS  40           HZ3      LYS  40 -13.350  10.226   0.940
  328   2HZ   LYS  40           HZ2      LYS  40 -14.808   9.781   0.194
  329   3HZ   LYS  40           HZ1      LYS  40 -13.930   8.639   1.081
  330    H    ILE  41           HN       ILE  41  -7.222   9.515   0.822
  331    HA   ILE  41           HA       ILE  41  -6.702   7.909  -1.482
  332    HB   ILE  41           HB       ILE  41  -4.799   8.651  -0.265
  333   1HG1  ILE  41          2HG1      ILE  41  -5.196   5.692   0.233
  334   2HG1  ILE  41          1HG1      ILE  41  -4.562   6.429  -1.235
  335   1HG2  ILE  41          2HG2      ILE  41  -5.828   8.987   1.932
  336   2HG2  ILE  41          1HG2      ILE  41  -5.892   7.240   2.177
  337   3HG2  ILE  41          3HG2      ILE  41  -4.332   8.060   2.069
  338   1HD1  ILE  41          2HD1      ILE  41  -2.642   7.270   0.040
  339   2HD1  ILE  41          1HD1      ILE  41  -3.271   6.473   1.481
  340   3HD1  ILE  41          3HD1      ILE  41  -2.767   5.510   0.092
  341    H    MET  42           HN       MET  42  -7.941   6.313  -1.967
  342    HA   MET  42           HA       MET  42  -9.233   4.804   0.174
  343   1HB   MET  42           HB2      MET  42 -10.962   4.231  -1.484
  344   2HB   MET  42           HB1      MET  42 -10.820   5.973  -1.288
  345   1HG   MET  42           HG2      MET  42  -9.650   6.188  -3.351
  346   2HG   MET  42           HG1      MET  42  -9.482   4.443  -3.504
  347   1HE   MET  42           HE2      MET  42 -11.863   7.521  -3.746
  348   2HE   MET  42           HE1      MET  42 -13.437   6.765  -3.996
  349   3HE   MET  42           HE3      MET  42 -12.618   6.604  -2.443
  350    H    VAL  43           HN       VAL  43  -8.855   2.672   0.294
  351    HA   VAL  43           HA       VAL  43  -6.920   1.578  -1.556
  352    HB   VAL  43           HB       VAL  43  -8.191  -0.112   0.536
  353   1HG1  VAL  43          2HG1      VAL  43  -6.511  -1.025  -0.969
  354   2HG1  VAL  43          1HG1      VAL  43  -5.369   0.224  -0.460
  355   3HG1  VAL  43          3HG1      VAL  43  -5.913  -0.999   0.693
  356   1HG2  VAL  43          1HG2      VAL  43  -6.241   2.114   1.111
  357   2HG2  VAL  43          3HG2      VAL  43  -7.840   1.877   1.821
  358   3HG2  VAL  43          2HG2      VAL  43  -6.530   0.760   2.201
  359    H    ARG  44           HN       ARG  44  -7.575   0.718  -3.359
  360    HA   ARG  44           HA       ARG  44 -10.346  -0.196  -3.571
  361   1HB   ARG  44           HB2      ARG  44  -8.351   0.683  -5.653
  362   2HB   ARG  44           HB1      ARG  44  -9.876  -0.087  -6.063
  363   1HG   ARG  44           HG2      ARG  44 -10.960   1.787  -4.689
  364   2HG   ARG  44           HG1      ARG  44  -9.410   2.589  -4.819
  365   1HD   ARG  44           HD2      ARG  44  -9.523   2.707  -7.153
  366   2HD   ARG  44           HD1      ARG  44 -10.833   1.522  -7.232
  367    HE   ARG  44           HE       ARG  44 -11.402   4.041  -5.887
  368   1HH1  ARG  44          1HH1      ARG  44 -11.695   2.000  -8.710
  369   2HH1  ARG  44          2HH1      ARG  44 -12.950   2.950  -9.442
  370   1HH2  ARG  44          1HH2      ARG  44 -13.069   5.307  -6.835
  371   2HH2  ARG  44          2HH2      ARG  44 -13.747   4.829  -8.361
  372    H    GLY  45           HN       GLY  45 -10.527  -2.015  -5.345
  373   1HA   GLY  45           HA1      GLY  45  -8.446  -4.021  -4.847
  374   2HA   GLY  45           HA2      GLY  45  -9.703  -4.117  -6.074
  375    H    LYS  46           HN       LYS  46  -9.296  -6.266  -4.541
  376    HA   LYS  46           HA       LYS  46 -11.871  -6.544  -3.317
  377   1HB   LYS  46           HB2      LYS  46 -11.267  -8.913  -3.106
  378   2HB   LYS  46           HB1      LYS  46 -10.970  -8.316  -4.732
  379   1HG   LYS  46           HG2      LYS  46  -8.539  -7.946  -3.802
  380   2HG   LYS  46           HG1      LYS  46  -9.040  -9.175  -2.640
  381   1HD   LYS  46           HD2      LYS  46  -7.994 -10.311  -4.446
  382   2HD   LYS  46           HD1      LYS  46  -9.731 -10.591  -4.601
  383   1HE   LYS  46           HE2      LYS  46  -9.845  -8.754  -6.246
  384   2HE   LYS  46           HE1      LYS  46  -8.098  -8.559  -6.121
  385   1HZ   LYS  46           HZ3      LYS  46  -7.857 -10.859  -6.913
  386   2HZ   LYS  46           HZ2      LYS  46  -9.536 -10.967  -7.104
  387   3HZ   LYS  46           HZ1      LYS  46  -8.647  -9.875  -8.043
  388    H    GLY  47           HN       GLY  47 -12.172  -5.722  -1.329
  389   1HA   GLY  47           HA1      GLY  47 -10.186  -6.553   0.700
  390   2HA   GLY  47           HA2      GLY  47 -11.916  -6.604   0.992
  391    H    SER  48           HN       SER  48 -12.153  -4.012  -0.516
  392    HA   SER  48           HA       SER  48 -10.779  -2.036   0.987
  393   1HB   SER  48           HB2      SER  48 -11.638  -1.661  -1.291
  394   2HB   SER  48           HB1      SER  48 -13.287  -1.858  -0.706
  395    HG   SER  48           HG       SER  48 -11.473   0.149   0.159
  396    H    MET  49           HN       MET  49 -14.237  -2.897   0.903
  397    HA   MET  49           HA       MET  49 -14.465  -2.200   3.734
  398   1HB   MET  49           HB2      MET  49 -16.386  -1.516   1.511
  399   2HB   MET  49           HB1      MET  49 -16.804  -1.420   3.216
  400   1HG   MET  49           HG2      MET  49 -14.553   0.099   1.919
  401   2HG   MET  49           HG1      MET  49 -16.164   0.748   2.217
  402   1HE   MET  49           HE3      MET  49 -13.438   2.102   3.236
  403   2HE   MET  49           HE2      MET  49 -15.034   2.792   3.531
  404   3HE   MET  49           HE1      MET  49 -13.905   2.582   4.867
  405    H    ARG  50           HN       ARG  50 -13.914  -4.717   2.767
  406    HA   ARG  50           HA       ARG  50 -16.037  -6.410   2.089
  407   1HB   ARG  50           HB2      ARG  50 -13.266  -6.704   3.034
  408   2HB   ARG  50           HB1      ARG  50 -14.309  -8.076   3.365
  409   1HG   ARG  50           HG2      ARG  50 -13.930  -6.855   0.645
  410   2HG   ARG  50           HG1      ARG  50 -13.044  -8.257   1.251
  411   1HD   ARG  50           HD2      ARG  50 -16.012  -8.026   0.825
  412   2HD   ARG  50           HD1      ARG  50 -14.885  -9.016  -0.097
  413    HE   ARG  50           HE       ARG  50 -14.513 -10.179   2.157
  414   1HH1  ARG  50          1HH1      ARG  50 -17.555  -8.761   1.159
  415   2HH1  ARG  50          2HH1      ARG  50 -18.523  -9.784   2.175
  416   1HH2  ARG  50          1HH2      ARG  50 -15.769 -11.528   3.488
  417   2HH2  ARG  50          2HH2      ARG  50 -17.500 -11.376   3.498
  418    H    ASP  51           HN       ASP  51 -16.575  -4.747   4.537
  419    HA   ASP  51           HA       ASP  51 -16.845  -6.524   6.754
  420   1HB   ASP  51           HB2      ASP  51 -17.974  -3.825   6.047
  421   2HB   ASP  51           HB1      ASP  51 -18.468  -4.669   7.513
  422    H    LYS  52           HN       LYS  52 -18.626  -7.663   7.401
  423    HA   LYS  52           HA       LYS  52 -20.437  -8.648   5.513
  424   1HB   LYS  52           HB2      LYS  52 -20.719  -8.551   8.525
  425   2HB   LYS  52           HB1      LYS  52 -21.661  -9.574   7.448
  426   1HG   LYS  52           HG2      LYS  52 -19.689 -10.801   6.817
  427   2HG   LYS  52           HG1      LYS  52 -18.672  -9.715   7.768
  428   1HD   LYS  52           HD2      LYS  52 -19.865 -10.411   9.802
  429   2HD   LYS  52           HD1      LYS  52 -20.829 -11.531   8.838
  430   1HE   LYS  52           HE2      LYS  52 -18.844 -12.768   8.230
  431   2HE   LYS  52           HE1      LYS  52 -17.826 -11.606   9.082
  432   1HZ   LYS  52           HZ3      LYS  52 -19.890 -13.327  10.348
  433   2HZ   LYS  52           HZ2      LYS  52 -18.221 -13.616  10.387
  434   3HZ   LYS  52           HZ1      LYS  52 -18.862 -12.248  11.156
  435    H    LYS  53           HN       LYS  53 -20.699  -6.044   7.850
  436    HA   LYS  53           HA       LYS  53 -23.416  -5.467   7.451
  437   1HB   LYS  53           HB2      LYS  53 -22.856  -3.236   8.411
  438   2HB   LYS  53           HB1      LYS  53 -22.287  -4.589   9.379
  439   1HG   LYS  53           HG2      LYS  53 -20.038  -4.288   8.346
  440   2HG   LYS  53           HG1      LYS  53 -20.649  -2.825   7.573
  441   1HD   LYS  53           HD2      LYS  53 -20.566  -3.323  10.550
  442   2HD   LYS  53           HD1      LYS  53 -19.405  -2.351   9.645
  443   1HE   LYS  53           HE2      LYS  53 -21.325  -0.910   8.917
  444   2HE   LYS  53           HE1      LYS  53 -22.340  -1.807  10.047
  445   1HZ   LYS  53           HZ2      LYS  53 -19.896  -0.290  10.794
  446   2HZ   LYS  53           HZ1      LYS  53 -21.479   0.275  10.991
  447   3HZ   LYS  53           HZ3      LYS  53 -20.951  -1.080  11.863
  448    H    LYS  54           HN       LYS  54 -20.504  -4.377   5.758
  449    HA   LYS  54           HA       LYS  54 -21.804  -2.334   4.298
  450   1HB   LYS  54           HB2      LYS  54 -19.166  -3.670   4.138
  451   2HB   LYS  54           HB1      LYS  54 -19.727  -2.862   2.682
  452   1HG   LYS  54           HG2      LYS  54 -18.468  -1.252   3.815
  453   2HG   LYS  54           HG1      LYS  54 -20.141  -0.837   4.167
  454   1HD   LYS  54           HD2      LYS  54 -20.023  -1.838   6.327
  455   2HD   LYS  54           HD1      LYS  54 -18.436  -2.519   5.981
  456   1HE   LYS  54           HE2      LYS  54 -18.835   0.441   5.888
  457   2HE   LYS  54           HE1      LYS  54 -18.654  -0.369   7.443
  458   1HZ   LYS  54           HZ1      LYS  54 -16.544  -1.306   6.629
  459   2HZ   LYS  54           HZ3      LYS  54 -16.707  -0.407   5.198
  460   3HZ   LYS  54           HZ2      LYS  54 -16.528   0.393   6.679
  461    H    GLU  55           HN       GLU  55 -21.128  -5.733   3.534
  462    HA   GLU  55           HA       GLU  55 -22.147  -5.523   0.894
  463   1HB   GLU  55           HB2      GLU  55 -22.387  -8.094   1.174
  464   2HB   GLU  55           HB1      GLU  55 -20.786  -7.370   1.161
  465   1HG   GLU  55           HG2      GLU  55 -20.521  -7.613   3.449
  466   2HG   GLU  55           HG1      GLU  55 -22.247  -7.879   3.718
  467    H    GLU  56           HN       GLU  56 -23.668  -5.802   3.968
  468    HA   GLU  56           HA       GLU  56 -26.190  -6.708   2.914
  469   1HB   GLU  56           HB2      GLU  56 -25.458  -5.590   5.612
  470   2HB   GLU  56           HB1      GLU  56 -27.062  -6.174   5.190
  471   1HG   GLU  56           HG2      GLU  56 -26.130  -8.395   4.754
  472   2HG   GLU  56           HG1      GLU  56 -24.534  -7.804   5.212
  473    H    GLN  57           HN       GLN  57 -24.990  -3.610   4.155
  474    HA   GLN  57           HA       GLN  57 -27.454  -2.353   3.129
  475   1HB   GLN  57           HB2      GLN  57 -25.557  -0.721   4.626
  476   2HB   GLN  57           HB1      GLN  57 -27.296  -0.840   4.803
  477   1HG   GLN  57           HG2      GLN  57 -27.132  -2.357   6.460
  478   2HG   GLN  57           HG1      GLN  57 -25.727  -3.152   5.732
  479   1HE2  GLN  57          1HE2      GLN  57 -23.684  -2.347   6.092
  480   2HE2  GLN  57          2HE2      GLN  57 -23.335  -1.193   7.345
  481    H    ASN  58           HN       ASN  58 -23.952  -1.890   3.250
  482    HA   ASN  58           HA       ASN  58 -23.953   0.387   1.489
  483   1HB   ASN  58           HB2      ASN  58 -21.779  -1.241   2.789
  484   2HB   ASN  58           HB1      ASN  58 -21.432   0.084   1.693
  485   1HD2  ASN  58          1HD2      ASN  58 -24.184   0.281   3.783
  486   2HD2  ASN  58          2HD2      ASN  58 -23.524   1.448   4.875
  487    H    ARG  59           HN       ARG  59 -24.578  -2.615   0.833
  488    HA   ARG  59           HA       ARG  59 -22.877  -3.617  -1.054
  489   1HB   ARG  59           HB2      ARG  59 -24.803  -4.885  -1.909
  490   2HB   ARG  59           HB1      ARG  59 -24.714  -4.908  -0.153
  491   1HG   ARG  59           HG2      ARG  59 -26.445  -3.167  -0.061
  492   2HG   ARG  59           HG1      ARG  59 -26.553  -3.206  -1.823
  493   1HD   ARG  59           HD2      ARG  59 -27.155  -5.602  -1.689
  494   2HD   ARG  59           HD1      ARG  59 -27.146  -5.477   0.070
  495    HE   ARG  59           HE       ARG  59 -28.883  -3.598  -1.280
  496   1HH1  ARG  59          1HH1      ARG  59 -28.606  -6.739   0.243
  497   2HH1  ARG  59          2HH1      ARG  59 -30.315  -6.901   0.503
  498   1HH2  ARG  59          1HH2      ARG  59 -31.127  -3.799  -0.915
  499   2HH2  ARG  59          2HH2      ARG  59 -31.741  -5.234  -0.138
  500    H    GLY  60           HN       GLY  60 -22.710  -3.527  -3.244
  501   1HA   GLY  60           HA1      GLY  60 -24.507  -1.974  -4.866
  502   2HA   GLY  60           HA2      GLY  60 -23.083  -2.842  -5.417
  503    H    LYS  61           HN       LYS  61 -22.181  -0.829  -2.881
  504    HA   LYS  61           HA       LYS  61 -21.759   1.414  -4.720
  505   1HB   LYS  61           HB2      LYS  61 -21.958   2.920  -3.012
  506   2HB   LYS  61           HB1      LYS  61 -23.070   1.666  -2.498
  507   1HG   LYS  61           HG2      LYS  61 -21.612   0.920  -0.821
  508   2HG   LYS  61           HG1      LYS  61 -20.246   1.816  -1.500
  509   1HD   LYS  61           HD2      LYS  61 -21.347   3.914  -1.006
  510   2HD   LYS  61           HD1      LYS  61 -22.755   3.055  -0.383
  511   1HE   LYS  61           HE2      LYS  61 -21.363   2.095   1.396
  512   2HE   LYS  61           HE1      LYS  61 -19.971   2.984   0.775
  513   1HZ   LYS  61           HZ1      LYS  61 -22.480   4.223   1.780
  514   2HZ   LYS  61           HZ3      LYS  61 -21.030   4.112   2.655
  515   3HZ   LYS  61           HZ2      LYS  61 -21.100   5.055   1.245
  516    HA   PRO  62           HA       PRO  62 -17.532   2.108  -5.284
  517   1HB   PRO  62           HB2      PRO  62 -17.343   3.129  -2.460
  518   2HB   PRO  62           HB1      PRO  62 -16.443   3.635  -3.882
  519   1HG   PRO  62           HG2      PRO  62 -18.673   4.915  -3.102
  520   2HG   PRO  62           HG1      PRO  62 -18.258   4.727  -4.816
  521   1HD   PRO  62           HD2      PRO  62 -20.459   3.532  -3.331
  522   2HD   PRO  62           HD1      PRO  62 -20.157   3.513  -5.078
  523    H    ASN  63           HN       ASN  63 -18.052   0.647  -2.097
  524    HA   ASN  63           HA       ASN  63 -15.408  -0.366  -1.798
  525   1HB   ASN  63           HB2      ASN  63 -17.363  -2.033  -0.480
  526   2HB   ASN  63           HB1      ASN  63 -16.189  -0.918   0.209
  527   1HD2  ASN  63          1HD2      ASN  63 -19.394  -1.106  -1.184
  528   2HD2  ASN  63          2HD2      ASN  63 -20.054   0.222  -0.304
  529    H    TRP  64           HN       TRP  64 -18.336  -1.582  -3.233
  530    HA   TRP  64           HA       TRP  64 -17.054  -4.076  -3.971
  531   1HB   TRP  64           HB2      TRP  64 -19.828  -3.267  -4.759
  532   2HB   TRP  64           HB1      TRP  64 -19.181  -4.887  -4.473
  533    HD1  TRP  64           HD1      TRP  64 -21.185  -2.333  -2.803
  534    HE1  TRP  64           HE1      TRP  64 -21.343  -2.748  -0.278
  535    HE3  TRP  64           HE3      TRP  64 -17.513  -5.828  -2.366
  536    HZ2  TRP  64           HZ2      TRP  64 -20.048  -4.366   1.659
  537    HZ3  TRP  64           HZ3      TRP  64 -17.024  -6.755  -0.153
  538    HH2  TRP  64           HH2      TRP  64 -18.264  -6.042   1.824
  539    H    GLU  65           HN       GLU  65 -17.977  -1.003  -5.178
  540    HA   GLU  65           HA       GLU  65 -17.962  -1.277  -7.909
  541   1HB   GLU  65           HB2      GLU  65 -18.371   0.900  -7.335
  542   2HB   GLU  65           HB1      GLU  65 -17.239   0.858  -5.988
  543   1HG   GLU  65           HG2      GLU  65 -15.443   0.797  -7.897
  544   2HG   GLU  65           HG1      GLU  65 -16.739   1.495  -8.860
  545    H    HIS  66           HN       HIS  66 -15.162  -0.614  -5.848
  546    HA   HIS  66           HA       HIS  66 -13.421  -1.386  -8.044
  547   1HB   HIS  66           HB2      HIS  66 -11.616  -0.498  -6.517
  548   2HB   HIS  66           HB1      HIS  66 -12.800   0.673  -7.079
  549    HD1  HIS  66           HD1      HIS  66 -13.489   2.229  -5.308
  550    HD2  HIS  66           HD2      HIS  66 -12.589  -1.540  -3.809
  551    HE1  HIS  66           HE1      HIS  66 -13.610   2.458  -2.802
  552    HE2  HIS  66           HE2      HIS  66 -12.892   0.211  -1.905
  553    H    LEU  67           HN       LEU  67 -14.954  -2.965  -5.635
  554    HA   LEU  67           HA       LEU  67 -13.009  -4.628  -4.469
  555   1HB   LEU  67           HB2      LEU  67 -15.338  -4.558  -3.701
  556   2HB   LEU  67           HB1      LEU  67 -15.867  -5.258  -5.217
  557    HG   LEU  67           HG       LEU  67 -14.327  -7.248  -4.548
  558   1HD1  LEU  67          2HD1      LEU  67 -14.813  -5.954  -1.872
  559   2HD1  LEU  67          1HD1      LEU  67 -14.179  -7.580  -2.127
  560   3HD1  LEU  67          3HD1      LEU  67 -13.252  -6.177  -2.662
  561   1HD2  LEU  67          1HD2      LEU  67 -16.939  -6.707  -3.145
  562   2HD2  LEU  67          3HD2      LEU  67 -16.743  -7.389  -4.760
  563   3HD2  LEU  67          2HD2      LEU  67 -16.187  -8.289  -3.348
  564    H    ASN  68           HN       ASN  68 -14.379  -4.494  -7.567
  565    HA   ASN  68           HA       ASN  68 -13.589  -7.193  -8.310
  566   1HB   ASN  68           HB2      ASN  68 -14.541  -6.389 -10.599
  567   2HB   ASN  68           HB1      ASN  68 -15.649  -6.738  -9.273
  568   1HD2  ASN  68          1HD2      ASN  68 -16.739  -5.060  -8.284
  569   2HD2  ASN  68          2HD2      ASN  68 -16.797  -3.456  -8.922
  570    H    GLU  69           HN       GLU  69 -12.001  -4.407  -7.985
  571    HA   GLU  69           HA       GLU  69 -10.180  -4.883 -10.230
  572   1HB   GLU  69           HB2      GLU  69  -9.989  -2.810  -8.025
  573   2HB   GLU  69           HB1      GLU  69  -8.998  -2.884  -9.474
  574   1HG   GLU  69           HG2      GLU  69 -11.079  -2.523 -10.813
  575   2HG   GLU  69           HG1      GLU  69 -11.931  -2.242  -9.295
  576    H    ASP  70           HN       ASP  70  -7.733  -4.729  -9.404
  577    HA   ASP  70           HA       ASP  70  -7.438  -6.749  -7.328
  578   1HB   ASP  70           HB2      ASP  70  -6.045  -6.529  -9.570
  579   2HB   ASP  70           HB1      ASP  70  -5.078  -5.421  -8.601
  580    H    LEU  71           HN       LEU  71  -6.330  -6.382  -5.375
  581    HA   LEU  71           HA       LEU  71  -7.044  -4.024  -4.083
  582   1HB   LEU  71           HB2      LEU  71  -6.604  -6.122  -2.920
  583   2HB   LEU  71           HB1      LEU  71  -4.906  -6.013  -3.335
  584    HG   LEU  71           HG       LEU  71  -4.570  -4.164  -1.861
  585   1HD1  LEU  71          1HD1      LEU  71  -7.556  -4.183  -1.451
  586   2HD1  LEU  71          3HD1      LEU  71  -6.404  -3.209  -0.534
  587   3HD1  LEU  71          2HD1      LEU  71  -6.610  -2.932  -2.266
  588   1HD2  LEU  71          1HD2      LEU  71  -6.310  -6.243  -0.540
  589   2HD2  LEU  71          3HD2      LEU  71  -4.573  -6.366  -0.824
  590   3HD2  LEU  71          2HD2      LEU  71  -5.201  -5.150   0.290
  591    H    HIS  72           HN       HIS  72  -6.288  -2.047  -4.326
  592    HA   HIS  72           HA       HIS  72  -3.417  -1.625  -4.399
  593   1HB   HIS  72           HB2      HIS  72  -3.528  -0.099  -6.309
  594   2HB   HIS  72           HB1      HIS  72  -3.952  -1.739  -6.758
  595    HD1  HIS  72           HD1      HIS  72  -6.262  -2.170  -7.674
  596    HD2  HIS  72           HD2      HIS  72  -5.744   1.759  -6.413
  597    HE1  HIS  72           HE1      HIS  72  -8.171  -0.883  -8.670
  598    HE2  HIS  72           HE2      HIS  72  -7.709   1.518  -8.093
  599    H    VAL  73           HN       VAL  73  -2.852   0.664  -4.068
  600    HA   VAL  73           HA       VAL  73  -4.891   1.928  -2.370
  601    HB   VAL  73           HB       VAL  73  -3.138   3.241  -1.355
  602   1HG1  VAL  73          3HG1      VAL  73  -2.320   0.352  -1.609
  603   2HG1  VAL  73          2HG1      VAL  73  -1.769   1.465  -0.356
  604   3HG1  VAL  73          1HG1      VAL  73  -3.473   1.022  -0.456
  605   1HG2  VAL  73          2HG2      VAL  73  -1.240   1.955  -3.320
  606   2HG2  VAL  73          1HG2      VAL  73  -1.722   3.652  -3.290
  607   3HG2  VAL  73          3HG2      VAL  73  -0.775   2.980  -1.963
  608    H    LEU  74           HN       LEU  74  -5.651   3.960  -2.831
  609    HA   LEU  74           HA       LEU  74  -4.635   5.174  -5.294
  610   1HB   LEU  74           HB2      LEU  74  -6.473   3.973  -6.109
  611   2HB   LEU  74           HB1      LEU  74  -7.444   4.312  -4.691
  612    HG   LEU  74           HG       LEU  74  -7.577   6.671  -5.398
  613   1HD1  LEU  74          2HD1      LEU  74  -5.533   6.770  -6.669
  614   2HD1  LEU  74          1HD1      LEU  74  -6.255   5.738  -7.905
  615   3HD1  LEU  74          3HD1      LEU  74  -6.923   7.342  -7.587
  616   1HD2  LEU  74          2HD2      LEU  74  -8.528   4.671  -7.430
  617   2HD2  LEU  74          1HD2      LEU  74  -9.375   5.142  -5.955
  618   3HD2  LEU  74          3HD2      LEU  74  -9.137   6.317  -7.249
  619    H    ILE  75           HN       ILE  75  -3.969   7.086  -4.792
  620    HA   ILE  75           HA       ILE  75  -5.384   8.670  -2.824
  621    HB   ILE  75           HB       ILE  75  -3.756  10.481  -3.885
  622   1HG1  ILE  75          2HG1      ILE  75  -2.253   7.932  -4.428
  623   2HG1  ILE  75          1HG1      ILE  75  -3.062   8.867  -5.682
  624   1HG2  ILE  75          2HG2      ILE  75  -3.743   9.719  -1.571
  625   2HG2  ILE  75          1HG2      ILE  75  -2.797   8.307  -2.046
  626   3HG2  ILE  75          3HG2      ILE  75  -2.105   9.927  -2.198
  627   1HD1  ILE  75          3HD1      ILE  75  -1.640  10.787  -5.138
  628   2HD1  ILE  75          2HD1      ILE  75  -0.806   9.806  -3.931
  629   3HD1  ILE  75          1HD1      ILE  75  -0.711   9.373  -5.638
  630    H    THR  76           HN       THR  76  -7.307   9.351  -3.450
  631    HA   THR  76           HA       THR  76  -7.682  10.302  -6.206
  632    HB   THR  76           HB       THR  76 -10.059  10.474  -4.600
  633    HG1  THR  76           HG1      THR  76  -9.346   8.846  -3.270
  634   1HG2  THR  76          3HG2      THR  76  -9.270   8.626  -6.848
  635   2HG2  THR  76          2HG2      THR  76 -10.914   8.892  -6.265
  636   3HG2  THR  76          1HG2      THR  76 -10.021  10.212  -7.018
  637    H    VAL  77           HN       VAL  77  -7.257  12.386  -6.482
  638    HA   VAL  77           HA       VAL  77  -7.917  14.221  -4.279
  639    HB   VAL  77           HB       VAL  77  -5.541  14.141  -4.490
  640   1HG1  VAL  77          1HG1      VAL  77  -5.386  13.185  -6.729
  641   2HG1  VAL  77          3HG1      VAL  77  -5.878  14.730  -7.423
  642   3HG1  VAL  77          2HG1      VAL  77  -4.349  14.599  -6.555
  643   1HG2  VAL  77          1HG2      VAL  77  -6.613  16.609  -5.836
  644   2HG2  VAL  77          3HG2      VAL  77  -6.456  16.341  -4.100
  645   3HG2  VAL  77          2HG2      VAL  77  -5.015  16.449  -5.111
  646    H    GLU  78           HN       GLU  78  -9.546  15.503  -4.711
  647    HA   GLU  78           HA       GLU  78 -10.176  16.217  -7.440
  648   1HB   GLU  78           HB2      GLU  78 -11.532  17.039  -4.862
  649   2HB   GLU  78           HB1      GLU  78 -12.144  17.327  -6.484
  650   1HG   GLU  78           HG2      GLU  78 -13.356  15.485  -5.877
  651   2HG   GLU  78           HG1      GLU  78 -11.987  14.739  -6.696
  652    H    ASP  79           HN       ASP  79  -8.517  17.547  -8.091
  653    HA   ASP  79           HA       ASP  79  -8.718  20.306  -7.452
  654   1HB   ASP  79           HB2      ASP  79  -7.310  19.342  -5.503
  655   2HB   ASP  79           HB1      ASP  79  -6.045  19.097  -6.702
  656    H    ALA  80           HN       ALA  80  -6.416  21.297  -8.497
  657    HA   ALA  80           HA       ALA  80  -6.582  20.617 -11.242
  658   1HB   ALA  80           HB2      ALA  80  -5.940  22.855 -10.462
  659   2HB   ALA  80           HB3      ALA  80  -4.745  22.173 -11.565
  660   3HB   ALA  80           HB1      ALA  80  -4.434  22.193  -9.829
  661    H    GLN  81           HN       GLN  81  -3.613  20.499  -9.247
  662    HA   GLN  81           HA       GLN  81  -3.158  17.763  -9.511
  663   1HB   GLN  81           HB2      GLN  81  -2.948  18.249 -11.916
  664   2HB   GLN  81           HB1      GLN  81  -1.652  19.387 -11.568
  665   1HG   GLN  81           HG2      GLN  81  -0.218  17.654 -10.830
  666   2HG   GLN  81           HG1      GLN  81  -1.530  16.479 -10.837
  667   1HE2  GLN  81          1HE2      GLN  81  -0.378  15.115 -12.186
  668   2HE2  GLN  81          2HE2      GLN  81  -0.190  15.443 -13.875
  669    H    ASN  82           HN       ASN  82  -0.882  20.454 -10.065
  670    HA   ASN  82           HA       ASN  82   1.267  19.216  -8.947
  671   1HB   ASN  82           HB2      ASN  82   0.661  22.147  -9.182
  672   2HB   ASN  82           HB1      ASN  82   2.218  21.545  -8.622
  673   1HD2  ASN  82          1HD2      ASN  82   3.578  20.507 -10.046
  674   2HD2  ASN  82          2HD2      ASN  82   3.348  20.563 -11.767
  675    H    ARG  83           HN       ARG  83  -0.516  21.781  -7.189
  676    HA   ARG  83           HA       ARG  83   1.071  21.579  -4.880
  677   1HB   ARG  83           HB2      ARG  83  -0.717  22.894  -3.765
  678   2HB   ARG  83           HB1      ARG  83  -0.245  23.573  -5.316
  679   1HG   ARG  83           HG2      ARG  83  -2.212  22.638  -6.363
  680   2HG   ARG  83           HG1      ARG  83  -2.666  21.844  -4.858
  681   1HD   ARG  83           HD2      ARG  83  -2.851  24.089  -3.806
  682   2HD   ARG  83           HD1      ARG  83  -2.554  24.808  -5.391
  683    HE   ARG  83           HE       ARG  83  -4.686  22.932  -5.514
  684   1HH1  ARG  83          1HH1      ARG  83  -3.930  26.192  -4.474
  685   2HH1  ARG  83          2HH1      ARG  83  -5.569  26.756  -4.617
  686   1HH2  ARG  83          1HH2      ARG  83  -6.823  23.639  -5.683
  687   2HH2  ARG  83          2HH2      ARG  83  -7.224  25.288  -5.288
  688    H    ALA  84           HN       ALA  84  -2.139  20.251  -5.558
  689    HA   ALA  84           HA       ALA  84  -2.453  19.174  -2.961
  690   1HB   ALA  84           HB3      ALA  84  -3.964  18.498  -5.478
  691   2HB   ALA  84           HB2      ALA  84  -4.471  18.159  -3.822
  692   3HB   ALA  84           HB1      ALA  84  -4.348  19.826  -4.381
  693    H    GLU  85           HN       GLU  85  -1.636  17.748  -6.118
  694    HA   GLU  85           HA       GLU  85  -1.670  15.085  -5.247
  695   1HB   GLU  85           HB2      GLU  85  -0.610  14.480  -7.247
  696   2HB   GLU  85           HB1      GLU  85  -1.527  15.918  -7.670
  697   1HG   GLU  85           HG2      GLU  85   0.375  17.247  -7.820
  698   2HG   GLU  85           HG1      GLU  85   1.348  16.127  -6.872
  699    H    LEU  86           HN       LEU  86   0.829  17.557  -5.157
  700    HA   LEU  86           HA       LEU  86   3.007  15.913  -4.533
  701   1HB   LEU  86           HB2      LEU  86   3.120  18.332  -5.173
  702   2HB   LEU  86           HB1      LEU  86   2.553  18.732  -3.565
  703    HG   LEU  86           HG       LEU  86   4.560  17.573  -2.626
  704   1HD1  LEU  86          2HD1      LEU  86   5.405  17.512  -5.520
  705   2HD1  LEU  86          1HD1      LEU  86   6.454  17.173  -4.143
  706   3HD1  LEU  86          3HD1      LEU  86   5.082  16.119  -4.487
  707   1HD2  LEU  86          2HD2      LEU  86   5.064  19.883  -4.497
  708   2HD2  LEU  86          1HD2      LEU  86   4.503  19.988  -2.830
  709   3HD2  LEU  86          3HD2      LEU  86   6.122  19.383  -3.178
  710    H    LYS  87           HN       LYS  87   0.571  17.459  -2.499
  711    HA   LYS  87           HA       LYS  87   1.833  16.740  -0.047
  712   1HB   LYS  87           HB2      LYS  87   0.136  18.590  -0.406
  713   2HB   LYS  87           HB1      LYS  87  -1.098  17.340  -0.455
  714   1HG   LYS  87           HG2      LYS  87  -0.732  16.746   1.795
  715   2HG   LYS  87           HG1      LYS  87   0.766  17.674   1.876
  716   1HD   LYS  87           HD2      LYS  87  -0.473  19.750   1.662
  717   2HD   LYS  87           HD1      LYS  87  -1.981  18.857   1.464
  718   1HE   LYS  87           HE2      LYS  87  -1.745  19.728   3.736
  719   2HE   LYS  87           HE1      LYS  87  -1.770  17.967   3.719
  720   1HZ   LYS  87           HZ2      LYS  87   0.689  18.036   3.838
  721   2HZ   LYS  87           HZ1      LYS  87   0.609  19.718   4.028
  722   3HZ   LYS  87           HZ3      LYS  87  -0.074  18.699   5.198
  723    H    LEU  88           HN       LEU  88  -0.856  15.290  -1.890
  724    HA   LEU  88           HA       LEU  88  -1.170  13.153  -0.019
  725   1HB   LEU  88           HB2      LEU  88  -2.468  12.101  -2.003
  726   2HB   LEU  88           HB1      LEU  88  -3.110  13.477  -1.130
  727    HG   LEU  88           HG       LEU  88  -1.597  14.519  -3.269
  728   1HD1  LEU  88          1HD1      LEU  88  -1.765  12.326  -4.323
  729   2HD1  LEU  88          3HD1      LEU  88  -3.519  12.362  -4.118
  730   3HD1  LEU  88          2HD1      LEU  88  -2.730  13.530  -5.180
  731   1HD2  LEU  88          2HD2      LEU  88  -4.561  14.275  -2.799
  732   2HD2  LEU  88          1HD2      LEU  88  -3.511  15.567  -2.221
  733   3HD2  LEU  88          3HD2      LEU  88  -3.795  15.369  -3.950
  734    H    LYS  89           HN       LYS  89   0.767  13.553  -2.917
  735    HA   LYS  89           HA       LYS  89   1.273  10.769  -3.206
  736   1HB   LYS  89           HB2      LYS  89   2.936  11.347  -4.839
  737   2HB   LYS  89           HB1      LYS  89   1.517  12.347  -5.084
  738   1HG   LYS  89           HG2      LYS  89   3.057  13.964  -5.295
  739   2HG   LYS  89           HG1      LYS  89   2.947  13.993  -3.536
  740   1HD   LYS  89           HD2      LYS  89   5.228  13.934  -3.946
  741   2HD   LYS  89           HD1      LYS  89   4.835  12.254  -3.594
  742   1HE   LYS  89           HE2      LYS  89   5.030  13.396  -6.381
  743   2HE   LYS  89           HE1      LYS  89   6.361  12.589  -5.557
  744   1HZ   LYS  89           HZ3      LYS  89   3.734  11.341  -6.166
  745   2HZ   LYS  89           HZ2      LYS  89   5.149  11.114  -7.064
  746   3HZ   LYS  89           HZ1      LYS  89   5.072  10.576  -5.457
  747    H    ARG  90           HN       ARG  90   2.968  13.358  -1.471
  748    HA   ARG  90           HA       ARG  90   5.166  11.716  -0.747
  749   1HB   ARG  90           HB2      ARG  90   5.585  13.347   1.075
  750   2HB   ARG  90           HB1      ARG  90   5.404  14.107  -0.497
  751   1HG   ARG  90           HG2      ARG  90   3.531  15.202   0.100
  752   2HG   ARG  90           HG1      ARG  90   2.958  13.891   1.130
  753   1HD   ARG  90           HD2      ARG  90   5.239  15.726   1.841
  754   2HD   ARG  90           HD1      ARG  90   3.571  15.983   2.352
  755    HE   ARG  90           HE       ARG  90   4.972  13.484   3.042
  756   1HH1  ARG  90          1HH1      ARG  90   3.361  16.442   4.022
  757   2HH1  ARG  90          2HH1      ARG  90   3.231  15.961   5.692
  758   1HH2  ARG  90          1HH2      ARG  90   4.779  12.840   5.226
  759   2HH2  ARG  90          2HH2      ARG  90   4.060  13.932   6.373
  760    H    ALA  91           HN       ALA  91   2.025  12.367   0.691
  761    HA   ALA  91           HA       ALA  91   2.380  10.828   3.034
  762   1HB   ALA  91           HB2      ALA  91  -0.167  11.458   1.551
  763   2HB   ALA  91           HB1      ALA  91  -0.040  10.916   3.224
  764   3HB   ALA  91           HB3      ALA  91   0.599  12.493   2.757
  765    H    VAL  92           HN       VAL  92   1.037  10.067  -0.162
  766    HA   VAL  92           HA       VAL  92   0.330   7.403   0.537
  767    HB   VAL  92           HB       VAL  92  -0.638   8.838  -1.376
  768   1HG1  VAL  92          3HG1      VAL  92   1.768   7.674  -2.770
  769   2HG1  VAL  92          2HG1      VAL  92   0.389   8.425  -3.576
  770   3HG1  VAL  92          1HG1      VAL  92   1.421   9.384  -2.512
  771   1HG2  VAL  92          3HG2      VAL  92  -1.306   6.544  -0.915
  772   2HG2  VAL  92          2HG2      VAL  92  -1.211   6.826  -2.655
  773   3HG2  VAL  92          1HG2      VAL  92   0.075   5.940  -1.836
  774    H    GLU  93           HN       GLU  93   3.194   8.895  -0.813
  775    HA   GLU  93           HA       GLU  93   4.528   6.509  -1.481
  776   1HB   GLU  93           HB2      GLU  93   5.303   9.322  -1.056
  777   2HB   GLU  93           HB1      GLU  93   6.578   8.128  -0.861
  778   1HG   GLU  93           HG2      GLU  93   6.117   7.250  -3.083
  779   2HG   GLU  93           HG1      GLU  93   4.809   8.414  -3.277
  780    H    GLU  94           HN       GLU  94   4.085   8.174   1.560
  781    HA   GLU  94           HA       GLU  94   5.816   6.461   3.023
  782   1HB   GLU  94           HB2      GLU  94   3.395   8.044   3.904
  783   2HB   GLU  94           HB1      GLU  94   4.459   7.176   5.007
  784   1HG   GLU  94           HG2      GLU  94   6.348   8.544   4.236
  785   2HG   GLU  94           HG1      GLU  94   5.252   9.435   3.181
  786    H    VAL  95           HN       VAL  95   2.449   6.242   1.992
  787    HA   VAL  95           HA       VAL  95   1.951   3.690   3.141
  788    HB   VAL  95           HB       VAL  95   0.732   4.902   0.660
  789   1HG1  VAL  95          2HG1      VAL  95  -0.136   2.535   2.323
  790   2HG1  VAL  95          1HG1      VAL  95  -1.066   3.254   1.006
  791   3HG1  VAL  95          3HG1      VAL  95   0.487   2.481   0.677
  792   1HG2  VAL  95          3HG2      VAL  95   0.320   6.252   2.650
  793   2HG2  VAL  95          2HG2      VAL  95  -1.161   5.451   2.121
  794   3HG2  VAL  95          1HG2      VAL  95  -0.268   4.826   3.509
  795    H    LYS  96           HN       LYS  96   3.483   4.770   0.195
  796    HA   LYS  96           HA       LYS  96   3.731   2.380  -1.185
  797   1HB   LYS  96           HB2      LYS  96   4.575   4.844  -1.657
  798   2HB   LYS  96           HB1      LYS  96   6.078   4.220  -0.998
  799   1HG   LYS  96           HG2      LYS  96   6.285   3.953  -3.292
  800   2HG   LYS  96           HG1      LYS  96   5.841   2.348  -2.703
  801   1HD   LYS  96           HD2      LYS  96   3.592   2.619  -3.411
  802   2HD   LYS  96           HD1      LYS  96   3.836   4.337  -3.735
  803   1HE   LYS  96           HE2      LYS  96   5.185   2.071  -5.192
  804   2HE   LYS  96           HE1      LYS  96   3.807   2.992  -5.794
  805   1HZ   LYS  96           HZ3      LYS  96   6.402   4.248  -5.077
  806   2HZ   LYS  96           HZ2      LYS  96   6.042   3.709  -6.640
  807   3HZ   LYS  96           HZ1      LYS  96   5.118   4.947  -5.936
  808    H    LYS  97           HN       LYS  97   5.595   3.640   1.530
  809    HA   LYS  97           HA       LYS  97   7.280   1.315   1.652
  810   1HB   LYS  97           HB2      LYS  97   6.942   3.682   3.485
  811   2HB   LYS  97           HB1      LYS  97   8.016   2.339   3.855
  812   1HG   LYS  97           HG2      LYS  97   8.196   4.140   1.445
  813   2HG   LYS  97           HG1      LYS  97   9.252   4.170   2.858
  814   1HD   LYS  97           HD2      LYS  97  10.027   1.918   2.357
  815   2HD   LYS  97           HD1      LYS  97   8.931   1.825   0.980
  816   1HE   LYS  97           HE2      LYS  97  11.155   2.311   0.196
  817   2HE   LYS  97           HE1      LYS  97  10.125   3.719  -0.057
  818   1HZ   LYS  97           HZ3      LYS  97  11.870   3.441   2.318
  819   2HZ   LYS  97           HZ2      LYS  97  12.412   4.149   0.878
  820   3HZ   LYS  97           HZ1      LYS  97  11.119   4.843   1.731
  821    H    LEU  98           HN       LEU  98   4.200   2.228   2.933
  822    HA   LEU  98           HA       LEU  98   4.189   0.327   5.079
  823   1HB   LEU  98           HB2      LEU  98   1.950   1.733   3.631
  824   2HB   LEU  98           HB1      LEU  98   1.693   0.679   5.003
  825    HG   LEU  98           HG       LEU  98   3.216   3.291   5.025
  826   1HD1  LEU  98          1HD1      LEU  98   0.753   3.458   4.734
  827   2HD1  LEU  98          3HD1      LEU  98   0.551   2.559   6.238
  828   3HD1  LEU  98          2HD1      LEU  98   1.326   4.144   6.258
  829   1HD2  LEU  98          1HD2      LEU  98   4.104   1.645   6.632
  830   2HD2  LEU  98          3HD2      LEU  98   3.317   3.002   7.434
  831   3HD2  LEU  98          2HD2      LEU  98   2.487   1.451   7.308
  832    H    LEU  99           HN       LEU  99   2.828   0.447   1.860
  833    HA   LEU  99           HA       LEU  99   1.472  -1.972   1.929
  834   1HB   LEU  99           HB2      LEU  99   1.260  -1.718  -0.530
  835   2HB   LEU  99           HB1      LEU  99   0.700  -0.368   0.427
  836    HG   LEU  99           HG       LEU  99   2.880   0.776  -0.097
  837   1HD1  LEU  99          2HD1      LEU  99   3.066  -1.445  -2.121
  838   2HD1  LEU  99          1HD1      LEU  99   4.034   0.030  -2.137
  839   3HD1  LEU  99          3HD1      LEU  99   4.193  -1.113  -0.805
  840   1HD2  LEU  99          3HD2      LEU  99   0.992   0.125  -2.350
  841   2HD2  LEU  99          2HD2      LEU  99   0.802   1.407  -1.153
  842   3HD2  LEU  99          1HD2      LEU  99   2.121   1.481  -2.321
  843    H    VAL 100           HN       VAL 100   4.554  -1.967   2.328
  844    HA   VAL 100           HA       VAL 100   5.411  -3.843   0.328
  845    HB   VAL 100           HB       VAL 100   6.668  -3.134   2.980
  846   1HG1  VAL 100          2HG1      VAL 100   7.401  -5.311   2.161
  847   2HG1  VAL 100          1HG1      VAL 100   7.825  -4.593   0.608
  848   3HG1  VAL 100          3HG1      VAL 100   8.708  -4.131   2.064
  849   1HG2  VAL 100          1HG2      VAL 100   7.268  -2.111   0.208
  850   2HG2  VAL 100          3HG2      VAL 100   6.529  -1.196   1.524
  851   3HG2  VAL 100          2HG2      VAL 100   8.202  -1.742   1.658
  852    HA   PRO 101           HA       PRO 101   3.166  -7.087   2.408
  853   1HB   PRO 101           HB2      PRO 101   3.793  -9.062   0.677
  854   2HB   PRO 101           HB1      PRO 101   2.645  -7.778   0.270
  855   1HG   PRO 101           HG2      PRO 101   5.561  -7.987  -0.414
  856   2HG   PRO 101           HG1      PRO 101   4.198  -7.587  -1.478
  857   1HD   PRO 101           HD2      PRO 101   5.777  -5.686  -0.436
  858   2HD   PRO 101           HD1      PRO 101   4.033  -5.433  -0.659
  859    H    ALA 102           HN       ALA 102   6.247  -6.495   2.738
  860    HA   ALA 102           HA       ALA 102   7.806  -7.230   4.179
  861   1HB   ALA 102           HB1      ALA 102   7.184  -8.783   5.919
  862   2HB   ALA 102           HB2      ALA 102   5.759  -9.278   5.002
  863   3HB   ALA 102           HB3      ALA 102   5.870  -7.633   5.639
  864    H    ALA 103           HN       ALA 103   8.745  -9.585   4.988
  865    HA   ALA 103           HA       ALA 103  10.076 -11.309   4.386
  866   1HB   ALA 103           HB1      ALA 103   8.003 -12.403   3.681
  867   2HB   ALA 103           HB3      ALA 103   8.178 -11.679   2.083
  868   3HB   ALA 103           HB2      ALA 103   9.369 -12.843   2.655
  869    H    GLU 104           HN       GLU 104  11.968 -10.456   3.897
  870    HA   GLU 104           HA       GLU 104  13.757  -9.852   2.667
  871   1HB   GLU 104           HB2      GLU 104  13.037 -11.657   1.137
  872   2HB   GLU 104           HB1      GLU 104  12.030 -10.509   0.269
  873   1HG   GLU 104           HG2      GLU 104  14.116 -10.956  -0.893
  874   2HG   GLU 104           HG1      GLU 104  13.987  -9.267  -0.405
  875    H    GLY 105           HN       GLY 105  14.538  -8.144   1.247
  876   1HA   GLY 105           HA1      GLY 105  13.880  -5.645   1.824
  877   2HA   GLY 105           HA2      GLY 105  12.642  -6.007   0.627
  878    H    GLU 106           HN       GLU 106  13.650  -7.153  -1.392
  879    HA   GLU 106           HA       GLU 106  16.341  -6.391  -2.007
  880   1HB   GLU 106           HB2      GLU 106  14.185  -7.675  -3.665
  881   2HB   GLU 106           HB1      GLU 106  15.793  -7.309  -4.278
  882   1HG   GLU 106           HG2      GLU 106  16.743  -8.739  -2.498
  883   2HG   GLU 106           HG1      GLU 106  15.100  -9.168  -2.018
  884    H    ASP 107           HN       ASP 107  16.340  -4.192  -1.859
  885    HA   ASP 107           HA       ASP 107  15.629  -2.927  -4.383
  886   1HB   ASP 107           HB2      ASP 107  13.842  -2.267  -2.803
  887   2HB   ASP 107           HB1      ASP 107  15.069  -1.629  -1.711
  888    H    SER 108           HN       SER 108  17.090  -2.287  -1.258
  889    HA   SER 108           HA       SER 108  19.170  -0.728  -2.435
  890   1HB   SER 108           HB2      SER 108  19.931  -0.588  -0.052
  891   2HB   SER 108           HB1      SER 108  18.265  -0.073  -0.333
  892    HG   SER 108           HG       SER 108  18.236  -1.409   1.428
  893    H    LEU 109           HN       LEU 109  18.784  -3.938  -1.144
  894    HA   LEU 109           HA       LEU 109  21.456  -4.718  -0.938
  895   1HB   LEU 109           HB2      LEU 109  19.059  -6.409  -1.658
  896   2HB   LEU 109           HB1      LEU 109  20.608  -7.026  -1.115
  897    HG   LEU 109           HG       LEU 109  18.754  -5.298   0.529
  898   1HD1  LEU 109          1HD1      LEU 109  19.344  -8.253   0.659
  899   2HD1  LEU 109          3HD1      LEU 109  18.386  -7.346   1.830
  900   3HD1  LEU 109          2HD1      LEU 109  17.823  -7.508   0.168
  901   1HD2  LEU 109          3HD2      LEU 109  21.324  -6.708   1.249
  902   2HD2  LEU 109          2HD2      LEU 109  21.090  -4.963   1.123
  903   3HD2  LEU 109          1HD2      LEU 109  20.257  -5.877   2.383
  904    H    LYS 110           HN       LYS 110  19.226  -4.921  -3.686
  905    HA   LYS 110           HA       LYS 110  21.283  -6.106  -5.346
  906   1HB   LYS 110           HB2      LYS 110  18.418  -5.369  -5.954
  907   2HB   LYS 110           HB1      LYS 110  19.509  -6.145  -7.096
  908   1HG   LYS 110           HG2      LYS 110  18.583  -7.283  -4.461
  909   2HG   LYS 110           HG1      LYS 110  18.056  -7.788  -6.068
  910   1HD   LYS 110           HD2      LYS 110  20.297  -8.541  -6.604
  911   2HD   LYS 110           HD1      LYS 110  20.897  -7.941  -5.057
  912   1HE   LYS 110           HE2      LYS 110  20.600 -10.330  -4.923
  913   2HE   LYS 110           HE1      LYS 110  19.403  -9.536  -3.901
  914   1HZ   LYS 110           HZ2      LYS 110  18.807 -10.431  -6.666
  915   2HZ   LYS 110           HZ1      LYS 110  18.568 -11.416  -5.306
  916   3HZ   LYS 110           HZ3      LYS 110  17.704  -9.966  -5.459
  917    H    LYS 111           HN       LYS 111  19.180  -3.214  -5.698
  918    HA   LYS 111           HA       LYS 111  20.587  -2.327  -7.988
  919   1HB   LYS 111           HB2      LYS 111  18.616  -0.929  -6.199
  920   2HB   LYS 111           HB1      LYS 111  19.307  -0.175  -7.626
  921   1HG   LYS 111           HG2      LYS 111  18.396  -2.154  -8.929
  922   2HG   LYS 111           HG1      LYS 111  17.478  -2.552  -7.474
  923   1HD   LYS 111           HD2      LYS 111  17.376   0.126  -8.853
  924   2HD   LYS 111           HD1      LYS 111  16.229  -1.178  -9.152
  925   1HE   LYS 111           HE2      LYS 111  16.725  -0.135  -6.383
  926   2HE   LYS 111           HE1      LYS 111  15.586   0.656  -7.470
  927   1HZ   LYS 111           HZ1      LYS 111  15.441  -2.225  -6.751
  928   2HZ   LYS 111           HZ3      LYS 111  14.574  -1.003  -5.951
  929   3HZ   LYS 111           HZ2      LYS 111  14.288  -1.311  -7.594
  930    H    MET 112           HN       MET 112  20.811  -1.401  -4.580
  931    HA   MET 112           HA       MET 112  22.465   0.862  -5.176
  932   1HB   MET 112           HB2      MET 112  21.660  -0.445  -2.588
  933   2HB   MET 112           HB1      MET 112  22.807   0.889  -2.644
  934   1HG   MET 112           HG2      MET 112  21.139   2.303  -3.704
  935   2HG   MET 112           HG1      MET 112  19.989   0.970  -3.696
  936   1HE   MET 112           HE1      MET 112  22.554   1.813  -0.850
  937   2HE   MET 112           HE3      MET 112  22.117   3.413  -1.447
  938   3HE   MET 112           HE2      MET 112  21.619   2.908   0.168
  939    H    LYS 113           HN       LYS 113  23.057  -2.484  -4.608
  940    HA   LYS 113           HA       LYS 113  25.810  -2.187  -3.884
  941   1HB   LYS 113           HB2      LYS 113  24.051  -4.268  -3.851
  942   2HB   LYS 113           HB1      LYS 113  24.980  -4.652  -5.288
  943   1HG   LYS 113           HG2      LYS 113  26.326  -4.068  -2.671
  944   2HG   LYS 113           HG1      LYS 113  25.700  -5.668  -3.049
  945   1HD   LYS 113           HD2      LYS 113  27.863  -5.909  -3.757
  946   2HD   LYS 113           HD1      LYS 113  27.119  -5.338  -5.249
  947   1HE   LYS 113           HE2      LYS 113  27.932  -3.128  -4.909
  948   2HE   LYS 113           HE1      LYS 113  28.445  -3.504  -3.259
  949   1HZ   LYS 113           HZ3      LYS 113  30.016  -5.150  -4.293
  950   2HZ   LYS 113           HZ2      LYS 113  29.635  -4.466  -5.802
  951   3HZ   LYS 113           HZ1      LYS 113  30.368  -3.517  -4.602
  952    H    LEU 114           HN       LEU 114  24.030  -2.452  -6.918
  953    HA   LEU 114           HA       LEU 114  26.545  -2.690  -8.344
  954   1HB   LEU 114           HB2      LEU 114  23.704  -2.869  -9.345
  955   2HB   LEU 114           HB1      LEU 114  25.128  -3.085 -10.344
  956    HG   LEU 114           HG       LEU 114  24.320  -4.848  -8.028
  957   1HD1  LEU 114          2HD1      LEU 114  22.873  -5.114  -9.968
  958   2HD1  LEU 114          1HD1      LEU 114  24.285  -5.341 -11.002
  959   3HD1  LEU 114          3HD1      LEU 114  23.905  -6.528  -9.752
  960   1HD2  LEU 114          2HD2      LEU 114  26.746  -4.708  -8.260
  961   2HD2  LEU 114          1HD2      LEU 114  26.156  -6.292  -8.761
  962   3HD2  LEU 114          3HD2      LEU 114  26.615  -5.097  -9.974
  963    H    MET 115           HN       MET 115  23.576  -0.747  -8.761
  964    HA   MET 115           HA       MET 115  24.998   1.044 -10.531
  965   1HB   MET 115           HB2      MET 115  22.697   0.344 -11.021
  966   2HB   MET 115           HB1      MET 115  22.144   1.101  -9.536
  967   1HG   MET 115           HG2      MET 115  22.847   3.289 -10.407
  968   2HG   MET 115           HG1      MET 115  23.345   2.513 -11.910
  969   1HE   MET 115           HE1      MET 115  20.357   3.527  -9.599
  970   2HE   MET 115           HE3      MET 115  18.976   2.806 -10.433
  971   3HE   MET 115           HE2      MET 115  20.175   1.773  -9.654
  972    H    GLU 116           HN       GLU 116  23.269   1.354  -7.447
  973    HA   GLU 116           HA       GLU 116  23.772   4.132  -7.181
  974   1HB   GLU 116           HB2      GLU 116  22.998   2.166  -5.030
  975   2HB   GLU 116           HB1      GLU 116  22.798   3.912  -4.976
  976   1HG   GLU 116           HG2      GLU 116  21.465   2.195  -7.046
  977   2HG   GLU 116           HG1      GLU 116  20.737   2.538  -5.479
  978    H    LEU 117           HN       LEU 117  25.698   1.445  -6.688
  979    HA   LEU 117           HA       LEU 117  27.271   2.248  -4.471
  980   1HB   LEU 117           HB2      LEU 117  26.991  -0.064  -5.614
  981   2HB   LEU 117           HB1      LEU 117  28.224   0.493  -6.720
  982    HG   LEU 117           HG       LEU 117  28.921  -0.999  -4.743
  983   1HD1  LEU 117          2HD1      LEU 117  30.505   0.167  -6.204
  984   2HD1  LEU 117          1HD1      LEU 117  30.374   1.605  -5.193
  985   3HD1  LEU 117          3HD1      LEU 117  31.064   0.124  -4.532
  986   1HD2  LEU 117          1HD2      LEU 117  28.628   1.643  -3.318
  987   2HD2  LEU 117          3HD2      LEU 117  27.706   0.173  -3.001
  988   3HD2  LEU 117          2HD2      LEU 117  29.440   0.216  -2.676
  989    H    ALA 118           HN       ALA 118  27.154   3.195  -7.763
  990    HA   ALA 118           HA       ALA 118  28.275   4.742  -8.983
  991   1HB   ALA 118           HB2      ALA 118  29.635   5.430  -6.376
  992   2HB   ALA 118           HB3      ALA 118  28.167   6.172  -7.009
  993   3HB   ALA 118           HB1      ALA 118  29.700   6.389  -7.854
  994    H    ILE 119           HN       ILE 119  29.072   2.157  -9.059
  995    HA   ILE 119           HA       ILE 119  31.659   1.407  -8.706
  996    HB   ILE 119           HB       ILE 119  31.332   0.254 -11.049
  997   1HG1  ILE 119          2HG1      ILE 119  28.497   1.048 -10.354
  998   2HG1  ILE 119          1HG1      ILE 119  29.424   1.693 -11.705
  999   1HG2  ILE 119          2HG2      ILE 119  31.328  -0.864  -8.878
 1000   2HG2  ILE 119          1HG2      ILE 119  29.638  -0.414  -8.648
 1001   3HG2  ILE 119          3HG2      ILE 119  30.088  -1.527  -9.941
 1002   1HD1  ILE 119          2HD1      ILE 119  29.530  -0.543 -12.688
 1003   2HD1  ILE 119          1HD1      ILE 119  28.587  -1.175 -11.338
 1004   3HD1  ILE 119          3HD1      ILE 119  27.869  -0.007 -12.444
 1005    H    LEU 120           HN       LEU 120  30.653   2.508 -11.930
 1006    HA   LEU 120           HA       LEU 120  33.272   3.600 -12.420
 1007   1HB   LEU 120           HB2      LEU 120  30.782   3.312 -14.049
 1008   2HB   LEU 120           HB1      LEU 120  31.997   4.468 -14.556
 1009    HG   LEU 120           HG       LEU 120  32.325   2.412 -15.755
 1010   1HD1  LEU 120          3HD1      LEU 120  34.309   3.676 -15.074
 1011   2HD1  LEU 120          2HD1      LEU 120  34.425   2.695 -13.613
 1012   3HD1  LEU 120          1HD1      LEU 120  34.634   1.946 -15.196
 1013   1HD2  LEU 120          2HD2      LEU 120  32.538   1.082 -13.055
 1014   2HD2  LEU 120          1HD2      LEU 120  31.225   0.880 -14.215
 1015   3HD2  LEU 120          3HD2      LEU 120  32.844   0.308 -14.612
 1016    H    ASN 121           HN       ASN 121  33.388   5.118 -10.791
 1017    HA   ASN 121           HA       ASN 121  31.560   7.371 -10.789
 1018   1HB   ASN 121           HB2      ASN 121  33.015   8.163  -8.887
 1019   2HB   ASN 121           HB1      ASN 121  32.247   6.600  -8.622
 1020   1HD2  ASN 121          1HD2      ASN 121  33.494   4.756  -8.554
 1021   2HD2  ASN 121          2HD2      ASN 121  35.216   4.794  -8.446
 1022    H    GLY 122           HN       GLY 122  34.719   6.559 -11.978
 1023   1HA   GLY 122           HA1      GLY 122  35.153   9.386 -12.704
 1024   2HA   GLY 122           HA2      GLY 122  35.391   8.089 -13.864
 1025    H    THR 123           HN       THR 123  36.312   8.473 -10.455
 1026    HA   THR 123           HA       THR 123  39.040   8.913 -10.796
 1027    HB   THR 123           HB       THR 123  37.689   7.397  -8.546
 1028    HG1  THR 123           HG1      THR 123  37.637   9.504  -7.548
 1029   1HG2  THR 123          3HG2      THR 123  40.308   8.900  -8.625
 1030   2HG2  THR 123          2HG2      THR 123  39.576   8.192  -7.186
 1031   3HG2  THR 123          1HG2      THR 123  40.110   7.152  -8.506
 1032    H    TYR 124           HN       TYR 124  37.266   5.886 -10.322
 1033    HA   TYR 124           HA       TYR 124  39.640   4.375 -11.147
 1034   1HB   TYR 124           HB2      TYR 124  37.068   3.254 -10.026
 1035   2HB   TYR 124           HB1      TYR 124  38.627   2.446 -10.158
 1036    HD1  TYR 124           HD1      TYR 124  36.517   4.532  -8.103
 1037    HD2  TYR 124           HD2      TYR 124  40.525   3.231  -8.701
 1038    HE1  TYR 124           HE1      TYR 124  37.083   5.235  -5.813
 1039    HE2  TYR 124           HE2      TYR 124  41.098   3.928  -6.416
 1040    HH   TYR 124           HH       TYR 124  40.275   5.524  -4.719
 1041    H    ARG 125           HN       ARG 125  39.425   4.925 -13.376
 1042    HA   ARG 125           HA       ARG 125  37.072   4.148 -14.823
 1043   1HB   ARG 125           HB2      ARG 125  38.594   5.985 -15.579
 1044   2HB   ARG 125           HB1      ARG 125  39.828   4.775 -15.903
 1045   1HG   ARG 125           HG2      ARG 125  38.685   5.415 -17.944
 1046   2HG   ARG 125           HG1      ARG 125  38.369   3.723 -17.555
 1047   1HD   ARG 125           HD2      ARG 125  36.222   4.460 -16.498
 1048   2HD   ARG 125           HD1      ARG 125  36.530   6.074 -17.137
 1049    HE   ARG 125           HE       ARG 125  36.709   4.505 -19.334
 1050   1HH1  ARG 125          1HH1      ARG 125  34.274   4.946 -16.857
 1051   2HH1  ARG 125          2HH1      ARG 125  32.956   4.419 -17.867
 1052   1HH2  ARG 125          1HH2      ARG 125  34.982   3.842 -20.688
 1053   2HH2  ARG 125          2HH2      ARG 125  33.361   3.801 -20.052
 1054    H    ASP 126           HN       ASP 126  39.987   2.748 -13.746
 1055    HA   ASP 126           HA       ASP 126  40.311   0.475 -15.283
 1056   1HB   ASP 126           HB2      ASP 126  41.802   1.169 -13.449
 1057   2HB   ASP 126           HB1      ASP 126  40.552   0.778 -12.276
 1058    H    ALA 127           HN       ALA 127  37.846   1.253 -12.961
 1059    HA   ALA 127           HA       ALA 127  36.853  -1.339 -12.463
 1060   1HB   ALA 127           HB3      ALA 127  35.447   1.318 -12.254
 1061   2HB   ALA 127           HB2      ALA 127  34.902  -0.200 -11.540
 1062   3HB   ALA 127           HB1      ALA 127  36.401   0.546 -10.988
 1063    H    ASN 128           HN       ASN 128  36.613   0.652 -15.218
 1064    HA   ASN 128           HA       ASN 128  34.084  -0.124 -16.214
 1065   1HB   ASN 128           HB2      ASN 128  35.395   1.736 -17.186
 1066   2HB   ASN 128           HB1      ASN 128  36.590   0.581 -17.768
 1067   1HD2  ASN 128          1HD2      ASN 128  36.306   1.114 -19.908
 1068   2HD2  ASN 128          2HD2      ASN 128  34.869   0.692 -20.794
 1069    H    LEU 129           HN       LEU 129  37.311  -1.491 -16.530
 1070    HA   LEU 129           HA       LEU 129  36.277  -3.831 -17.902
 1071   1HB   LEU 129           HB2      LEU 129  39.049  -3.004 -17.059
 1072   2HB   LEU 129           HB1      LEU 129  38.702  -4.602 -17.688
 1073    HG   LEU 129           HG       LEU 129  37.851  -3.502 -19.775
 1074   1HD1  LEU 129          3HD1      LEU 129  37.434  -1.273 -18.879
 1075   2HD1  LEU 129          2HD1      LEU 129  39.159  -1.062 -18.584
 1076   3HD1  LEU 129          1HD1      LEU 129  38.560  -1.211 -20.235
 1077   1HD2  LEU 129          1HD2      LEU 129  40.050  -4.533 -19.643
 1078   2HD2  LEU 129          3HD2      LEU 129  40.075  -3.109 -20.683
 1079   3HD2  LEU 129          2HD2      LEU 129  40.732  -3.020 -19.049
 1080    H    LYS 130           HN       LYS 130  37.772  -2.952 -14.815
 1081    HA   LYS 130           HA       LYS 130  37.912  -3.995 -12.808
 1082   1HB   LYS 130           HB2      LYS 130  35.432  -3.780 -12.977
 1083   2HB   LYS 130           HB1      LYS 130  35.364  -5.383 -13.692
 1084   1HG   LYS 130           HG2      LYS 130  34.774  -5.627 -11.422
 1085   2HG   LYS 130           HG1      LYS 130  36.413  -6.256 -11.580
 1086   1HD   LYS 130           HD2      LYS 130  36.274  -4.936  -9.574
 1087   2HD   LYS 130           HD1      LYS 130  37.272  -4.078 -10.748
 1088   1HE   LYS 130           HE2      LYS 130  35.386  -2.657 -11.337
 1089   2HE   LYS 130           HE1      LYS 130  34.353  -3.536 -10.212
 1090   1HZ   LYS 130           HZ2      LYS 130  35.765  -2.793  -8.393
 1091   2HZ   LYS 130           HZ1      LYS 130  36.747  -1.936  -9.473
 1092   3HZ   LYS 130           HZ3      LYS 130  35.133  -1.471  -9.243
 1093    H    SER 131           HN       SER 131  36.292  -6.865 -13.615
 1094    HA   SER 131           HA       SER 131  38.411  -8.279 -14.874
 1095   1HB   SER 131           HB2      SER 131  37.866  -8.834 -11.945
 1096   2HB   SER 131           HB1      SER 131  38.719  -9.954 -13.009
 1097    HG   SER 131           HG       SER 131  39.705  -7.392 -13.091
 1098    HA   PRO 132           HA       PRO 132  34.211  -9.846 -15.725
 1099   1HB   PRO 132           HB2      PRO 132  35.474 -10.721 -18.230
 1100   2HB   PRO 132           HB1      PRO 132  34.080  -9.665 -17.991
 1101   1HG   PRO 132           HG2      PRO 132  36.443  -8.726 -18.861
 1102   2HG   PRO 132           HG1      PRO 132  35.382  -7.769 -17.812
 1103   1HD   PRO 132           HD2      PRO 132  37.839  -9.333 -17.107
 1104   2HD   PRO 132           HD1      PRO 132  37.323  -7.731 -16.537
 1105    H    ALA 133           HN       ALA 133  37.320 -11.397 -16.125
 1106    HA   ALA 133           HA       ALA 133  36.573 -13.820 -14.902
 1107   1HB   ALA 133           HB2      ALA 133  36.847 -13.947 -17.904
 1108   2HB   ALA 133           HB3      ALA 133  35.362 -14.218 -16.990
 1109   3HB   ALA 133           HB1      ALA 133  36.717 -15.336 -16.822
 1110    H    LEU 134           HN       LEU 134  38.629 -12.043 -17.001
 1111    HA   LEU 134           HA       LEU 134  40.981 -13.394 -15.892
 1112   1HB   LEU 134           HB2      LEU 134  42.198 -12.837 -17.926
 1113   2HB   LEU 134           HB1      LEU 134  40.784 -13.801 -18.296
 1114    HG   LEU 134           HG       LEU 134  40.741 -10.803 -18.579
 1115   1HD1  LEU 134          3HD1      LEU 134  41.592 -12.833 -20.642
 1116   2HD1  LEU 134          2HD1      LEU 134  41.288 -11.123 -20.950
 1117   3HD1  LEU 134          1HD1      LEU 134  42.621 -11.609 -19.900
 1118   1HD2  LEU 134          2HD2      LEU 134  38.587 -11.975 -18.603
 1119   2HD2  LEU 134          1HD2      LEU 134  38.965 -11.294 -20.187
 1120   3HD2  LEU 134          3HD2      LEU 134  39.172 -13.021 -19.898

  No H/Q in entry =        1120
  Start of MODEL   10
    1    H1   GLN   1           HT2      GLN   1 -11.217  15.638 -11.864
    2    H2   GLN   1           HT1      GLN   1 -12.093  14.194 -11.682
    3    H3   GLN   1           HT3      GLN   1 -12.512  15.566 -10.774
    4    HA   GLN   1           HA       GLN   1 -10.414  15.487  -9.617
    5   1HB   GLN   1           HB2      GLN   1 -10.950  13.758  -8.165
    6   2HB   GLN   1           HB1      GLN   1 -12.491  14.127  -8.917
    7   1HG   GLN   1           HG2      GLN   1 -11.817  12.216 -10.551
    8   2HG   GLN   1           HG1      GLN   1 -10.737  11.767  -9.237
    9   1HE2  GLN   1          1HE2      GLN   1 -11.611  11.225  -7.234
   10   2HE2  GLN   1          2HE2      GLN   1 -13.240  10.705  -7.074
   11    H    LEU   2           HN       LEU   2  -8.493  14.232  -9.126
   12    HA   LEU   2           HA       LEU   2  -7.584  12.693 -11.457
   13   1HB   LEU   2           HB2      LEU   2  -6.080  14.371 -11.558
   14   2HB   LEU   2           HB1      LEU   2  -6.417  14.899  -9.925
   15    HG   LEU   2           HG       LEU   2  -4.961  13.033  -9.117
   16   1HD1  LEU   2          3HD1      LEU   2  -4.986  11.639 -11.131
   17   2HD1  LEU   2          2HD1      LEU   2  -4.139  12.906 -12.021
   18   3HD1  LEU   2          1HD1      LEU   2  -3.338  12.083 -10.682
   19   1HD2  LEU   2          2HD2      LEU   2  -3.725  15.161 -10.854
   20   2HD2  LEU   2          1HD2      LEU   2  -4.190  15.321  -9.159
   21   3HD2  LEU   2          3HD2      LEU   2  -2.876  14.236  -9.616
   22    H    GLN   3           HN       GLN   3  -6.840  10.660 -11.082
   23    HA   GLN   3           HA       GLN   3  -6.575   9.829  -8.265
   24   1HB   GLN   3           HB2      GLN   3  -7.567   7.960 -10.398
   25   2HB   GLN   3           HB1      GLN   3  -7.688   7.798  -8.657
   26   1HG   GLN   3           HG2      GLN   3  -9.254   9.830  -8.785
   27   2HG   GLN   3           HG1      GLN   3  -9.335   9.470 -10.510
   28   1HE2  GLN   3          1HE2      GLN   3  -8.975   6.558  -9.894
   29   2HE2  GLN   3          2HE2      GLN   3 -10.516   6.021  -9.317
   30    H    GLU   4           HN       GLU   4  -4.715   8.798  -7.808
   31    HA   GLU   4           HA       GLU   4  -3.324   7.483 -10.047
   32   1HB   GLU   4           HB2      GLU   4  -1.769   8.249  -7.623
   33   2HB   GLU   4           HB1      GLU   4  -1.256   8.138  -9.300
   34   1HG   GLU   4           HG2      GLU   4  -2.850  10.206  -9.587
   35   2HG   GLU   4           HG1      GLU   4  -2.554  10.378  -7.858
   36    H    LYS   5           HN       LYS   5  -3.040   5.345  -9.826
   37    HA   LYS   5           HA       LYS   5  -3.896   4.221  -7.243
   38   1HB   LYS   5           HB2      LYS   5  -3.907   2.588  -9.747
   39   2HB   LYS   5           HB1      LYS   5  -4.867   2.401  -8.299
   40   1HG   LYS   5           HG2      LYS   5  -6.426   3.098  -9.836
   41   2HG   LYS   5           HG1      LYS   5  -5.992   4.595  -9.000
   42   1HD   LYS   5           HD2      LYS   5  -4.704   5.359 -10.799
   43   2HD   LYS   5           HD1      LYS   5  -4.638   3.758 -11.549
   44   1HE   LYS   5           HE2      LYS   5  -7.089   3.909 -11.938
   45   2HE   LYS   5           HE1      LYS   5  -7.051   5.553 -11.303
   46   1HZ   LYS   5           HZ3      LYS   5  -5.471   4.632 -13.645
   47   2HZ   LYS   5           HZ2      LYS   5  -6.964   5.427 -13.761
   48   3HZ   LYS   5           HZ1      LYS   5  -5.624   6.227 -13.090
   49    H    LEU   6           HN       LEU   6  -2.349   3.374  -6.120
   50    HA   LEU   6           HA       LEU   6   0.048   2.406  -7.506
   51   1HB   LEU   6           HB2      LEU   6  -0.244   3.037  -4.569
   52   2HB   LEU   6           HB1      LEU   6   1.243   2.855  -5.489
   53    HG   LEU   6           HG       LEU   6  -0.764   5.071  -5.931
   54   1HD1  LEU   6          3HD1      LEU   6   0.302   5.221  -3.714
   55   2HD1  LEU   6          2HD1      LEU   6   1.884   5.197  -4.495
   56   3HD1  LEU   6          1HD1      LEU   6   0.773   6.538  -4.791
   57   1HD2  LEU   6          2HD2      LEU   6   0.601   4.485  -7.890
   58   2HD2  LEU   6          1HD2      LEU   6   0.980   6.091  -7.265
   59   3HD2  LEU   6          3HD2      LEU   6   2.061   4.740  -6.931
   60    H    TYR   7           HN       TYR   7  -0.300   0.340  -7.966
   61    HA   TYR   7           HA       TYR   7  -2.146  -1.249  -6.488
   62   1HB   TYR   7           HB2      TYR   7  -0.438  -1.654  -8.900
   63   2HB   TYR   7           HB1      TYR   7  -1.104  -3.071  -8.093
   64    HD1  TYR   7           HD1      TYR   7  -3.245  -3.802  -8.680
   65    HD2  TYR   7           HD2      TYR   7  -2.124   0.222  -9.488
   66    HE1  TYR   7           HE1      TYR   7  -5.366  -3.454  -9.875
   67    HE2  TYR   7           HE2      TYR   7  -4.239   0.580 -10.683
   68    HH   TYR   7           HH       TYR   7  -6.845  -1.547 -10.471
   69    H    VAL   8           HN       VAL   8  -1.865  -2.818  -5.096
   70    HA   VAL   8           HA       VAL   8   0.840  -3.917  -4.753
   71    HB   VAL   8           HB       VAL   8  -0.006  -4.602  -2.429
   72   1HG1  VAL   8          1HG1      VAL   8   1.715  -2.923  -2.788
   73   2HG1  VAL   8          3HG1      VAL   8   0.476  -1.685  -2.994
   74   3HG1  VAL   8          2HG1      VAL   8   0.671  -2.487  -1.435
   75   1HG2  VAL   8          2HG2      VAL   8  -2.037  -2.484  -3.124
   76   2HG2  VAL   8          1HG2      VAL   8  -2.331  -4.153  -2.616
   77   3HG2  VAL   8          3HG2      VAL   8  -1.673  -2.982  -1.466
   78    HA   PRO   9           HA       PRO   9  -1.622  -7.078  -6.566
   79   1HB   PRO   9           HB2      PRO   9   0.319  -8.919  -6.967
   80   2HB   PRO   9           HB1      PRO   9   0.143  -7.474  -7.977
   81   1HG   PRO   9           HG2      PRO   9   2.032  -8.003  -5.723
   82   2HG   PRO   9           HG1      PRO   9   2.331  -7.180  -7.269
   83   1HD   PRO   9           HD2      PRO   9   1.901  -5.844  -4.920
   84   2HD   PRO   9           HD1      PRO   9   1.491  -5.175  -6.512
   85    H    VAL  10           HN       VAL  10  -2.867  -7.505  -4.758
   86    HA   VAL  10           HA       VAL  10  -1.986  -9.040  -2.551
   87    HB   VAL  10           HB       VAL  10  -4.004  -7.550  -2.611
   88   1HG1  VAL  10          2HG1      VAL  10  -4.975  -8.305  -4.701
   89   2HG1  VAL  10          1HG1      VAL  10  -5.286  -9.889  -3.993
   90   3HG1  VAL  10          3HG1      VAL  10  -6.123  -8.467  -3.373
   91   1HG2  VAL  10          3HG2      VAL  10  -3.585  -9.058  -0.754
   92   2HG2  VAL  10          2HG2      VAL  10  -5.316  -8.925  -1.072
   93   3HG2  VAL  10          1HG2      VAL  10  -4.428 -10.354  -1.603
   94    H    LYS  11           HN       LYS  11  -2.901  -9.726  -5.723
   95    HA   LYS  11           HA       LYS  11  -3.616 -12.481  -5.455
   96   1HB   LYS  11           HB2      LYS  11  -3.200 -12.542  -7.926
   97   2HB   LYS  11           HB1      LYS  11  -4.310 -11.269  -7.438
   98   1HG   LYS  11           HG2      LYS  11  -2.530  -9.627  -7.607
   99   2HG   LYS  11           HG1      LYS  11  -1.384 -10.897  -8.036
  100   1HD   LYS  11           HD2      LYS  11  -2.080  -9.768 -10.040
  101   2HD   LYS  11           HD1      LYS  11  -2.762 -11.396 -10.030
  102   1HE   LYS  11           HE2      LYS  11  -4.915 -10.586  -9.448
  103   2HE   LYS  11           HE1      LYS  11  -4.286  -8.978  -9.088
  104   1HZ   LYS  11           HZ2      LYS  11  -4.277 -10.220 -11.787
  105   2HZ   LYS  11           HZ1      LYS  11  -5.438  -9.109 -11.243
  106   3HZ   LYS  11           HZ3      LYS  11  -3.818  -8.635 -11.400
  107    H    GLU  12           HN       GLU  12  -0.731 -10.629  -5.681
  108    HA   GLU  12           HA       GLU  12   1.045 -12.827  -6.170
  109   1HB   GLU  12           HB2      GLU  12   1.428  -9.937  -5.455
  110   2HB   GLU  12           HB1      GLU  12   2.767 -11.064  -5.565
  111   1HG   GLU  12           HG2      GLU  12   0.876 -10.341  -7.782
  112   2HG   GLU  12           HG1      GLU  12   2.553  -9.821  -7.621
  113    H    TYR  13           HN       TYR  13  -0.165 -11.045  -3.420
  114    HA   TYR  13           HA       TYR  13   1.398 -12.806  -1.653
  115   1HB   TYR  13           HB2      TYR  13   0.541  -9.984  -0.986
  116   2HB   TYR  13           HB1      TYR  13   1.622 -11.020  -0.059
  117    HD1  TYR  13           HD1      TYR  13   3.917 -11.309  -0.704
  118    HD2  TYR  13           HD2      TYR  13   1.323  -8.875  -3.025
  119    HE1  TYR  13           HE1      TYR  13   5.861 -10.369  -1.861
  120    HE2  TYR  13           HE2      TYR  13   3.262  -7.922  -4.203
  121    HH   TYR  13           HH       TYR  13   5.583  -7.646  -4.024
  122    HA   PRO  14           HA       PRO  14  -3.100 -13.484  -0.773
  123   1HB   PRO  14           HB2      PRO  14  -2.219 -16.251  -0.353
  124   2HB   PRO  14           HB1      PRO  14  -3.482 -15.633  -1.419
  125   1HG   PRO  14           HG2      PRO  14  -1.163 -16.630  -2.365
  126   2HG   PRO  14           HG1      PRO  14  -2.025 -15.309  -3.174
  127   1HD   PRO  14           HD2      PRO  14   0.376 -15.191  -1.384
  128   2HD   PRO  14           HD1      PRO  14   0.039 -14.289  -2.878
  129    H    ASP  15           HN       ASP  15  -0.103 -14.223   0.749
  130    HA   ASP  15           HA       ASP  15  -1.290 -14.863   3.318
  131   1HB   ASP  15           HB2      ASP  15   1.545 -14.744   2.307
  132   2HB   ASP  15           HB1      ASP  15   1.173 -14.964   4.013
  133    H    PHE  16           HN       PHE  16  -0.466 -12.074   1.664
  134    HA   PHE  16           HA       PHE  16  -0.074 -10.589   4.186
  135   1HB   PHE  16           HB2      PHE  16   1.902 -10.687   2.545
  136   2HB   PHE  16           HB1      PHE  16   0.924  -9.641   1.513
  137    HD1  PHE  16           HD1      PHE  16   2.789  -9.886   4.650
  138    HD2  PHE  16           HD2      PHE  16   0.508  -7.354   2.108
  139    HE1  PHE  16           HE1      PHE  16   3.587  -7.921   5.902
  140    HE2  PHE  16           HE2      PHE  16   1.302  -5.386   3.343
  141    HZ   PHE  16           HZ       PHE  16   2.834  -5.666   5.252
  142    H    ASN  17           HN       ASN  17  -2.000  -9.733   4.641
  143    HA   ASN  17           HA       ASN  17  -3.694  -8.773   2.497
  144   1HB   ASN  17           HB2      ASN  17  -5.209  -8.063   4.450
  145   2HB   ASN  17           HB1      ASN  17  -5.004  -9.775   4.135
  146   1HD2  ASN  17          1HD2      ASN  17  -2.849  -7.538   5.920
  147   2HD2  ASN  17          2HD2      ASN  17  -2.935  -8.428   7.410
  148    H    PHE  18           HN       PHE  18  -2.873  -7.005   1.561
  149    HA   PHE  18           HA       PHE  18  -1.502  -4.971   2.859
  150   1HB   PHE  18           HB2      PHE  18  -3.076  -4.889   0.288
  151   2HB   PHE  18           HB1      PHE  18  -2.035  -3.576   0.858
  152    HD1  PHE  18           HD1      PHE  18   0.356  -4.266   1.520
  153    HD2  PHE  18           HD2      PHE  18  -2.128  -6.536  -1.083
  154    HE1  PHE  18           HE1      PHE  18   2.339  -5.370   0.611
  155    HE2  PHE  18           HE2      PHE  18  -0.128  -7.653  -2.024
  156    HZ   PHE  18           HZ       PHE  18   2.101  -7.057  -1.156
  157    H    VAL  19           HN       VAL  19  -4.983  -5.404   2.500
  158    HA   VAL  19           HA       VAL  19  -5.675  -2.881   3.575
  159    HB   VAL  19           HB       VAL  19  -7.833  -4.122   4.209
  160   1HG1  VAL  19          2HG1      VAL  19  -7.606  -2.660   2.279
  161   2HG1  VAL  19          1HG1      VAL  19  -6.935  -3.991   1.338
  162   3HG1  VAL  19          3HG1      VAL  19  -8.610  -4.057   1.888
  163   1HG2  VAL  19          1HG2      VAL  19  -6.917  -6.383   4.207
  164   2HG2  VAL  19          3HG2      VAL  19  -8.218  -6.232   3.029
  165   3HG2  VAL  19          2HG2      VAL  19  -6.538  -6.234   2.492
  166    H    GLY  20           HN       GLY  20  -5.403  -6.098   5.101
  167   1HA   GLY  20           HA1      GLY  20  -4.918  -6.684   7.263
  168   2HA   GLY  20           HA2      GLY  20  -5.809  -5.246   7.741
  169    H    ARG  21           HN       ARG  21  -3.126  -4.823   5.647
  170    HA   ARG  21           HA       ARG  21  -1.305  -4.154   7.799
  171   1HB   ARG  21           HB2      ARG  21  -0.016  -5.097   6.169
  172   2HB   ARG  21           HB1      ARG  21  -1.075  -4.587   4.867
  173   1HG   ARG  21           HG2      ARG  21   0.836  -3.362   4.467
  174   2HG   ARG  21           HG1      ARG  21  -0.149  -2.217   5.372
  175   1HD   ARG  21           HD2      ARG  21   2.317  -3.680   6.206
  176   2HD   ARG  21           HD1      ARG  21   1.903  -1.988   6.374
  177    HE   ARG  21           HE       ARG  21   0.387  -2.627   8.188
  178   1HH1  ARG  21          1HH1      ARG  21   2.930  -4.853   7.265
  179   2HH1  ARG  21          2HH1      ARG  21   2.912  -5.697   8.784
  180   1HH2  ARG  21          1HH2      ARG  21   0.389  -3.723  10.197
  181   2HH2  ARG  21          2HH2      ARG  21   1.477  -5.060  10.451
  182    H    ILE  22           HN       ILE  22  -3.064  -2.504   5.193
  183    HA   ILE  22           HA       ILE  22  -1.811   0.015   5.809
  184    HB   ILE  22           HB       ILE  22  -3.970  -0.764   3.860
  185   1HG1  ILE  22          2HG1      ILE  22  -1.826  -1.545   3.158
  186   2HG1  ILE  22          1HG1      ILE  22  -2.197  -0.119   2.196
  187   1HG2  ILE  22          2HG2      ILE  22  -2.780   1.966   4.299
  188   2HG2  ILE  22          1HG2      ILE  22  -3.750   1.498   2.903
  189   3HG2  ILE  22          3HG2      ILE  22  -4.464   1.484   4.516
  190   1HD1  ILE  22          1HD1      ILE  22  -0.790   1.202   3.786
  191   2HD1  ILE  22          3HD1      ILE  22  -0.286  -0.329   4.501
  192   3HD1  ILE  22          2HD1      ILE  22   0.079   0.018   2.812
  193    H    LEU  23           HN       LEU  23  -5.211  -1.128   5.883
  194    HA   LEU  23           HA       LEU  23  -5.710   1.121   7.672
  195   1HB   LEU  23           HB2      LEU  23  -8.168   0.698   7.244
  196   2HB   LEU  23           HB1      LEU  23  -7.229   1.398   5.954
  197    HG   LEU  23           HG       LEU  23  -8.912  -0.196   5.159
  198   1HD1  LEU  23          2HD1      LEU  23  -6.945   0.166   3.812
  199   2HD1  LEU  23          1HD1      LEU  23  -6.088  -1.105   4.686
  200   3HD1  LEU  23          3HD1      LEU  23  -7.481  -1.511   3.686
  201   1HD2  LEU  23          2HD2      LEU  23  -7.335  -2.264   6.669
  202   2HD2  LEU  23          1HD2      LEU  23  -8.974  -1.725   7.029
  203   3HD2  LEU  23          3HD2      LEU  23  -8.642  -2.596   5.531
  204    H    GLY  24           HN       GLY  24  -5.308  -2.204   7.694
  205   1HA   GLY  24           HA1      GLY  24  -5.393  -3.714   9.423
  206   2HA   GLY  24           HA2      GLY  24  -7.079  -3.235   9.490
  207    HA   PRO  25           HA       PRO  25  -5.030  -1.593  13.342
  208   1HB   PRO  25           HB2      PRO  25  -2.339  -1.403  13.536
  209   2HB   PRO  25           HB1      PRO  25  -3.204  -2.936  13.668
  210   1HG   PRO  25           HG2      PRO  25  -1.490  -1.947  11.505
  211   2HG   PRO  25           HG1      PRO  25  -2.004  -3.602  11.857
  212   1HD   PRO  25           HD2      PRO  25  -3.071  -1.752   9.907
  213   2HD   PRO  25           HD1      PRO  25  -3.505  -3.452  10.172
  214    H    ARG  26           HN       ARG  26  -3.564  -0.088  10.519
  215    HA   ARG  26           HA       ARG  26  -3.317   2.421  12.042
  216   1HB   ARG  26           HB2      ARG  26  -1.584   1.492   9.751
  217   2HB   ARG  26           HB1      ARG  26  -1.428   3.019  10.606
  218   1HG   ARG  26           HG2      ARG  26  -0.999   1.696  12.692
  219   2HG   ARG  26           HG1      ARG  26  -0.925   0.255  11.674
  220   1HD   ARG  26           HD2      ARG  26   0.840   1.463  10.325
  221   2HD   ARG  26           HD1      ARG  26   0.872   2.668  11.609
  222    HE   ARG  26           HE       ARG  26   1.328  -0.131  12.338
  223   1HH1  ARG  26          1HH1      ARG  26   2.562   3.126  11.944
  224   2HH1  ARG  26          2HH1      ARG  26   4.107   2.759  12.656
  225   1HH2  ARG  26          1HH2      ARG  26   3.368  -0.619  13.233
  226   2HH2  ARG  26          2HH2      ARG  26   4.579   0.622  13.366
  227    H    GLY  27           HN       GLY  27  -5.666   1.558  10.486
  228   1HA   GLY  27           HA1      GLY  27  -7.197   2.588   9.106
  229   2HA   GLY  27           HA2      GLY  27  -5.852   2.759   7.982
  230    H    LEU  28           HN       LEU  28  -5.494   4.257  11.025
  231    HA   LEU  28           HA       LEU  28  -6.679   6.728  10.727
  232   1HB   LEU  28           HB2      LEU  28  -5.566   5.921  12.780
  233   2HB   LEU  28           HB1      LEU  28  -4.009   6.126  12.003
  234    HG   LEU  28           HG       LEU  28  -4.473   8.570  11.824
  235   1HD1  LEU  28          1HD1      LEU  28  -6.905   8.471  11.897
  236   2HD1  LEU  28          3HD1      LEU  28  -6.841   7.892  13.562
  237   3HD1  LEU  28          2HD1      LEU  28  -6.275   9.516  13.170
  238   1HD2  LEU  28          2HD2      LEU  28  -4.551   7.395  14.601
  239   2HD2  LEU  28          1HD2      LEU  28  -3.107   7.692  13.634
  240   3HD2  LEU  28          3HD2      LEU  28  -4.086   9.046  14.196
  241    H    THR  29           HN       THR  29  -3.678   5.509   9.314
  242    HA   THR  29           HA       THR  29  -2.598   7.977   8.545
  243    HB   THR  29           HB       THR  29  -1.269   5.900   8.500
  244    HG1  THR  29           HG1      THR  29  -0.118   7.106   7.199
  245   1HG2  THR  29          3HG2      THR  29  -2.942   4.372   7.566
  246   2HG2  THR  29          2HG2      THR  29  -2.865   5.223   6.024
  247   3HG2  THR  29          1HG2      THR  29  -1.455   4.346   6.617
  248    H    ALA  30           HN       ALA  30  -4.864   5.835   6.851
  249    HA   ALA  30           HA       ALA  30  -4.912   7.312   4.432
  250   1HB   ALA  30           HB2      ALA  30  -5.692   4.999   4.557
  251   2HB   ALA  30           HB3      ALA  30  -6.956   6.059   3.930
  252   3HB   ALA  30           HB1      ALA  30  -7.024   5.499   5.601
  253    H    LYS  31           HN       LYS  31  -6.742   7.449   7.408
  254    HA   LYS  31           HA       LYS  31  -8.714   9.290   6.624
  255   1HB   LYS  31           HB2      LYS  31  -7.429   8.843   9.325
  256   2HB   LYS  31           HB1      LYS  31  -8.922   9.732   9.057
  257   1HG   LYS  31           HG2      LYS  31  -9.986   7.685   8.230
  258   2HG   LYS  31           HG1      LYS  31  -8.490   6.798   8.532
  259   1HD   LYS  31           HD2      LYS  31  -8.638   7.295  10.901
  260   2HD   LYS  31           HD1      LYS  31 -10.077   8.278  10.631
  261   1HE   LYS  31           HE2      LYS  31 -10.745   6.135  11.487
  262   2HE   LYS  31           HE1      LYS  31 -11.245   6.258   9.802
  263   1HZ   LYS  31           HZ1      LYS  31  -8.793   4.855  10.729
  264   2HZ   LYS  31           HZ3      LYS  31 -10.267   4.090  10.383
  265   3HZ   LYS  31           HZ2      LYS  31  -9.417   4.877   9.150
  266    H    GLN  32           HN       GLN  32  -5.470   9.692   7.952
  267    HA   GLN  32           HA       GLN  32  -5.708  12.505   8.352
  268   1HB   GLN  32           HB2      GLN  32  -3.189  10.853   8.115
  269   2HB   GLN  32           HB1      GLN  32  -3.309  12.476   8.778
  270   1HG   GLN  32           HG2      GLN  32  -4.488   9.960   9.929
  271   2HG   GLN  32           HG1      GLN  32  -3.134  10.891  10.563
  272   1HE2  GLN  32          1HE2      GLN  32  -6.576  10.761  10.133
  273   2HE2  GLN  32          2HE2      GLN  32  -6.972  12.004  11.267
  274    H    LEU  33           HN       LEU  33  -4.635  10.471   5.708
  275    HA   LEU  33           HA       LEU  33  -3.259  12.505   4.298
  276   1HB   LEU  33           HB2      LEU  33  -4.603  10.120   3.042
  277   2HB   LEU  33           HB1      LEU  33  -3.252  11.042   2.413
  278    HG   LEU  33           HG       LEU  33  -3.288   9.014   4.612
  279   1HD1  LEU  33          1HD1      LEU  33  -1.538   9.414   2.198
  280   2HD1  LEU  33          3HD1      LEU  33  -1.395   8.104   3.368
  281   3HD1  LEU  33          2HD1      LEU  33  -2.841   8.236   2.367
  282   1HD2  LEU  33          2HD2      LEU  33  -1.172  11.117   4.191
  283   2HD2  LEU  33          1HD2      LEU  33  -2.165  10.866   5.630
  284   3HD2  LEU  33          3HD2      LEU  33  -0.965   9.660   5.164
  285    H    GLU  34           HN       GLU  34  -6.628  11.354   4.127
  286    HA   GLU  34           HA       GLU  34  -7.228  13.131   1.975
  287   1HB   GLU  34           HB2      GLU  34  -9.643  12.715   2.628
  288   2HB   GLU  34           HB1      GLU  34  -8.698  11.318   2.147
  289   1HG   GLU  34           HG2      GLU  34  -8.527  10.559   4.384
  290   2HG   GLU  34           HG1      GLU  34  -9.144  12.086   5.017
  291    H    ALA  35           HN       ALA  35  -7.395  13.324   5.443
  292    HA   ALA  35           HA       ALA  35  -8.769  15.773   5.616
  293   1HB   ALA  35           HB1      ALA  35  -7.973  15.858   7.905
  294   2HB   ALA  35           HB2      ALA  35  -6.784  14.602   7.556
  295   3HB   ALA  35           HB3      ALA  35  -8.506  14.227   7.502
  296    H    GLU  36           HN       GLU  36  -5.336  14.980   5.370
  297    HA   GLU  36           HA       GLU  36  -4.592  17.768   5.710
  298   1HB   GLU  36           HB2      GLU  36  -3.075  15.189   5.618
  299   2HB   GLU  36           HB1      GLU  36  -2.235  16.723   5.433
  300   1HG   GLU  36           HG2      GLU  36  -4.000  16.025   7.763
  301   2HG   GLU  36           HG1      GLU  36  -2.245  15.842   7.746
  302    H    THR  37           HN       THR  37  -4.166  15.245   3.204
  303    HA   THR  37           HA       THR  37  -2.620  17.082   1.613
  304    HB   THR  37           HB       THR  37  -2.289  15.296   0.057
  305    HG1  THR  37           HG1      THR  37  -4.285  13.876   1.534
  306   1HG2  THR  37          2HG2      THR  37  -2.298  14.221   2.878
  307   2HG2  THR  37          1HG2      THR  37  -1.415  13.529   1.518
  308   3HG2  THR  37          3HG2      THR  37  -0.995  15.133   2.115
  309    H    GLY  38           HN       GLY  38  -5.911  16.121   1.805
  310   1HA   GLY  38           HA1      GLY  38  -6.574  17.732  -0.534
  311   2HA   GLY  38           HA2      GLY  38  -7.711  17.078   0.644
  312    H    CYS  39           HN       CYS  39  -5.516  14.707  -0.268
  313    HA   CYS  39           HA       CYS  39  -7.317  13.683  -2.323
  314   1HB   CYS  39           HB2      CYS  39  -5.703  12.032  -2.837
  315   2HB   CYS  39           HB1      CYS  39  -4.739  13.456  -2.472
  316    HG   CYS  39           HG       CYS  39  -3.928  12.622   0.015
  317    H    LYS  40           HN       LYS  40  -9.055  12.562  -1.653
  318    HA   LYS  40           HA       LYS  40  -8.912  11.182   0.867
  319   1HB   LYS  40           HB2      LYS  40 -11.073  12.048   0.043
  320   2HB   LYS  40           HB1      LYS  40 -10.964  10.972  -1.349
  321   1HG   LYS  40           HG2      LYS  40 -10.947   9.040   0.180
  322   2HG   LYS  40           HG1      LYS  40 -11.160  10.147   1.538
  323   1HD   LYS  40           HD2      LYS  40 -13.285  10.887   0.625
  324   2HD   LYS  40           HD1      LYS  40 -13.053   9.841  -0.781
  325   1HE   LYS  40           HE2      LYS  40 -14.554   8.801   0.850
  326   2HE   LYS  40           HE1      LYS  40 -13.067   7.873   0.675
  327   1HZ   LYS  40           HZ1      LYS  40 -12.239   9.085   2.698
  328   2HZ   LYS  40           HZ3      LYS  40 -13.811   9.687   2.905
  329   3HZ   LYS  40           HZ2      LYS  40 -13.527   8.024   2.974
  330    H    ILE  41           HN       ILE  41  -7.186   9.800   0.701
  331    HA   ILE  41           HA       ILE  41  -6.868   8.176  -1.628
  332    HB   ILE  41           HB       ILE  41  -4.882   8.772  -0.439
  333   1HG1  ILE  41          2HG1      ILE  41  -5.421   5.843   0.067
  334   2HG1  ILE  41          1HG1      ILE  41  -4.906   6.532  -1.471
  335   1HG2  ILE  41          2HG2      ILE  41  -5.853   9.117   1.774
  336   2HG2  ILE  41          1HG2      ILE  41  -6.038   7.374   1.971
  337   3HG2  ILE  41          3HG2      ILE  41  -4.425   8.084   1.866
  338   1HD1  ILE  41          3HD1      ILE  41  -2.829   7.290  -0.421
  339   2HD1  ILE  41          2HD1      ILE  41  -3.343   6.557   1.100
  340   3HD1  ILE  41          1HD1      ILE  41  -3.034   5.541  -0.308
  341    H    MET  42           HN       MET  42  -8.057   6.518  -2.078
  342    HA   MET  42           HA       MET  42  -9.451   5.161   0.107
  343   1HB   MET  42           HB2      MET  42 -11.193   4.586  -1.522
  344   2HB   MET  42           HB1      MET  42 -10.991   6.327  -1.411
  345   1HG   MET  42           HG2      MET  42  -9.841   6.413  -3.484
  346   2HG   MET  42           HG1      MET  42  -9.702   4.657  -3.551
  347   1HE   MET  42           HE3      MET  42 -12.814   6.806  -2.481
  348   2HE   MET  42           HE2      MET  42 -12.113   7.737  -3.804
  349   3HE   MET  42           HE1      MET  42 -13.677   6.949  -4.011
  350    H    VAL  43           HN       VAL  43  -9.114   3.052   0.318
  351    HA   VAL  43           HA       VAL  43  -7.218   1.791  -1.424
  352    HB   VAL  43           HB       VAL  43  -8.818   0.222   0.559
  353   1HG1  VAL  43          1HG1      VAL  43  -5.937   0.222  -0.312
  354   2HG1  VAL  43          3HG1      VAL  43  -6.642  -0.891   0.863
  355   3HG1  VAL  43          2HG1      VAL  43  -7.190  -0.915  -0.814
  356   1HG2  VAL  43          2HG2      VAL  43  -6.675   2.221   1.273
  357   2HG2  VAL  43          1HG2      VAL  43  -8.325   2.150   1.887
  358   3HG2  VAL  43          3HG2      VAL  43  -7.165   0.899   2.329
  359    H    ARG  44           HN       ARG  44  -7.712   0.663  -3.177
  360    HA   ARG  44           HA       ARG  44 -10.535  -0.073  -3.567
  361   1HB   ARG  44           HB2      ARG  44  -8.492   0.796  -5.619
  362   2HB   ARG  44           HB1      ARG  44 -10.051   0.101  -6.030
  363   1HG   ARG  44           HG2      ARG  44 -11.085   2.019  -4.713
  364   2HG   ARG  44           HG1      ARG  44  -9.477   2.742  -4.721
  365   1HD   ARG  44           HD2      ARG  44  -9.471   2.977  -7.037
  366   2HD   ARG  44           HD1      ARG  44 -10.776   1.809  -7.256
  367    HE   ARG  44           HE       ARG  44 -11.648   4.077  -5.771
  368   1HH1  ARG  44          1HH1      ARG  44 -10.880   2.958  -8.988
  369   2HH1  ARG  44          2HH1      ARG  44 -11.956   4.067  -9.787
  370   1HH2  ARG  44          1HH2      ARG  44 -13.094   5.544  -6.799
  371   2HH2  ARG  44          2HH2      ARG  44 -13.205   5.560  -8.534
  372    H    GLY  45           HN       GLY  45 -10.772  -1.953  -5.121
  373   1HA   GLY  45           HA1      GLY  45  -8.571  -3.849  -4.707
  374   2HA   GLY  45           HA2      GLY  45  -9.856  -4.020  -5.896
  375    H    LYS  46           HN       LYS  46  -9.241  -6.105  -4.313
  376    HA   LYS  46           HA       LYS  46 -11.805  -6.622  -3.171
  377   1HB   LYS  46           HB2      LYS  46  -9.338  -8.339  -3.321
  378   2HB   LYS  46           HB1      LYS  46 -10.950  -8.899  -2.884
  379   1HG   LYS  46           HG2      LYS  46 -11.751  -8.666  -5.036
  380   2HG   LYS  46           HG1      LYS  46 -10.490  -7.511  -5.480
  381   1HD   LYS  46           HD2      LYS  46  -9.981 -10.420  -4.877
  382   2HD   LYS  46           HD1      LYS  46 -10.198  -9.767  -6.506
  383   1HE   LYS  46           HE2      LYS  46  -8.324  -8.235  -6.111
  384   2HE   LYS  46           HE1      LYS  46  -8.089  -8.945  -4.520
  385   1HZ   LYS  46           HZ3      LYS  46  -8.017 -10.624  -6.949
  386   2HZ   LYS  46           HZ2      LYS  46  -6.643  -9.751  -6.463
  387   3HZ   LYS  46           HZ1      LYS  46  -7.320 -10.919  -5.432
  388    H    GLY  47           HN       GLY  47 -12.172  -5.675  -1.179
  389   1HA   GLY  47           HA1      GLY  47 -10.422  -6.834   0.887
  390   2HA   GLY  47           HA2      GLY  47 -12.154  -6.618   1.086
  391    H    SER  48           HN       SER  48 -11.608  -3.853  -0.290
  392    HA   SER  48           HA       SER  48  -9.858  -2.500   1.475
  393   1HB   SER  48           HB2      SER  48 -11.126  -0.482   0.335
  394   2HB   SER  48           HB1      SER  48  -9.975  -1.475  -0.561
  395    HG   SER  48           HG       SER  48 -11.555  -2.323  -1.698
  396    H    MET  49           HN       MET  49 -13.358  -1.840   1.023
  397    HA   MET  49           HA       MET  49 -13.578  -1.708   3.939
  398   1HB   MET  49           HB2      MET  49 -15.219   0.126   3.742
  399   2HB   MET  49           HB1      MET  49 -13.616   0.577   3.196
  400   1HG   MET  49           HG2      MET  49 -15.807  -0.242   1.316
  401   2HG   MET  49           HG1      MET  49 -15.552   1.420   1.836
  402   1HE   MET  49           HE2      MET  49 -13.419   2.851   1.247
  403   2HE   MET  49           HE1      MET  49 -12.391   1.625   1.987
  404   3HE   MET  49           HE3      MET  49 -12.022   2.225   0.369
  405    H    ARG  50           HN       ARG  50 -14.116  -3.901   2.188
  406    HA   ARG  50           HA       ARG  50 -16.904  -4.043   1.595
  407   1HB   ARG  50           HB2      ARG  50 -16.484  -6.239   0.752
  408   2HB   ARG  50           HB1      ARG  50 -15.179  -5.189   0.234
  409   1HG   ARG  50           HG2      ARG  50 -13.622  -6.251   1.544
  410   2HG   ARG  50           HG1      ARG  50 -14.827  -6.827   2.700
  411   1HD   ARG  50           HD2      ARG  50 -15.668  -8.414   1.082
  412   2HD   ARG  50           HD1      ARG  50 -14.570  -7.794  -0.144
  413    HE   ARG  50           HE       ARG  50 -12.742  -8.727   1.140
  414   1HH1  ARG  50          1HH1      ARG  50 -15.952  -9.730   2.117
  415   2HH1  ARG  50          2HH1      ARG  50 -15.415 -11.255   2.765
  416   1HH2  ARG  50          1HH2      ARG  50 -12.033 -10.740   1.988
  417   2HH2  ARG  50          2HH2      ARG  50 -13.189 -11.827   2.681
  418    H    ASP  51           HN       ASP  51 -16.322  -3.601   4.381
  419    HA   ASP  51           HA       ASP  51 -16.375  -5.780   6.079
  420   1HB   ASP  51           HB2      ASP  51 -16.110  -3.403   6.761
  421   2HB   ASP  51           HB1      ASP  51 -17.828  -3.153   6.471
  422    H    LYS  52           HN       LYS  52 -18.038  -6.934   7.120
  423    HA   LYS  52           HA       LYS  52 -19.994  -7.941   5.448
  424   1HB   LYS  52           HB2      LYS  52 -19.772  -8.020   8.450
  425   2HB   LYS  52           HB1      LYS  52 -20.994  -8.913   7.558
  426   1HG   LYS  52           HG2      LYS  52 -18.018  -9.238   7.259
  427   2HG   LYS  52           HG1      LYS  52 -19.091 -10.311   8.158
  428   1HD   LYS  52           HD2      LYS  52 -19.174  -9.763   5.192
  429   2HD   LYS  52           HD1      LYS  52 -18.603 -11.240   5.966
  430   1HE   LYS  52           HE2      LYS  52 -21.417 -10.160   6.126
  431   2HE   LYS  52           HE1      LYS  52 -20.885 -11.457   5.060
  432   1HZ   LYS  52           HZ3      LYS  52 -20.287 -12.756   7.021
  433   2HZ   LYS  52           HZ2      LYS  52 -20.848 -11.514   8.033
  434   3HZ   LYS  52           HZ1      LYS  52 -21.930 -12.342   7.027
  435    H    LYS  53           HN       LYS  53 -20.281  -5.361   7.844
  436    HA   LYS  53           HA       LYS  53 -23.108  -5.213   7.746
  437   1HB   LYS  53           HB2      LYS  53 -22.896  -3.081   8.839
  438   2HB   LYS  53           HB1      LYS  53 -21.708  -4.172   9.535
  439   1HG   LYS  53           HG2      LYS  53 -20.009  -3.134   8.015
  440   2HG   LYS  53           HG1      LYS  53 -21.232  -1.942   7.578
  441   1HD   LYS  53           HD2      LYS  53 -20.155  -2.455  10.349
  442   2HD   LYS  53           HD1      LYS  53 -19.752  -1.085   9.317
  443   1HE   LYS  53           HE2      LYS  53 -22.121  -0.389   9.366
  444   2HE   LYS  53           HE1      LYS  53 -22.472  -1.726  10.460
  445   1HZ   LYS  53           HZ3      LYS  53 -20.594   0.510  11.011
  446   2HZ   LYS  53           HZ2      LYS  53 -22.155   0.356  11.653
  447   3HZ   LYS  53           HZ1      LYS  53 -20.952  -0.766  12.071
  448    H    LYS  54           HN       LYS  54 -20.524  -3.913   5.835
  449    HA   LYS  54           HA       LYS  54 -22.130  -2.014   4.451
  450   1HB   LYS  54           HB2      LYS  54 -19.310  -2.955   4.277
  451   2HB   LYS  54           HB1      LYS  54 -19.973  -2.075   2.907
  452   1HG   LYS  54           HG2      LYS  54 -20.474  -0.188   4.282
  453   2HG   LYS  54           HG1      LYS  54 -20.068  -1.074   5.745
  454   1HD   LYS  54           HD2      LYS  54 -17.740  -1.324   4.767
  455   2HD   LYS  54           HD1      LYS  54 -18.230  -0.135   3.561
  456   1HE   LYS  54           HE2      LYS  54 -18.219   0.289   6.549
  457   2HE   LYS  54           HE1      LYS  54 -17.015   0.898   5.416
  458   1HZ   LYS  54           HZ2      LYS  54 -18.758   2.193   4.329
  459   2HZ   LYS  54           HZ1      LYS  54 -19.893   1.633   5.464
  460   3HZ   LYS  54           HZ3      LYS  54 -18.598   2.608   5.968
  461    H    GLU  55           HN       GLU  55 -21.207  -5.367   3.872
  462    HA   GLU  55           HA       GLU  55 -22.188  -5.286   1.185
  463   1HB   GLU  55           HB2      GLU  55 -22.098  -7.766   1.252
  464   2HB   GLU  55           HB1      GLU  55 -20.583  -6.999   1.698
  465   1HG   GLU  55           HG2      GLU  55 -20.852  -7.530   3.950
  466   2HG   GLU  55           HG1      GLU  55 -22.555  -7.953   3.740
  467    H    GLU  56           HN       GLU  56 -23.643  -5.620   4.278
  468    HA   GLU  56           HA       GLU  56 -26.066  -6.786   3.199
  469   1HB   GLU  56           HB2      GLU  56 -25.563  -5.618   5.937
  470   2HB   GLU  56           HB1      GLU  56 -26.968  -6.560   5.456
  471   1HG   GLU  56           HG2      GLU  56 -25.313  -8.413   4.892
  472   2HG   GLU  56           HG1      GLU  56 -24.138  -7.466   5.803
  473    H    GLN  57           HN       GLN  57 -25.160  -3.621   4.592
  474    HA   GLN  57           HA       GLN  57 -27.737  -2.617   3.586
  475   1HB   GLN  57           HB2      GLN  57 -27.673  -0.889   5.254
  476   2HB   GLN  57           HB1      GLN  57 -27.421  -2.445   6.026
  477   1HG   GLN  57           HG2      GLN  57 -24.865  -1.602   5.508
  478   2HG   GLN  57           HG1      GLN  57 -25.703  -0.106   5.925
  479   1HE2  GLN  57          1HE2      GLN  57 -24.674  -3.203   6.990
  480   2HE2  GLN  57          2HE2      GLN  57 -24.974  -2.969   8.690
  481    H    ASN  58           HN       ASN  58 -24.278  -2.019   3.493
  482    HA   ASN  58           HA       ASN  58 -24.715   0.501   2.089
  483   1HB   ASN  58           HB2      ASN  58 -22.909  -0.099   3.992
  484   2HB   ASN  58           HB1      ASN  58 -21.959  -0.472   2.560
  485   1HD2  ASN  58          1HD2      ASN  58 -23.419   1.611   1.003
  486   2HD2  ASN  58          2HD2      ASN  58 -22.755   3.117   1.532
  487    H    ARG  59           HN       ARG  59 -24.835  -2.481   1.216
  488    HA   ARG  59           HA       ARG  59 -22.919  -3.126  -0.617
  489   1HB   ARG  59           HB2      ARG  59 -24.473  -4.751  -1.480
  490   2HB   ARG  59           HB1      ARG  59 -24.652  -4.648   0.266
  491   1HG   ARG  59           HG2      ARG  59 -26.561  -2.976  -0.295
  492   2HG   ARG  59           HG1      ARG  59 -26.511  -3.741  -1.884
  493   1HD   ARG  59           HD2      ARG  59 -27.047  -5.039   0.776
  494   2HD   ARG  59           HD1      ARG  59 -28.159  -4.867  -0.578
  495    HE   ARG  59           HE       ARG  59 -25.733  -6.462  -0.955
  496   1HH1  ARG  59          1HH1      ARG  59 -29.207  -6.274  -0.621
  497   2HH1  ARG  59          2HH1      ARG  59 -29.467  -7.936  -1.073
  498   1HH2  ARG  59          1HH2      ARG  59 -26.075  -8.671  -1.547
  499   2HH2  ARG  59          2HH2      ARG  59 -27.702  -9.284  -1.592
  500    H    GLY  60           HN       GLY  60 -22.797  -3.068  -2.859
  501   1HA   GLY  60           HA1      GLY  60 -24.636  -1.410  -4.381
  502   2HA   GLY  60           HA2      GLY  60 -23.268  -2.314  -5.017
  503    H    LYS  61           HN       LYS  61 -22.324  -0.546  -2.353
  504    HA   LYS  61           HA       LYS  61 -21.832   1.917  -3.807
  505   1HB   LYS  61           HB2      LYS  61 -21.683   1.116  -0.942
  506   2HB   LYS  61           HB1      LYS  61 -20.758   2.513  -1.476
  507   1HG   LYS  61           HG2      LYS  61 -22.928   3.169  -0.585
  508   2HG   LYS  61           HG1      LYS  61 -22.792   3.570  -2.297
  509   1HD   LYS  61           HD2      LYS  61 -24.032   1.491  -2.833
  510   2HD   LYS  61           HD1      LYS  61 -24.246   1.213  -1.103
  511   1HE   LYS  61           HE2      LYS  61 -25.426   3.383  -0.944
  512   2HE   LYS  61           HE1      LYS  61 -25.282   3.555  -2.694
  513   1HZ   LYS  61           HZ3      LYS  61 -26.692   1.349  -1.296
  514   2HZ   LYS  61           HZ2      LYS  61 -27.441   2.672  -2.036
  515   3HZ   LYS  61           HZ1      LYS  61 -26.583   1.549  -2.977
  516    HA   PRO  62           HA       PRO  62 -17.620   2.243  -5.007
  517   1HB   PRO  62           HB2      PRO  62 -17.048   3.170  -2.206
  518   2HB   PRO  62           HB1      PRO  62 -16.383   3.754  -3.736
  519   1HG   PRO  62           HG2      PRO  62 -18.478   4.942  -2.477
  520   2HG   PRO  62           HG1      PRO  62 -18.254   4.976  -4.234
  521   1HD   PRO  62           HD2      PRO  62 -20.331   3.665  -2.708
  522   2HD   PRO  62           HD1      PRO  62 -20.158   3.777  -4.472
  523    H    ASN  63           HN       ASN  63 -18.066   0.637  -1.888
  524    HA   ASN  63           HA       ASN  63 -15.463  -0.523  -1.810
  525   1HB   ASN  63           HB2      ASN  63 -16.946  -2.272  -0.328
  526   2HB   ASN  63           HB1      ASN  63 -16.201  -0.806   0.284
  527   1HD2  ASN  63          1HD2      ASN  63 -17.953   1.138  -0.600
  528   2HD2  ASN  63          2HD2      ASN  63 -19.498   0.892   0.133
  529    H    TRP  64           HN       TRP  64 -18.564  -1.469  -3.036
  530    HA   TRP  64           HA       TRP  64 -17.518  -3.952  -4.059
  531   1HB   TRP  64           HB2      TRP  64 -20.269  -2.853  -4.542
  532   2HB   TRP  64           HB1      TRP  64 -19.752  -4.543  -4.540
  533    HD1  TRP  64           HD1      TRP  64 -21.181  -1.953  -2.326
  534    HE1  TRP  64           HE1      TRP  64 -21.196  -2.743   0.116
  535    HE3  TRP  64           HE3      TRP  64 -18.242  -6.078  -2.831
  536    HZ2  TRP  64           HZ2      TRP  64 -20.070  -4.850   1.631
  537    HZ3  TRP  64           HZ3      TRP  64 -17.745  -7.433  -0.843
  538    HH2  TRP  64           HH2      TRP  64 -18.643  -6.829   1.345
  539    H    GLU  65           HN       GLU  65 -18.155  -0.742  -5.032
  540    HA   GLU  65           HA       GLU  65 -18.215  -0.911  -7.791
  541   1HB   GLU  65           HB2      GLU  65 -18.473   1.255  -7.202
  542   2HB   GLU  65           HB1      GLU  65 -17.438   1.097  -5.791
  543   1HG   GLU  65           HG2      GLU  65 -15.502   1.060  -7.502
  544   2HG   GLU  65           HG1      GLU  65 -16.681   1.740  -8.618
  545    H    HIS  66           HN       HIS  66 -15.410  -0.557  -5.667
  546    HA   HIS  66           HA       HIS  66 -13.670  -1.236  -7.907
  547   1HB   HIS  66           HB2      HIS  66 -11.818  -0.458  -6.380
  548   2HB   HIS  66           HB1      HIS  66 -12.967   0.770  -6.900
  549    HD1  HIS  66           HD1      HIS  66 -13.588   2.308  -5.076
  550    HD2  HIS  66           HD2      HIS  66 -12.731  -1.511  -3.675
  551    HE1  HIS  66           HE1      HIS  66 -13.654   2.480  -2.565
  552    HE2  HIS  66           HE2      HIS  66 -12.987   0.192  -1.735
  553    H    LEU  67           HN       LEU  67 -15.191  -2.923  -5.566
  554    HA   LEU  67           HA       LEU  67 -13.240  -4.636  -4.497
  555   1HB   LEU  67           HB2      LEU  67 -15.601  -4.624  -3.776
  556   2HB   LEU  67           HB1      LEU  67 -16.071  -5.313  -5.317
  557    HG   LEU  67           HG       LEU  67 -14.519  -7.271  -4.701
  558   1HD1  LEU  67          1HD1      LEU  67 -14.889  -6.033  -1.981
  559   2HD1  LEU  67          3HD1      LEU  67 -14.237  -7.641  -2.298
  560   3HD1  LEU  67          2HD1      LEU  67 -13.368  -6.211  -2.856
  561   1HD2  LEU  67          1HD2      LEU  67 -16.946  -7.445  -4.791
  562   2HD2  LEU  67          3HD2      LEU  67 -16.297  -8.370  -3.436
  563   3HD2  LEU  67          2HD2      LEU  67 -17.062  -6.808  -3.151
  564    H    ASN  68           HN       ASN  68 -14.292  -4.204  -7.642
  565    HA   ASN  68           HA       ASN  68 -13.848  -6.931  -8.534
  566   1HB   ASN  68           HB2      ASN  68 -14.546  -4.522 -10.222
  567   2HB   ASN  68           HB1      ASN  68 -14.758  -6.223 -10.634
  568   1HD2  ASN  68          1HD2      ASN  68 -16.011  -3.520  -8.895
  569   2HD2  ASN  68          2HD2      ASN  68 -17.491  -4.252  -8.363
  570    H    GLU  69           HN       GLU  69 -11.956  -4.357  -7.877
  571    HA   GLU  69           HA       GLU  69 -10.020  -4.886 -10.016
  572   1HB   GLU  69           HB2      GLU  69  -9.918  -2.819  -7.807
  573   2HB   GLU  69           HB1      GLU  69  -8.835  -2.927  -9.184
  574   1HG   GLU  69           HG2      GLU  69 -10.705  -2.424 -10.683
  575   2HG   GLU  69           HG1      GLU  69 -11.773  -2.279  -9.283
  576    H    ASP  70           HN       ASP  70  -7.682  -5.041  -9.235
  577    HA   ASP  70           HA       ASP  70  -7.535  -6.843  -6.968
  578   1HB   ASP  70           HB2      ASP  70  -6.147  -7.127  -9.106
  579   2HB   ASP  70           HB1      ASP  70  -5.160  -5.796  -8.503
  580    H    LEU  71           HN       LEU  71  -6.333  -6.425  -5.067
  581    HA   LEU  71           HA       LEU  71  -7.115  -4.040  -3.896
  582   1HB   LEU  71           HB2      LEU  71  -6.533  -6.159  -2.714
  583   2HB   LEU  71           HB1      LEU  71  -4.838  -5.802  -2.987
  584    HG   LEU  71           HG       LEU  71  -4.887  -3.926  -1.555
  585   1HD1  LEU  71          1HD1      LEU  71  -7.874  -4.232  -1.675
  586   2HD1  LEU  71          3HD1      LEU  71  -7.054  -3.238  -0.466
  587   3HD1  LEU  71          2HD1      LEU  71  -6.885  -2.852  -2.183
  588   1HD2  LEU  71          2HD2      LEU  71  -4.790  -6.087  -0.420
  589   2HD2  LEU  71          1HD2      LEU  71  -5.637  -4.888   0.560
  590   3HD2  LEU  71          3HD2      LEU  71  -6.550  -6.113  -0.318
  591    H    HIS  72           HN       HIS  72  -6.397  -2.044  -4.228
  592    HA   HIS  72           HA       HIS  72  -3.535  -1.551  -4.184
  593   1HB   HIS  72           HB2      HIS  72  -3.575  -0.108  -6.154
  594   2HB   HIS  72           HB1      HIS  72  -3.998  -1.760  -6.564
  595    HD1  HIS  72           HD1      HIS  72  -6.445  -2.224  -7.293
  596    HD2  HIS  72           HD2      HIS  72  -5.571   1.790  -6.646
  597    HE1  HIS  72           HE1      HIS  72  -8.308  -0.941  -8.385
  598    HE2  HIS  72           HE2      HIS  72  -7.651   1.479  -8.170
  599    H    VAL  73           HN       VAL  73  -3.041   0.756  -3.907
  600    HA   VAL  73           HA       VAL  73  -5.186   2.074  -2.384
  601    HB   VAL  73           HB       VAL  73  -3.410   3.528  -1.447
  602   1HG1  VAL  73          1HG1      VAL  73  -2.914   0.571  -1.110
  603   2HG1  VAL  73          3HG1      VAL  73  -2.365   1.834  -0.008
  604   3HG1  VAL  73          2HG1      VAL  73  -4.090   1.541  -0.225
  605   1HG2  VAL  73          1HG2      VAL  73  -1.801   3.423  -3.276
  606   2HG2  VAL  73          3HG2      VAL  73  -1.054   2.946  -1.752
  607   3HG2  VAL  73          2HG2      VAL  73  -1.508   1.717  -2.933
  608    H    LEU  74           HN       LEU  74  -5.816   4.160  -2.903
  609    HA   LEU  74           HA       LEU  74  -4.735   5.227  -5.413
  610   1HB   LEU  74           HB2      LEU  74  -6.807   3.794  -5.733
  611   2HB   LEU  74           HB1      LEU  74  -7.680   4.998  -4.821
  612    HG   LEU  74           HG       LEU  74  -6.186   5.744  -7.318
  613   1HD1  LEU  74          3HD1      LEU  74  -7.673   3.892  -7.893
  614   2HD1  LEU  74          2HD1      LEU  74  -9.018   4.733  -7.120
  615   3HD1  LEU  74          1HD1      LEU  74  -8.261   5.416  -8.559
  616   1HD2  LEU  74          2HD2      LEU  74  -8.602   6.892  -5.926
  617   2HD2  LEU  74          1HD2      LEU  74  -6.968   7.553  -5.872
  618   3HD2  LEU  74          3HD2      LEU  74  -7.857   7.522  -7.395
  619    H    ILE  75           HN       ILE  75  -4.079   7.191  -5.046
  620    HA   ILE  75           HA       ILE  75  -5.377   8.798  -3.012
  621    HB   ILE  75           HB       ILE  75  -3.770  10.599  -4.055
  622   1HG1  ILE  75          2HG1      ILE  75  -2.416   8.049  -4.927
  623   2HG1  ILE  75          1HG1      ILE  75  -3.195   9.193  -6.015
  624   1HG2  ILE  75          1HG2      ILE  75  -3.614   9.598  -1.800
  625   2HG2  ILE  75          3HG2      ILE  75  -2.603   8.322  -2.480
  626   3HG2  ILE  75          2HG2      ILE  75  -2.052  10.002  -2.509
  627   1HD1  ILE  75          2HD1      ILE  75  -0.834   9.775  -4.247
  628   2HD1  ILE  75          1HD1      ILE  75  -0.787   9.489  -5.986
  629   3HD1  ILE  75          3HD1      ILE  75  -1.609  10.914  -5.349
  630    H    THR  76           HN       THR  76  -7.289   9.486  -3.517
  631    HA   THR  76           HA       THR  76  -7.871  10.453  -6.226
  632    HB   THR  76           HB       THR  76 -10.082  10.569  -4.348
  633    HG1  THR  76           HG1      THR  76  -9.342   8.811  -3.275
  634   1HG2  THR  76          1HG2      THR  76  -9.577   8.965  -6.844
  635   2HG2  THR  76          3HG2      THR  76 -11.141   9.176  -6.059
  636   3HG2  THR  76          2HG2      THR  76 -10.315  10.567  -6.761
  637    H    VAL  77           HN       VAL  77  -7.489  12.530  -6.507
  638    HA   VAL  77           HA       VAL  77  -7.884  14.323  -4.210
  639    HB   VAL  77           HB       VAL  77  -5.532  14.122  -4.682
  640   1HG1  VAL  77          2HG1      VAL  77  -6.205  14.923  -7.506
  641   2HG1  VAL  77          1HG1      VAL  77  -4.575  14.773  -6.850
  642   3HG1  VAL  77          3HG1      VAL  77  -5.611  13.353  -6.973
  643   1HG2  VAL  77          1HG2      VAL  77  -6.639  16.738  -5.685
  644   2HG2  VAL  77          3HG2      VAL  77  -6.289  16.309  -4.008
  645   3HG2  VAL  77          2HG2      VAL  77  -4.973  16.460  -5.174
  646    H    GLU  78           HN       GLU  78  -9.289  15.882  -4.435
  647    HA   GLU  78           HA       GLU  78 -10.258  16.603  -7.094
  648   1HB   GLU  78           HB2      GLU  78 -11.238  17.341  -4.323
  649   2HB   GLU  78           HB1      GLU  78 -11.969  17.914  -5.815
  650   1HG   GLU  78           HG2      GLU  78 -11.709  14.998  -5.163
  651   2HG   GLU  78           HG1      GLU  78 -13.091  15.969  -4.660
  652    H    ASP  79           HN       ASP  79  -8.554  17.826  -7.878
  653    HA   ASP  79           HA       ASP  79  -8.406  20.554  -7.038
  654   1HB   ASP  79           HB2      ASP  79  -6.965  19.348  -5.325
  655   2HB   ASP  79           HB1      ASP  79  -5.900  18.894  -6.646
  656    H    ALA  80           HN       ALA  80  -6.464  21.604  -8.329
  657    HA   ALA  80           HA       ALA  80  -6.731  20.961 -11.063
  658   1HB   ALA  80           HB1      ALA  80  -6.145  23.210 -10.309
  659   2HB   ALA  80           HB2      ALA  80  -4.931  22.582 -11.423
  660   3HB   ALA  80           HB3      ALA  80  -4.606  22.609  -9.690
  661    H    GLN  81           HN       GLN  81  -3.748  20.821  -9.080
  662    HA   GLN  81           HA       GLN  81  -3.090  18.173  -9.620
  663   1HB   GLN  81           HB2      GLN  81  -3.011  19.213 -11.980
  664   2HB   GLN  81           HB1      GLN  81  -1.529  19.986 -11.449
  665   1HG   GLN  81           HG2      GLN  81  -1.759  17.049 -11.102
  666   2HG   GLN  81           HG1      GLN  81  -1.554  17.676 -12.734
  667   1HE2  GLN  81          1HE2      GLN  81   0.240  16.036 -11.166
  668   2HE2  GLN  81          2HE2      GLN  81   1.724  16.923 -11.034
  669    H    ASN  82           HN       ASN  82  -1.163  21.177  -9.857
  670    HA   ASN  82           HA       ASN  82   1.213  20.067  -9.144
  671   1HB   ASN  82           HB2      ASN  82   0.342  22.895  -8.538
  672   2HB   ASN  82           HB1      ASN  82   2.005  22.334  -8.629
  673   1HD2  ASN  82          1HD2      ASN  82  -0.861  23.134 -10.419
  674   2HD2  ASN  82          2HD2      ASN  82  -0.112  23.167 -11.985
  675    H    ARG  83           HN       ARG  83  -0.663  22.033  -6.802
  676    HA   ARG  83           HA       ARG  83   1.288  21.484  -4.780
  677   1HB   ARG  83           HB2      ARG  83   0.201  23.654  -4.843
  678   2HB   ARG  83           HB1      ARG  83  -1.380  22.910  -4.665
  679   1HG   ARG  83           HG2      ARG  83   0.623  22.404  -2.534
  680   2HG   ARG  83           HG1      ARG  83  -0.089  24.015  -2.635
  681   1HD   ARG  83           HD2      ARG  83  -1.746  21.503  -2.582
  682   2HD   ARG  83           HD1      ARG  83  -1.261  22.354  -1.116
  683    HE   ARG  83           HE       ARG  83  -2.515  24.281  -1.943
  684   1HH1  ARG  83          1HH1      ARG  83  -3.188  21.193  -3.449
  685   2HH1  ARG  83          2HH1      ARG  83  -4.791  21.643  -3.956
  686   1HH2  ARG  83          1HH2      ARG  83  -4.623  24.861  -2.564
  687   2HH2  ARG  83          2HH2      ARG  83  -5.614  23.712  -3.419
  688    H    ALA  84           HN       ALA  84  -2.005  20.484  -5.457
  689    HA   ALA  84           HA       ALA  84  -2.451  19.114  -3.044
  690   1HB   ALA  84           HB2      ALA  84  -3.678  18.500  -5.717
  691   2HB   ALA  84           HB1      ALA  84  -4.330  18.121  -4.120
  692   3HB   ALA  84           HB3      ALA  84  -4.207  19.800  -4.644
  693    H    GLU  85           HN       GLU  85  -1.657  17.764  -6.269
  694    HA   GLU  85           HA       GLU  85  -1.599  15.125  -5.320
  695   1HB   GLU  85           HB2      GLU  85  -0.654  14.490  -7.432
  696   2HB   GLU  85           HB1      GLU  85  -1.893  15.705  -7.700
  697   1HG   GLU  85           HG2      GLU  85  -0.344  16.575  -9.067
  698   2HG   GLU  85           HG1      GLU  85   0.278  17.275  -7.572
  699    H    LEU  86           HN       LEU  86   0.923  17.561  -5.536
  700    HA   LEU  86           HA       LEU  86   3.115  15.882  -5.033
  701   1HB   LEU  86           HB2      LEU  86   2.747  18.572  -5.434
  702   2HB   LEU  86           HB1      LEU  86   3.229  18.521  -3.752
  703    HG   LEU  86           HG       LEU  86   4.794  17.567  -6.147
  704   1HD1  LEU  86          3HD1      LEU  86   5.358  19.621  -4.020
  705   2HD1  LEU  86          2HD1      LEU  86   6.452  19.171  -5.328
  706   3HD1  LEU  86          1HD1      LEU  86   4.910  19.947  -5.694
  707   1HD2  LEU  86          1HD2      LEU  86   5.029  15.910  -4.368
  708   2HD2  LEU  86          3HD2      LEU  86   6.525  16.814  -4.608
  709   3HD2  LEU  86          2HD2      LEU  86   5.480  17.185  -3.235
  710    H    LYS  87           HN       LYS  87   0.798  17.433  -2.878
  711    HA   LYS  87           HA       LYS  87   2.174  16.741  -0.472
  712   1HB   LYS  87           HB2      LYS  87   0.536  18.628  -0.740
  713   2HB   LYS  87           HB1      LYS  87  -0.748  17.433  -0.802
  714   1HG   LYS  87           HG2      LYS  87  -0.229  16.714   1.451
  715   2HG   LYS  87           HG1      LYS  87   1.131  17.838   1.514
  716   1HD   LYS  87           HD2      LYS  87  -0.394  19.718   1.260
  717   2HD   LYS  87           HD1      LYS  87  -1.760  18.610   1.144
  718   1HE   LYS  87           HE2      LYS  87  -1.647  19.521   3.371
  719   2HE   LYS  87           HE1      LYS  87  -1.266  17.801   3.414
  720   1HZ   LYS  87           HZ1      LYS  87   0.736  19.996   3.454
  721   2HZ   LYS  87           HZ3      LYS  87   0.216  19.125   4.810
  722   3HZ   LYS  87           HZ2      LYS  87   1.067  18.337   3.574
  723    H    LEU  88           HN       LEU  88  -0.600  15.328  -2.205
  724    HA   LEU  88           HA       LEU  88  -0.932  13.229  -0.298
  725   1HB   LEU  88           HB2      LEU  88  -2.285  12.175  -2.246
  726   2HB   LEU  88           HB1      LEU  88  -2.874  13.562  -1.359
  727    HG   LEU  88           HG       LEU  88  -1.383  14.477  -3.628
  728   1HD1  LEU  88          2HD1      LEU  88  -1.966  12.299  -4.587
  729   2HD1  LEU  88          1HD1      LEU  88  -3.664  12.592  -4.199
  730   3HD1  LEU  88          3HD1      LEU  88  -2.837  13.615  -5.375
  731   1HD2  LEU  88          3HD2      LEU  88  -3.052  15.743  -2.366
  732   2HD2  LEU  88          2HD2      LEU  88  -3.503  15.617  -4.068
  733   3HD2  LEU  88          1HD2      LEU  88  -4.300  14.601  -2.864
  734    H    LYS  89           HN       LYS  89   0.974  13.517  -3.231
  735    HA   LYS  89           HA       LYS  89   1.453  10.733  -3.452
  736   1HB   LYS  89           HB2      LYS  89   3.256  11.262  -4.976
  737   2HB   LYS  89           HB1      LYS  89   1.849  12.241  -5.340
  738   1HG   LYS  89           HG2      LYS  89   3.507  13.784  -5.545
  739   2HG   LYS  89           HG1      LYS  89   3.076  14.006  -3.850
  740   1HD   LYS  89           HD2      LYS  89   5.464  13.944  -4.038
  741   2HD   LYS  89           HD1      LYS  89   4.927  12.470  -3.235
  742   1HE   LYS  89           HE2      LYS  89   5.081  11.274  -5.385
  743   2HE   LYS  89           HE1      LYS  89   5.688  12.745  -6.140
  744   1HZ   LYS  89           HZ2      LYS  89   7.595  12.673  -4.654
  745   2HZ   LYS  89           HZ1      LYS  89   7.007  11.256  -3.930
  746   3HZ   LYS  89           HZ3      LYS  89   7.482  11.250  -5.562
  747    H    ARG  90           HN       ARG  90   3.120  13.278  -1.635
  748    HA   ARG  90           HA       ARG  90   5.214  11.535  -0.793
  749   1HB   ARG  90           HB2      ARG  90   5.759  13.215   0.890
  750   2HB   ARG  90           HB1      ARG  90   5.498  13.962  -0.677
  751   1HG   ARG  90           HG2      ARG  90   3.358  14.776  -0.014
  752   2HG   ARG  90           HG1      ARG  90   3.421  13.859   1.493
  753   1HD   ARG  90           HD2      ARG  90   5.302  16.083   0.718
  754   2HD   ARG  90           HD1      ARG  90   3.928  16.246   1.812
  755    HE   ARG  90           HE       ARG  90   5.743  14.179   2.616
  756   1HH1  ARG  90          1HH1      ARG  90   5.179  17.636   2.709
  757   2HH1  ARG  90          2HH1      ARG  90   6.081  17.869   4.175
  758   1HH2  ARG  90          1HH2      ARG  90   6.964  14.485   4.492
  759   2HH2  ARG  90          2HH2      ARG  90   7.114  16.073   5.180
  760    H    ALA  91           HN       ALA  91   2.044  12.364   0.478
  761    HA   ALA  91           HA       ALA  91   2.249  10.942   2.919
  762   1HB   ALA  91           HB3      ALA  91  -0.217  11.564   1.301
  763   2HB   ALA  91           HB2      ALA  91  -0.172  11.097   2.999
  764   3HB   ALA  91           HB1      ALA  91   0.524  12.637   2.491
  765    H    VAL  92           HN       VAL  92   0.965  10.076  -0.267
  766    HA   VAL  92           HA       VAL  92   0.197   7.457   0.494
  767    HB   VAL  92           HB       VAL  92  -0.619   8.795  -1.539
  768   1HG1  VAL  92          3HG1      VAL  92   1.906   7.623  -2.696
  769   2HG1  VAL  92          2HG1      VAL  92   0.586   8.318  -3.642
  770   3HG1  VAL  92          1HG1      VAL  92   1.508   9.336  -2.533
  771   1HG2  VAL  92          1HG2      VAL  92   0.137   5.889  -1.830
  772   2HG2  VAL  92          3HG2      VAL  92  -1.328   6.525  -1.085
  773   3HG2  VAL  92          2HG2      VAL  92  -1.054   6.735  -2.815
  774    H    GLU  93           HN       GLU  93   3.172   8.869  -0.654
  775    HA   GLU  93           HA       GLU  93   4.580   6.484  -1.121
  776   1HB   GLU  93           HB2      GLU  93   5.318   9.300  -0.524
  777   2HB   GLU  93           HB1      GLU  93   6.559   8.069  -0.351
  778   1HG   GLU  93           HG2      GLU  93   6.094   7.366  -2.690
  779   2HG   GLU  93           HG1      GLU  93   4.979   8.724  -2.825
  780    H    GLU  94           HN       GLU  94   3.839   8.251   1.813
  781    HA   GLU  94           HA       GLU  94   5.385   6.665   3.568
  782   1HB   GLU  94           HB2      GLU  94   2.746   8.054   4.076
  783   2HB   GLU  94           HB1      GLU  94   3.811   7.414   5.320
  784   1HG   GLU  94           HG2      GLU  94   5.539   8.990   4.690
  785   2HG   GLU  94           HG1      GLU  94   4.528   9.601   3.381
  786    H    VAL  95           HN       VAL  95   2.105   6.316   2.274
  787    HA   VAL  95           HA       VAL  95   1.548   3.838   3.499
  788    HB   VAL  95           HB       VAL  95   0.565   4.797   0.803
  789   1HG1  VAL  95          3HG1      VAL  95   0.346   2.312   1.373
  790   2HG1  VAL  95          2HG1      VAL  95  -0.752   2.821   2.656
  791   3HG1  VAL  95          1HG1      VAL  95  -1.151   3.167   0.978
  792   1HG2  VAL  95          1HG2      VAL  95   0.030   6.393   2.568
  793   2HG2  VAL  95          3HG2      VAL  95  -1.423   5.559   2.018
  794   3HG2  VAL  95          2HG2      VAL  95  -0.666   5.098   3.543
  795    H    LYS  96           HN       LYS  96   3.254   4.713   0.520
  796    HA   LYS  96           HA       LYS  96   3.779   2.170  -0.480
  797   1HB   LYS  96           HB2      LYS  96   5.524   4.637  -0.490
  798   2HB   LYS  96           HB1      LYS  96   5.919   3.173  -1.376
  799   1HG   LYS  96           HG2      LYS  96   3.405   4.785  -1.778
  800   2HG   LYS  96           HG1      LYS  96   4.860   4.926  -2.766
  801   1HD   LYS  96           HD2      LYS  96   3.249   2.404  -2.404
  802   2HD   LYS  96           HD1      LYS  96   3.127   3.490  -3.788
  803   1HE   LYS  96           HE2      LYS  96   5.534   3.093  -4.246
  804   2HE   LYS  96           HE1      LYS  96   5.559   1.925  -2.928
  805   1HZ   LYS  96           HZ3      LYS  96   3.847   0.648  -4.138
  806   2HZ   LYS  96           HZ2      LYS  96   3.974   1.733  -5.437
  807   3HZ   LYS  96           HZ1      LYS  96   5.306   0.779  -4.991
  808    H    LYS  97           HN       LYS  97   5.164   3.795   2.281
  809    HA   LYS  97           HA       LYS  97   7.286   1.928   2.716
  810   1HB   LYS  97           HB2      LYS  97   7.150   4.306   3.597
  811   2HB   LYS  97           HB1      LYS  97   5.940   3.741   4.734
  812   1HG   LYS  97           HG2      LYS  97   8.647   2.474   4.642
  813   2HG   LYS  97           HG1      LYS  97   8.390   3.991   5.499
  814   1HD   LYS  97           HD2      LYS  97   6.550   2.842   6.773
  815   2HD   LYS  97           HD1      LYS  97   7.084   1.330   6.034
  816   1HE   LYS  97           HE2      LYS  97   8.698   3.147   7.820
  817   2HE   LYS  97           HE1      LYS  97   8.069   1.550   8.225
  818   1HZ   LYS  97           HZ3      LYS  97  10.092   2.117   6.120
  819   2HZ   LYS  97           HZ2      LYS  97  10.424   1.486   7.655
  820   3HZ   LYS  97           HZ1      LYS  97   9.505   0.581   6.554
  821    H    LEU  98           HN       LEU  98   3.913   2.174   3.521
  822    HA   LEU  98           HA       LEU  98   4.010  -0.027   5.409
  823   1HB   LEU  98           HB2      LEU  98   1.943   1.920   4.539
  824   2HB   LEU  98           HB1      LEU  98   1.407   0.402   5.229
  825    HG   LEU  98           HG       LEU  98   1.464   2.150   6.916
  826   1HD1  LEU  98          3HD1      LEU  98   3.619   0.084   7.302
  827   2HD1  LEU  98          2HD1      LEU  98   2.855   1.018   8.587
  828   3HD1  LEU  98          1HD1      LEU  98   1.897  -0.117   7.633
  829   1HD2  LEU  98          3HD2      LEU  98   4.414   2.342   6.321
  830   2HD2  LEU  98          2HD2      LEU  98   3.198   3.572   5.972
  831   3HD2  LEU  98          1HD2      LEU  98   3.573   3.151   7.644
  832    H    LEU  99           HN       LEU  99   2.820   0.439   2.060
  833    HA   LEU  99           HA       LEU  99   1.358  -2.019   2.169
  834   1HB   LEU  99           HB2      LEU  99   0.795  -1.725  -0.139
  835   2HB   LEU  99           HB1      LEU  99   0.525  -0.264   0.746
  836    HG   LEU  99           HG       LEU  99   1.754  -0.540  -1.679
  837   1HD1  LEU  99          2HD1      LEU  99   0.442   1.308  -0.922
  838   2HD1  LEU  99          1HD1      LEU  99   1.744   1.799   0.160
  839   3HD1  LEU  99          3HD1      LEU  99   1.985   1.848  -1.586
  840   1HD2  LEU  99          1HD2      LEU  99   3.865  -1.180  -0.661
  841   2HD2  LEU  99          3HD2      LEU  99   3.971   0.396  -1.446
  842   3HD2  LEU  99          2HD2      LEU  99   3.835   0.291   0.311
  843    H    VAL 100           HN       VAL 100   4.177  -2.260   2.735
  844    HA   VAL 100           HA       VAL 100   5.150  -3.857   0.481
  845    HB   VAL 100           HB       VAL 100   6.673  -2.116   1.329
  846   1HG1  VAL 100          3HG1      VAL 100   6.617  -3.663   3.915
  847   2HG1  VAL 100          2HG1      VAL 100   7.715  -2.334   3.539
  848   3HG1  VAL 100          1HG1      VAL 100   5.979  -2.038   3.649
  849   1HG2  VAL 100          3HG2      VAL 100   7.635  -4.917   1.884
  850   2HG2  VAL 100          2HG2      VAL 100   7.637  -4.099   0.322
  851   3HG2  VAL 100          1HG2      VAL 100   8.666  -3.510   1.627
  852    HA   PRO 101           HA       PRO 101   4.019  -7.594   2.656
  853   1HB   PRO 101           HB2      PRO 101   5.638  -9.294   1.256
  854   2HB   PRO 101           HB1      PRO 101   4.102  -8.676   0.635
  855   1HG   PRO 101           HG2      PRO 101   6.885  -7.694   0.114
  856   2HG   PRO 101           HG1      PRO 101   5.563  -7.964  -1.037
  857   1HD   PRO 101           HD2      PRO 101   6.144  -5.506  -0.159
  858   2HD   PRO 101           HD1      PRO 101   4.460  -6.015  -0.421
  859    H    ALA 102           HN       ALA 102   7.043  -6.133   2.614
  860    HA   ALA 102           HA       ALA 102   8.642  -5.981   4.190
  861   1HB   ALA 102           HB1      ALA 102   8.319  -6.946   6.395
  862   2HB   ALA 102           HB2      ALA 102   6.996  -7.939   5.783
  863   3HB   ALA 102           HB3      ALA 102   6.832  -6.183   5.831
  864    H    ALA 103           HN       ALA 103   9.771  -7.905   5.849
  865    HA   ALA 103           HA       ALA 103  10.492 -10.203   4.304
  866   1HB   ALA 103           HB3      ALA 103  12.548  -8.026   4.705
  867   2HB   ALA 103           HB2      ALA 103  12.859  -9.629   4.039
  868   3HB   ALA 103           HB1      ALA 103  11.831  -8.496   3.165
  869    H    GLU 104           HN       GLU 104  12.740 -11.030   5.506
  870    HA   GLU 104           HA       GLU 104  11.839 -11.315   8.261
  871   1HB   GLU 104           HB2      GLU 104  13.456 -13.174   8.383
  872   2HB   GLU 104           HB1      GLU 104  12.297 -13.364   7.077
  873   1HG   GLU 104           HG2      GLU 104  14.031 -12.514   5.505
  874   2HG   GLU 104           HG1      GLU 104  15.177 -12.530   6.846
  875    H    GLY 105           HN       GLY 105  14.081  -9.494   6.536
  876   1HA   GLY 105           HA1      GLY 105  15.371  -8.782   9.094
  877   2HA   GLY 105           HA2      GLY 105  14.973  -7.620   7.839
  878    H    GLU 106           HN       GLU 106  16.814 -10.645   8.201
  879    HA   GLU 106           HA       GLU 106  18.861  -9.405   6.515
  880   1HB   GLU 106           HB2      GLU 106  20.500 -10.903   7.737
  881   2HB   GLU 106           HB1      GLU 106  19.859  -9.534   8.631
  882   1HG   GLU 106           HG2      GLU 106  18.336 -10.986   9.828
  883   2HG   GLU 106           HG1      GLU 106  18.871 -12.370   8.873
  884    H    ASP 107           HN       ASP 107  18.057 -10.222   4.679
  885    HA   ASP 107           HA       ASP 107  18.580 -13.073   4.214
  886   1HB   ASP 107           HB2      ASP 107  16.672 -13.033   2.579
  887   2HB   ASP 107           HB1      ASP 107  16.187 -12.842   4.255
  888    H    SER 108           HN       SER 108  17.613 -12.101   1.348
  889    HA   SER 108           HA       SER 108  20.110 -11.777   0.165
  890   1HB   SER 108           HB2      SER 108  17.421 -10.770  -0.751
  891   2HB   SER 108           HB1      SER 108  18.834 -11.000  -1.785
  892    HG   SER 108           HG       SER 108  17.004 -12.809  -0.872
  893    H    LEU 109           HN       LEU 109  17.992  -9.525   1.732
  894    HA   LEU 109           HA       LEU 109  18.960  -7.060   0.914
  895   1HB   LEU 109           HB2      LEU 109  18.260  -7.842   3.745
  896   2HB   LEU 109           HB1      LEU 109  18.268  -6.218   3.088
  897    HG   LEU 109           HG       LEU 109  16.405  -8.409   2.181
  898   1HD1  LEU 109          3HD1      LEU 109  16.009  -7.788   4.515
  899   2HD1  LEU 109          2HD1      LEU 109  15.906  -6.091   4.044
  900   3HD1  LEU 109          1HD1      LEU 109  14.697  -7.238   3.467
  901   1HD2  LEU 109          2HD2      LEU 109  16.439  -5.438   1.643
  902   2HD2  LEU 109          1HD2      LEU 109  16.820  -6.712   0.482
  903   3HD2  LEU 109          3HD2      LEU 109  15.183  -6.564   1.125
  904    H    LYS 110           HN       LYS 110  20.283  -9.312   3.284
  905    HA   LYS 110           HA       LYS 110  22.421  -7.492   4.010
  906   1HB   LYS 110           HB2      LYS 110  21.175  -9.110   5.596
  907   2HB   LYS 110           HB1      LYS 110  22.177 -10.366   4.879
  908   1HG   LYS 110           HG2      LYS 110  23.127  -9.550   6.971
  909   2HG   LYS 110           HG1      LYS 110  24.188  -9.196   5.603
  910   1HD   LYS 110           HD2      LYS 110  24.027  -7.275   7.103
  911   2HD   LYS 110           HD1      LYS 110  23.330  -6.910   5.523
  912   1HE   LYS 110           HE2      LYS 110  21.089  -7.523   6.529
  913   2HE   LYS 110           HE1      LYS 110  21.892  -7.503   8.098
  914   1HZ   LYS 110           HZ2      LYS 110  22.539  -5.186   7.652
  915   2HZ   LYS 110           HZ1      LYS 110  21.668  -5.230   6.197
  916   3HZ   LYS 110           HZ3      LYS 110  20.855  -5.394   7.677
  917    H    LYS 111           HN       LYS 111  21.965 -10.519   2.282
  918    HA   LYS 111           HA       LYS 111  24.673 -11.132   1.825
  919   1HB   LYS 111           HB2      LYS 111  22.195 -11.841   0.254
  920   2HB   LYS 111           HB1      LYS 111  23.779 -12.538  -0.047
  921   1HG   LYS 111           HG2      LYS 111  22.341 -12.736   2.585
  922   2HG   LYS 111           HG1      LYS 111  22.242 -13.953   1.312
  923   1HD   LYS 111           HD2      LYS 111  24.707 -14.194   1.415
  924   2HD   LYS 111           HD1      LYS 111  24.727 -13.063   2.771
  925   1HE   LYS 111           HE2      LYS 111  23.398 -14.555   4.106
  926   2HE   LYS 111           HE1      LYS 111  23.167 -15.643   2.738
  927   1HZ   LYS 111           HZ1      LYS 111  25.770 -15.049   4.046
  928   2HZ   LYS 111           HZ3      LYS 111  24.857 -16.463   4.258
  929   3HZ   LYS 111           HZ2      LYS 111  25.536 -16.106   2.745
  930    H    MET 112           HN       MET 112  22.307  -9.450  -0.204
  931    HA   MET 112           HA       MET 112  24.152  -9.224  -2.379
  932   1HB   MET 112           HB2      MET 112  21.375  -8.159  -1.944
  933   2HB   MET 112           HB1      MET 112  22.297  -7.857  -3.412
  934   1HG   MET 112           HG2      MET 112  22.396 -10.208  -3.892
  935   2HG   MET 112           HG1      MET 112  21.625 -10.595  -2.355
  936   1HE   MET 112           HE2      MET 112  20.732  -7.648  -4.812
  937   2HE   MET 112           HE1      MET 112  21.155  -8.965  -5.907
  938   3HE   MET 112           HE3      MET 112  19.488  -8.397  -5.814
  939    H    LYS 113           HN       LYS 113  23.177  -7.104   0.228
  940    HA   LYS 113           HA       LYS 113  24.161  -4.742  -1.050
  941   1HB   LYS 113           HB2      LYS 113  22.511  -5.088   1.014
  942   2HB   LYS 113           HB1      LYS 113  24.004  -4.910   1.921
  943   1HG   LYS 113           HG2      LYS 113  23.170  -2.891  -0.136
  944   2HG   LYS 113           HG1      LYS 113  22.561  -2.830   1.515
  945   1HD   LYS 113           HD2      LYS 113  24.361  -1.517   1.859
  946   2HD   LYS 113           HD1      LYS 113  25.219  -3.052   1.974
  947   1HE   LYS 113           HE2      LYS 113  25.883  -2.904  -0.352
  948   2HE   LYS 113           HE1      LYS 113  24.929  -1.428  -0.558
  949   1HZ   LYS 113           HZ3      LYS 113  26.380  -0.334   1.062
  950   2HZ   LYS 113           HZ2      LYS 113  27.300  -1.749   1.213
  951   3HZ   LYS 113           HZ1      LYS 113  27.264  -0.916  -0.263
  952    H    LEU 114           HN       LEU 114  25.569  -7.158   1.139
  953    HA   LEU 114           HA       LEU 114  27.935  -5.509   1.318
  954   1HB   LEU 114           HB2      LEU 114  26.973  -6.569   3.342
  955   2HB   LEU 114           HB1      LEU 114  27.364  -8.141   2.664
  956    HG   LEU 114           HG       LEU 114  29.755  -7.540   2.684
  957   1HD1  LEU 114          3HD1      LEU 114  29.473  -5.122   2.458
  958   2HD1  LEU 114          2HD1      LEU 114  28.801  -5.050   4.086
  959   3HD1  LEU 114          1HD1      LEU 114  30.483  -5.529   3.849
  960   1HD2  LEU 114          1HD2      LEU 114  28.771  -8.737   4.564
  961   2HD2  LEU 114          3HD2      LEU 114  30.051  -7.648   5.103
  962   3HD2  LEU 114          2HD2      LEU 114  28.360  -7.204   5.332
  963    H    MET 115           HN       MET 115  27.343  -8.990   0.656
  964    HA   MET 115           HA       MET 115  30.046  -9.109  -0.410
  965   1HB   MET 115           HB2      MET 115  29.350 -10.799   1.224
  966   2HB   MET 115           HB1      MET 115  28.087 -11.342   0.129
  967   1HG   MET 115           HG2      MET 115  30.872 -11.317  -0.886
  968   2HG   MET 115           HG1      MET 115  30.436 -12.550   0.297
  969   1HE   MET 115           HE2      MET 115  27.378 -13.050  -0.382
  970   2HE   MET 115           HE1      MET 115  27.492 -14.396  -1.516
  971   3HE   MET 115           HE3      MET 115  28.526 -14.358  -0.086
  972    H    GLU 116           HN       GLU 116  26.749  -9.925  -1.508
  973    HA   GLU 116           HA       GLU 116  27.483 -10.721  -4.098
  974   1HB   GLU 116           HB2      GLU 116  24.921  -9.498  -3.092
  975   2HB   GLU 116           HB1      GLU 116  25.120 -10.174  -4.701
  976   1HG   GLU 116           HG2      GLU 116  25.519 -11.731  -2.160
  977   2HG   GLU 116           HG1      GLU 116  24.006 -11.678  -3.064
  978    H    LEU 117           HN       LEU 117  27.287  -7.683  -2.613
  979    HA   LEU 117           HA       LEU 117  26.913  -6.037  -4.916
  980   1HB   LEU 117           HB2      LEU 117  26.546  -5.522  -2.393
  981   2HB   LEU 117           HB1      LEU 117  28.259  -5.174  -2.370
  982    HG   LEU 117           HG       LEU 117  26.751  -3.178  -2.568
  983   1HD1  LEU 117          2HD1      LEU 117  29.099  -3.051  -3.217
  984   2HD1  LEU 117          1HD1      LEU 117  28.694  -3.609  -4.839
  985   3HD1  LEU 117          3HD1      LEU 117  28.097  -2.050  -4.266
  986   1HD2  LEU 117          2HD2      LEU 117  26.256  -4.326  -5.314
  987   2HD2  LEU 117          1HD2      LEU 117  25.068  -4.109  -4.032
  988   3HD2  LEU 117          3HD2      LEU 117  25.808  -2.702  -4.794
  989    H    ALA 118           HN       ALA 118  29.700  -6.941  -2.936
  990    HA   ALA 118           HA       ALA 118  31.461  -6.766  -5.160
  991   1HB   ALA 118           HB3      ALA 118  31.835  -4.829  -2.878
  992   2HB   ALA 118           HB2      ALA 118  32.961  -5.084  -4.213
  993   3HB   ALA 118           HB1      ALA 118  31.364  -4.403  -4.524
  994    H    ILE 119           HN       ILE 119  31.921  -8.866  -4.740
  995    HA   ILE 119           HA       ILE 119  32.721  -9.804  -2.164
  996    HB   ILE 119           HB       ILE 119  33.622 -11.217  -4.634
  997   1HG1  ILE 119          2HG1      ILE 119  30.732 -11.168  -3.712
  998   2HG1  ILE 119          1HG1      ILE 119  31.331 -10.442  -5.199
  999   1HG2  ILE 119          3HG2      ILE 119  34.051 -12.099  -2.377
 1000   2HG2  ILE 119          2HG2      ILE 119  32.310 -12.136  -2.078
 1001   3HG2  ILE 119          1HG2      ILE 119  33.015 -13.177  -3.315
 1002   1HD1  ILE 119          1HD1      ILE 119  31.991 -12.660  -5.998
 1003   2HD1  ILE 119          3HD1      ILE 119  31.337 -13.372  -4.524
 1004   3HD1  ILE 119          2HD1      ILE 119  30.265 -12.553  -5.660
 1005    H    LEU 120           HN       LEU 120  34.384  -8.990  -5.167
 1006    HA   LEU 120           HA       LEU 120  36.832  -8.448  -3.627
 1007   1HB   LEU 120           HB2      LEU 120  36.322  -9.103  -6.505
 1008   2HB   LEU 120           HB1      LEU 120  37.726  -8.144  -6.085
 1009    HG   LEU 120           HG       LEU 120  38.335 -10.474  -6.333
 1010   1HD1  LEU 120          3HD1      LEU 120  38.411  -9.537  -3.473
 1011   2HD1  LEU 120          2HD1      LEU 120  39.386 -10.848  -4.137
 1012   3HD1  LEU 120          1HD1      LEU 120  39.600  -9.202  -4.734
 1013   1HD2  LEU 120          3HD2      LEU 120  36.353 -11.029  -4.129
 1014   2HD2  LEU 120          2HD2      LEU 120  36.205 -11.519  -5.818
 1015   3HD2  LEU 120          1HD2      LEU 120  37.488 -12.195  -4.813
 1016    H    ASN 121           HN       ASN 121  38.042  -6.467  -4.618
 1017    HA   ASN 121           HA       ASN 121  36.495  -4.192  -4.124
 1018   1HB   ASN 121           HB2      ASN 121  38.446  -2.936  -5.194
 1019   2HB   ASN 121           HB1      ASN 121  38.806  -3.938  -3.797
 1020   1HD2  ASN 121          1HD2      ASN 121  38.262  -5.329  -6.976
 1021   2HD2  ASN 121          2HD2      ASN 121  39.907  -5.799  -7.242
 1022    H    GLY 122           HN       GLY 122  35.469  -2.701  -5.377
 1023   1HA   GLY 122           HA1      GLY 122  34.002  -2.257  -7.138
 1024   2HA   GLY 122           HA2      GLY 122  34.680  -3.619  -8.023
 1025    H    THR 123           HN       THR 123  37.222  -3.145  -8.333
 1026    HA   THR 123           HA       THR 123  37.321  -0.610  -9.813
 1027    HB   THR 123           HB       THR 123  39.610  -1.805  -8.258
 1028    HG1  THR 123           HG1      THR 123  37.538  -0.162  -7.475
 1029   1HG2  THR 123          1HG2      THR 123  39.252   0.880  -9.596
 1030   2HG2  THR 123          3HG2      THR 123  40.642   0.411  -8.618
 1031   3HG2  THR 123          2HG2      THR 123  40.310  -0.423 -10.135
 1032    H    TYR 124           HN       TYR 124  39.098  -3.641  -9.239
 1033    HA   TYR 124           HA       TYR 124  39.039  -4.181 -12.109
 1034   1HB   TYR 124           HB2      TYR 124  41.503  -4.282 -10.364
 1035   2HB   TYR 124           HB1      TYR 124  41.397  -5.073 -11.930
 1036    HD1  TYR 124           HD1      TYR 124  41.083  -3.666 -13.981
 1037    HD2  TYR 124           HD2      TYR 124  41.990  -1.986 -10.182
 1038    HE1  TYR 124           HE1      TYR 124  41.784  -1.585 -15.078
 1039    HE2  TYR 124           HE2      TYR 124  42.697   0.102 -11.270
 1040    HH   TYR 124           HH       TYR 124  43.472   0.884 -13.433
 1041    H    ARG 125           HN       ARG 125  38.280  -6.184 -12.471
 1042    HA   ARG 125           HA       ARG 125  37.909  -8.084 -10.411
 1043   1HB   ARG 125           HB2      ARG 125  37.391  -9.674 -12.252
 1044   2HB   ARG 125           HB1      ARG 125  36.505  -8.162 -12.370
 1045   1HG   ARG 125           HG2      ARG 125  38.006  -7.379 -14.099
 1046   2HG   ARG 125           HG1      ARG 125  38.983  -8.841 -13.941
 1047   1HD   ARG 125           HD2      ARG 125  36.071  -8.805 -14.727
 1048   2HD   ARG 125           HD1      ARG 125  37.414  -8.892 -15.866
 1049    HE   ARG 125           HE       ARG 125  38.026 -11.020 -14.681
 1050   1HH1  ARG 125          1HH1      ARG 125  34.730  -9.840 -14.784
 1051   2HH1  ARG 125          2HH1      ARG 125  34.018 -11.407 -14.551
 1052   1HH2  ARG 125          1HH2      ARG 125  37.097 -13.105 -14.431
 1053   2HH2  ARG 125          2HH2      ARG 125  35.360 -13.275 -14.418
 1054    H    ASP 126           HN       ASP 126  40.566  -7.336 -12.485
 1055    HA   ASP 126           HA       ASP 126  42.024  -9.753 -12.109
 1056   1HB   ASP 126           HB2      ASP 126  42.883  -6.971 -12.935
 1057   2HB   ASP 126           HB1      ASP 126  43.968  -8.352 -12.897
 1058    H    ALA 127           HN       ALA 127  41.443  -6.985 -10.197
 1059    HA   ALA 127           HA       ALA 127  43.721  -7.326  -8.478
 1060   1HB   ALA 127           HB2      ALA 127  41.228  -5.702  -8.048
 1061   2HB   ALA 127           HB1      ALA 127  42.734  -5.569  -7.142
 1062   3HB   ALA 127           HB3      ALA 127  42.689  -5.116  -8.843
 1063    H    ASN 128           HN       ASN 128  41.790  -9.478  -8.983
 1064    HA   ASN 128           HA       ASN 128  40.323 -10.027  -6.646
 1065   1HB   ASN 128           HB2      ASN 128  39.828 -12.031  -7.665
 1066   2HB   ASN 128           HB1      ASN 128  40.215 -11.037  -9.056
 1067   1HD2  ASN 128          1HD2      ASN 128  42.055 -11.463 -10.243
 1068   2HD2  ASN 128          2HD2      ASN 128  42.979 -12.910 -10.042
 1069    H    LEU 129           HN       LEU 129  43.634 -10.273  -7.487
 1070    HA   LEU 129           HA       LEU 129  44.200 -11.654  -4.952
 1071   1HB   LEU 129           HB2      LEU 129  44.994 -12.630  -7.227
 1072   2HB   LEU 129           HB1      LEU 129  46.168 -11.333  -7.204
 1073    HG   LEU 129           HG       LEU 129  45.925 -13.458  -5.079
 1074   1HD1  LEU 129          2HD1      LEU 129  47.855 -13.203  -7.376
 1075   2HD1  LEU 129          1HD1      LEU 129  47.961 -14.391  -6.078
 1076   3HD1  LEU 129          3HD1      LEU 129  46.600 -14.426  -7.196
 1077   1HD2  LEU 129          1HD2      LEU 129  48.054 -11.378  -5.581
 1078   2HD2  LEU 129          3HD2      LEU 129  46.923 -11.406  -4.228
 1079   3HD2  LEU 129          2HD2      LEU 129  48.148 -12.668  -4.381
 1080    H    LYS 130           HN       LYS 130  44.456 -10.061  -3.493
 1081    HA   LYS 130           HA       LYS 130  46.498  -8.065  -4.052
 1082   1HB   LYS 130           HB2      LYS 130  45.085  -6.398  -2.725
 1083   2HB   LYS 130           HB1      LYS 130  44.588  -6.742  -4.374
 1084   1HG   LYS 130           HG2      LYS 130  42.875  -8.289  -3.507
 1085   2HG   LYS 130           HG1      LYS 130  43.353  -7.859  -1.863
 1086   1HD   LYS 130           HD2      LYS 130  42.655  -5.603  -2.158
 1087   2HD   LYS 130           HD1      LYS 130  42.470  -5.820  -3.897
 1088   1HE   LYS 130           HE2      LYS 130  40.293  -5.794  -2.885
 1089   2HE   LYS 130           HE1      LYS 130  40.637  -7.427  -3.456
 1090   1HZ   LYS 130           HZ3      LYS 130  40.913  -6.500  -0.642
 1091   2HZ   LYS 130           HZ2      LYS 130  39.626  -7.421  -1.255
 1092   3HZ   LYS 130           HZ1      LYS 130  41.183  -8.078  -1.207
 1093    H    SER 131           HN       SER 131  47.939  -7.825  -2.471
 1094    HA   SER 131           HA       SER 131  47.777  -9.638  -0.241
 1095   1HB   SER 131           HB2      SER 131  49.953  -7.625  -0.842
 1096   2HB   SER 131           HB1      SER 131  50.086  -9.107   0.108
 1097    HG   SER 131           HG       SER 131  49.598 -10.262  -1.863
 1098    HA   PRO 132           HA       PRO 132  45.973  -6.415   2.355
 1099   1HB   PRO 132           HB2      PRO 132  46.243  -8.485   4.441
 1100   2HB   PRO 132           HB1      PRO 132  44.799  -7.638   3.878
 1101   1HG   PRO 132           HG2      PRO 132  45.226 -10.220   3.299
 1102   2HG   PRO 132           HG1      PRO 132  44.437  -9.123   2.151
 1103   1HD   PRO 132           HD2      PRO 132  47.261 -10.120   2.188
 1104   2HD   PRO 132           HD1      PRO 132  46.161  -9.895   0.810
 1105    H    ALA 133           HN       ALA 133  48.778  -8.405   3.146
 1106    HA   ALA 133           HA       ALA 133  49.632  -6.614   5.245
 1107   1HB   ALA 133           HB1      ALA 133  51.052  -8.988   4.059
 1108   2HB   ALA 133           HB2      ALA 133  49.971  -9.029   5.448
 1109   3HB   ALA 133           HB3      ALA 133  51.490  -8.142   5.542
 1110    H    LEU 134           HN       LEU 134  49.882  -6.580   1.923
 1111    HA   LEU 134           HA       LEU 134  52.397  -5.058   2.048
 1112   1HB   LEU 134           HB2      LEU 134  51.250  -6.624  -0.265
 1113   2HB   LEU 134           HB1      LEU 134  52.688  -5.625  -0.352
 1114    HG   LEU 134           HG       LEU 134  52.373  -8.097   1.358
 1115   1HD1  LEU 134          2HD1      LEU 134  53.933  -7.623  -1.179
 1116   2HD1  LEU 134          1HD1      LEU 134  53.996  -9.085  -0.196
 1117   3HD1  LEU 134          3HD1      LEU 134  52.500  -8.633  -1.009
 1118   1HD2  LEU 134          3HD2      LEU 134  53.856  -6.453   2.375
 1119   2HD2  LEU 134          2HD2      LEU 134  54.767  -7.841   1.777
 1120   3HD2  LEU 134          1HD2      LEU 134  54.766  -6.329   0.869

  No H/Q in entry =        1120
  Start of MODEL   11
    1    H1   GLN   1           HT2      GLN   1 -11.883  13.872 -11.757
    2    H2   GLN   1           HT1      GLN   1 -12.484  15.238 -10.943
    3    H3   GLN   1           HT3      GLN   1 -11.215  15.401 -12.058
    4    HA   GLN   1           HA       GLN   1 -10.322  15.532  -9.872
    5   1HB   GLN   1           HB2      GLN   1 -10.596  13.790  -8.256
    6   2HB   GLN   1           HB1      GLN   1 -12.185  14.288  -8.803
    7   1HG   GLN   1           HG2      GLN   1 -11.864  12.276 -10.459
    8   2HG   GLN   1           HG1      GLN   1 -10.745  11.744  -9.210
    9   1HE2  GLN   1          1HE2      GLN   1 -11.519  11.232  -7.178
   10   2HE2  GLN   1          2HE2      GLN   1 -13.197  10.999  -6.863
   11    H    LEU   2           HN       LEU   2  -8.397  14.191  -9.106
   12    HA   LEU   2           HA       LEU   2  -7.320  12.699 -11.387
   13   1HB   LEU   2           HB2      LEU   2  -5.890  14.480 -11.253
   14   2HB   LEU   2           HB1      LEU   2  -6.205  14.743  -9.549
   15    HG   LEU   2           HG       LEU   2  -4.807  12.759  -9.054
   16   1HD1  LEU   2          2HD1      LEU   2  -4.101  12.971 -11.981
   17   2HD1  LEU   2          1HD1      LEU   2  -3.239  11.989 -10.796
   18   3HD1  LEU   2          3HD1      LEU   2  -4.918  11.620 -11.193
   19   1HD2  LEU   2          2HD2      LEU   2  -3.484  15.032 -10.525
   20   2HD2  LEU   2          1HD2      LEU   2  -3.933  15.010  -8.820
   21   3HD2  LEU   2          3HD2      LEU   2  -2.675  13.926  -9.415
   22    H    GLN   3           HN       GLN   3  -6.629  10.642 -11.003
   23    HA   GLN   3           HA       GLN   3  -6.523   9.761  -8.194
   24   1HB   GLN   3           HB2      GLN   3  -7.454   7.978 -10.434
   25   2HB   GLN   3           HB1      GLN   3  -7.556   7.690  -8.705
   26   1HG   GLN   3           HG2      GLN   3  -9.163   9.656  -8.637
   27   2HG   GLN   3           HG1      GLN   3  -9.216   9.522 -10.396
   28   1HE2  GLN   3          1HE2      GLN   3  -8.787   6.571 -10.149
   29   2HE2  GLN   3          2HE2      GLN   3 -10.326   5.931  -9.695
   30    H    GLU   4           HN       GLU   4  -4.729   8.672  -7.660
   31    HA   GLU   4           HA       GLU   4  -3.142   7.517  -9.858
   32   1HB   GLU   4           HB2      GLU   4  -2.011   8.231  -7.163
   33   2HB   GLU   4           HB1      GLU   4  -1.148   7.918  -8.663
   34   1HG   GLU   4           HG2      GLU   4  -2.760  10.063  -9.279
   35   2HG   GLU   4           HG1      GLU   4  -2.250  10.370  -7.621
   36    H    LYS   5           HN       LYS   5  -2.728   5.373  -9.751
   37    HA   LYS   5           HA       LYS   5  -3.860   4.010  -7.396
   38   1HB   LYS   5           HB2      LYS   5  -3.631   2.594 -10.018
   39   2HB   LYS   5           HB1      LYS   5  -4.734   2.299  -8.695
   40   1HG   LYS   5           HG2      LYS   5  -6.069   3.113 -10.434
   41   2HG   LYS   5           HG1      LYS   5  -5.864   4.469  -9.317
   42   1HD   LYS   5           HD2      LYS   5  -4.339   5.547 -10.741
   43   2HD   LYS   5           HD1      LYS   5  -4.093   4.097 -11.722
   44   1HE   LYS   5           HE2      LYS   5  -6.664   5.663 -11.545
   45   2HE   LYS   5           HE1      LYS   5  -5.464   5.844 -12.823
   46   1HZ   LYS   5           HZ3      LYS   5  -5.844   3.271 -13.030
   47   2HZ   LYS   5           HZ2      LYS   5  -7.332   3.644 -12.319
   48   3HZ   LYS   5           HZ1      LYS   5  -6.892   4.373 -13.785
   49    H    LEU   6           HN       LEU   6  -2.363   3.120  -6.239
   50    HA   LEU   6           HA       LEU   6   0.119   2.294  -7.558
   51   1HB   LEU   6           HB2      LEU   6  -0.337   2.773  -4.614
   52   2HB   LEU   6           HB1      LEU   6   1.203   2.635  -5.448
   53    HG   LEU   6           HG       LEU   6  -0.778   4.860  -5.954
   54   1HD1  LEU   6          2HD1      LEU   6   0.099   4.888  -3.631
   55   2HD1  LEU   6          1HD1      LEU   6   1.734   4.977  -4.288
   56   3HD1  LEU   6          3HD1      LEU   6   0.584   6.286  -4.590
   57   1HD2  LEU   6          1HD2      LEU   6   0.751   4.397  -7.797
   58   2HD2  LEU   6          3HD2      LEU   6   1.116   5.946  -7.040
   59   3HD2  LEU   6          2HD2      LEU   6   2.127   4.541  -6.702
   60    H    TYR   7           HN       TYR   7  -0.286   0.290  -8.197
   61    HA   TYR   7           HA       TYR   7  -2.045  -1.487  -6.924
   62   1HB   TYR   7           HB2      TYR   7  -0.109  -1.651  -9.166
   63   2HB   TYR   7           HB1      TYR   7  -0.603  -3.171  -8.426
   64    HD1  TYR   7           HD1      TYR   7  -2.880  -3.954  -8.591
   65    HD2  TYR   7           HD2      TYR   7  -1.696  -0.300 -10.412
   66    HE1  TYR   7           HE1      TYR   7  -4.940  -3.968  -9.942
   67    HE2  TYR   7           HE2      TYR   7  -3.751  -0.295 -11.763
   68    HH   TYR   7           HH       TYR   7  -5.374  -2.002 -12.632
   69    H    VAL   8           HN       VAL   8  -1.790  -3.092  -5.531
   70    HA   VAL   8           HA       VAL   8   0.883  -4.085  -4.948
   71    HB   VAL   8           HB       VAL   8   0.411  -2.258  -3.323
   72   1HG1  VAL   8          2HG1      VAL   8  -2.015  -2.522  -3.165
   73   2HG1  VAL   8          1HG1      VAL   8  -1.783  -4.065  -2.321
   74   3HG1  VAL   8          3HG1      VAL   8  -1.239  -2.556  -1.575
   75   1HG2  VAL   8          2HG2      VAL   8   1.935  -4.043  -2.797
   76   2HG2  VAL   8          1HG2      VAL   8   1.053  -3.545  -1.352
   77   3HG2  VAL   8          3HG2      VAL   8   0.605  -5.030  -2.193
   78    HA   PRO   9           HA       PRO   9  -1.945  -7.211  -5.963
   79   1HB   PRO   9           HB2      PRO   9  -0.240  -9.239  -6.390
   80   2HB   PRO   9           HB1      PRO   9  -0.330  -7.833  -7.465
   81   1HG   PRO   9           HG2      PRO   9   1.644  -8.460  -5.310
   82   2HG   PRO   9           HG1      PRO   9   1.923  -7.754  -6.915
   83   1HD   PRO   9           HD2      PRO   9   1.773  -6.284  -4.589
   84   2HD   PRO   9           HD1      PRO   9   1.423  -5.636  -6.204
   85    H    VAL  10           HN       VAL  10  -3.111  -7.460  -4.089
   86    HA   VAL  10           HA       VAL  10  -2.203  -8.908  -1.837
   87    HB   VAL  10           HB       VAL  10  -4.188  -7.302  -1.982
   88   1HG1  VAL  10          1HG1      VAL  10  -5.594  -9.802  -2.894
   89   2HG1  VAL  10          3HG1      VAL  10  -6.384  -8.313  -2.373
   90   3HG1  VAL  10          2HG1      VAL  10  -5.380  -8.318  -3.823
   91   1HG2  VAL  10          1HG2      VAL  10  -3.600  -8.525   0.036
   92   2HG2  VAL  10          3HG2      VAL  10  -5.351  -8.394  -0.139
   93   3HG2  VAL  10          2HG2      VAL  10  -4.538  -9.913  -0.521
   94    H    LYS  11           HN       LYS  11  -3.464  -9.768  -4.903
   95    HA   LYS  11           HA       LYS  11  -4.194 -12.457  -4.339
   96   1HB   LYS  11           HB2      LYS  11  -4.034 -12.781  -6.802
   97   2HB   LYS  11           HB1      LYS  11  -5.033 -11.409  -6.349
   98   1HG   LYS  11           HG2      LYS  11  -3.311  -9.867  -6.958
   99   2HG   LYS  11           HG1      LYS  11  -2.157 -11.180  -7.217
  100   1HD   LYS  11           HD2      LYS  11  -3.704 -12.039  -9.007
  101   2HD   LYS  11           HD1      LYS  11  -4.628 -10.548  -8.824
  102   1HE   LYS  11           HE2      LYS  11  -1.681 -10.580  -9.442
  103   2HE   LYS  11           HE1      LYS  11  -2.916 -10.601 -10.696
  104   1HZ   LYS  11           HZ3      LYS  11  -2.888  -8.492  -8.615
  105   2HZ   LYS  11           HZ2      LYS  11  -1.936  -8.361 -10.015
  106   3HZ   LYS  11           HZ1      LYS  11  -3.623  -8.469 -10.145
  107    H    GLU  12           HN       GLU  12  -1.212 -10.817  -4.931
  108    HA   GLU  12           HA       GLU  12   0.338 -13.195  -5.395
  109   1HB   GLU  12           HB2      GLU  12   1.083 -10.328  -4.851
  110   2HB   GLU  12           HB1      GLU  12   2.270 -11.606  -5.086
  111   1HG   GLU  12           HG2      GLU  12   0.232 -10.656  -7.079
  112   2HG   GLU  12           HG1      GLU  12   1.972 -10.397  -7.141
  113    H    TYR  13           HN       TYR  13  -0.543 -11.166  -2.707
  114    HA   TYR  13           HA       TYR  13   1.042 -12.884  -0.914
  115   1HB   TYR  13           HB2      TYR  13   0.295  -9.993  -0.419
  116   2HB   TYR  13           HB1      TYR  13   1.354 -10.997   0.568
  117    HD1  TYR  13           HD1      TYR  13   3.663 -11.291  -0.013
  118    HD2  TYR  13           HD2      TYR  13   1.035  -9.208  -2.627
  119    HE1  TYR  13           HE1      TYR  13   5.595 -10.474  -1.307
  120    HE2  TYR  13           HE2      TYR  13   2.939  -8.398  -3.927
  121    HH   TYR  13           HH       TYR  13   6.185  -9.577  -3.377
  122    HA   PRO  14           HA       PRO  14  -3.412 -13.409   0.196
  123   1HB   PRO  14           HB2      PRO  14  -3.173 -16.034   0.884
  124   2HB   PRO  14           HB1      PRO  14  -3.481 -15.490  -0.768
  125   1HG   PRO  14           HG2      PRO  14  -0.910 -16.345   0.500
  126   2HG   PRO  14           HG1      PRO  14  -1.538 -16.709  -1.118
  127   1HD   PRO  14           HD2      PRO  14   0.341 -14.810  -0.662
  128   2HD   PRO  14           HD1      PRO  14  -0.845 -14.690  -1.977
  129    H    ASP  15           HN       ASP  15  -0.408 -14.031   1.784
  130    HA   ASP  15           HA       ASP  15  -1.654 -14.311   4.401
  131   1HB   ASP  15           HB2      ASP  15   1.171 -14.615   3.415
  132   2HB   ASP  15           HB1      ASP  15   0.799 -14.542   5.134
  133    H    PHE  16           HN       PHE  16  -0.700 -11.803   2.454
  134    HA   PHE  16           HA       PHE  16  -0.243 -10.078   4.804
  135   1HB   PHE  16           HB2      PHE  16   1.677 -10.387   3.083
  136   2HB   PHE  16           HB1      PHE  16   0.697  -9.319   2.069
  137    HD1  PHE  16           HD1      PHE  16   2.530  -9.587   5.248
  138    HD2  PHE  16           HD2      PHE  16   0.504  -7.000   2.547
  139    HE1  PHE  16           HE1      PHE  16   3.424  -7.636   6.452
  140    HE2  PHE  16           HE2      PHE  16   1.402  -5.060   3.717
  141    HZ   PHE  16           HZ       PHE  16   2.862  -5.366   5.684
  142    H    ASN  17           HN       ASN  17  -2.109  -9.171   5.211
  143    HA   ASN  17           HA       ASN  17  -3.904  -8.469   3.060
  144   1HB   ASN  17           HB2      ASN  17  -5.277  -7.512   5.019
  145   2HB   ASN  17           HB1      ASN  17  -5.102  -9.252   4.890
  146   1HD2  ASN  17          1HD2      ASN  17  -2.742  -6.908   6.193
  147   2HD2  ASN  17          2HD2      ASN  17  -2.745  -7.576   7.800
  148    H    PHE  18           HN       PHE  18  -3.299  -6.742   1.882
  149    HA   PHE  18           HA       PHE  18  -1.894  -4.573   3.027
  150   1HB   PHE  18           HB2      PHE  18  -3.400  -4.700   0.410
  151   2HB   PHE  18           HB1      PHE  18  -2.293  -3.409   0.898
  152    HD1  PHE  18           HD1      PHE  18   0.099  -4.318   1.721
  153    HD2  PHE  18           HD2      PHE  18  -2.570  -6.341  -0.903
  154    HE1  PHE  18           HE1      PHE  18   1.994  -5.623   0.804
  155    HE2  PHE  18           HE2      PHE  18  -0.707  -7.636  -1.820
  156    HZ   PHE  18           HZ       PHE  18   1.671  -7.220  -0.835
  157    H    VAL  19           HN       VAL  19  -5.313  -5.224   2.590
  158    HA   VAL  19           HA       VAL  19  -6.189  -2.654   3.509
  159    HB   VAL  19           HB       VAL  19  -7.547  -5.355   3.516
  160   1HG1  VAL  19          3HG1      VAL  19  -8.709  -2.648   4.150
  161   2HG1  VAL  19          2HG1      VAL  19  -9.637  -4.128   3.915
  162   3HG1  VAL  19          1HG1      VAL  19  -8.513  -3.997   5.267
  163   1HG2  VAL  19          3HG2      VAL  19  -7.095  -4.477   1.297
  164   2HG2  VAL  19          2HG2      VAL  19  -8.824  -4.442   1.639
  165   3HG2  VAL  19          1HG2      VAL  19  -7.880  -2.955   1.720
  166    H    GLY  20           HN       GLY  20  -5.867  -5.794   5.129
  167   1HA   GLY  20           HA1      GLY  20  -5.457  -6.303   7.321
  168   2HA   GLY  20           HA2      GLY  20  -6.370  -4.858   7.723
  169    H    ARG  21           HN       ARG  21  -3.677  -4.304   5.716
  170    HA   ARG  21           HA       ARG  21  -2.046  -3.575   8.022
  171   1HB   ARG  21           HB2      ARG  21  -0.848  -4.990   6.484
  172   2HB   ARG  21           HB1      ARG  21  -1.258  -3.961   5.123
  173   1HG   ARG  21           HG2      ARG  21  -0.081  -2.147   6.632
  174   2HG   ARG  21           HG1      ARG  21   0.727  -3.576   7.282
  175   1HD   ARG  21           HD2      ARG  21   1.804  -2.299   5.333
  176   2HD   ARG  21           HD1      ARG  21   1.770  -4.048   5.287
  177    HE   ARG  21           HE       ARG  21   0.535  -3.901   3.385
  178   1HH1  ARG  21          1HH1      ARG  21   0.104  -1.004   5.230
  179   2HH1  ARG  21          2HH1      ARG  21  -0.770  -0.170   3.992
  180   1HH2  ARG  21          1HH2      ARG  21  -0.609  -2.838   1.712
  181   2HH2  ARG  21          2HH2      ARG  21  -1.186  -1.226   1.968
  182    H    ILE  22           HN       ILE  22  -3.505  -2.174   5.094
  183    HA   ILE  22           HA       ILE  22  -2.237   0.385   5.338
  184    HB   ILE  22           HB       ILE  22  -4.624  -0.635   3.821
  185   1HG1  ILE  22          2HG1      ILE  22  -2.316  -0.825   2.907
  186   2HG1  ILE  22          1HG1      ILE  22  -3.413   0.097   1.882
  187   1HG2  ILE  22          3HG2      ILE  22  -5.399   1.508   4.681
  188   2HG2  ILE  22          2HG2      ILE  22  -3.948   2.297   4.064
  189   3HG2  ILE  22          1HG2      ILE  22  -5.115   1.598   2.944
  190   1HD1  ILE  22          2HD1      ILE  22  -2.449   2.172   2.721
  191   2HD1  ILE  22          1HD1      ILE  22  -1.353   1.247   3.746
  192   3HD1  ILE  22          3HD1      ILE  22  -1.229   1.128   1.993
  193    H    LEU  23           HN       LEU  23  -5.471  -0.814   6.073
  194    HA   LEU  23           HA       LEU  23  -5.943   1.575   7.690
  195   1HB   LEU  23           HB2      LEU  23  -8.361   1.035   7.426
  196   2HB   LEU  23           HB1      LEU  23  -7.534   1.465   5.945
  197    HG   LEU  23           HG       LEU  23  -7.312  -1.163   5.711
  198   1HD1  LEU  23          2HD1      LEU  23  -9.787  -0.840   7.398
  199   2HD1  LEU  23          1HD1      LEU  23  -9.313  -2.300   6.529
  200   3HD1  LEU  23          3HD1      LEU  23  -8.318  -1.700   7.855
  201   1HD2  LEU  23          3HD2      LEU  23  -9.808   0.414   5.119
  202   2HD2  LEU  23          2HD2      LEU  23  -8.369   0.293   4.105
  203   3HD2  LEU  23          1HD2      LEU  23  -9.373  -1.129   4.383
  204    H    GLY  24           HN       GLY  24  -5.346  -1.711   7.845
  205   1HA   GLY  24           HA1      GLY  24  -5.317  -3.223   9.562
  206   2HA   GLY  24           HA2      GLY  24  -7.012  -2.799   9.686
  207    HA   PRO  25           HA       PRO  25  -4.864  -1.069  13.472
  208   1HB   PRO  25           HB2      PRO  25  -2.102  -1.288  13.559
  209   2HB   PRO  25           HB1      PRO  25  -3.235  -2.534  14.082
  210   1HG   PRO  25           HG2      PRO  25  -1.439  -2.617  11.860
  211   2HG   PRO  25           HG1      PRO  25  -2.610  -3.848  12.358
  212   1HD   PRO  25           HD2      PRO  25  -2.814  -1.799  10.237
  213   2HD   PRO  25           HD1      PRO  25  -3.659  -3.354  10.395
  214    H    ARG  26           HN       ARG  26  -3.588  -0.032  10.478
  215    HA   ARG  26           HA       ARG  26  -2.432   2.396  11.675
  216   1HB   ARG  26           HB2      ARG  26  -1.857   1.296   8.925
  217   2HB   ARG  26           HB1      ARG  26  -0.984   2.563   9.772
  218   1HG   ARG  26           HG2      ARG  26  -1.072  -0.346  10.529
  219   2HG   ARG  26           HG1      ARG  26   0.277   0.500   9.767
  220   1HD   ARG  26           HD2      ARG  26   0.489   1.927  11.741
  221   2HD   ARG  26           HD1      ARG  26  -0.866   1.085  12.495
  222    HE   ARG  26           HE       ARG  26   1.312  -0.628  11.680
  223   1HH1  ARG  26          1HH1      ARG  26  -0.070   1.282  14.292
  224   2HH1  ARG  26          2HH1      ARG  26   0.834   0.455  15.531
  225   1HH2  ARG  26          1HH2      ARG  26   2.481  -1.712  13.317
  226   2HH2  ARG  26          2HH2      ARG  26   2.245  -1.257  14.980
  227    H    GLY  27           HN       GLY  27  -5.303   1.727  10.688
  228   1HA   GLY  27           HA1      GLY  27  -7.025   2.926   9.754
  229   2HA   GLY  27           HA2      GLY  27  -5.969   3.026   8.353
  230    H    LEU  28           HN       LEU  28  -5.082   4.462  11.384
  231    HA   LEU  28           HA       LEU  28  -6.075   7.015  11.217
  232   1HB   LEU  28           HB2      LEU  28  -3.350   6.128  12.161
  233   2HB   LEU  28           HB1      LEU  28  -4.020   7.724  12.445
  234    HG   LEU  28           HG       LEU  28  -5.185   5.135  13.472
  235   1HD1  LEU  28          2HD1      LEU  28  -3.075   5.730  14.558
  236   2HD1  LEU  28          1HD1      LEU  28  -3.715   7.333  14.918
  237   3HD1  LEU  28          3HD1      LEU  28  -4.443   5.904  15.656
  238   1HD2  LEU  28          2HD2      LEU  28  -6.881   6.846  13.027
  239   2HD2  LEU  28          1HD2      LEU  28  -6.679   6.570  14.758
  240   3HD2  LEU  28          3HD2      LEU  28  -5.971   8.000  14.004
  241    H    THR  29           HN       THR  29  -3.279   5.657   9.499
  242    HA   THR  29           HA       THR  29  -2.264   8.119   8.584
  243    HB   THR  29           HB       THR  29  -0.930   6.020   8.548
  244    HG1  THR  29           HG1      THR  29  -1.200   7.722   6.333
  245   1HG2  THR  29          2HG2      THR  29  -2.605   5.343   6.125
  246   2HG2  THR  29          1HG2      THR  29  -1.162   4.478   6.654
  247   3HG2  THR  29          3HG2      THR  29  -2.609   4.477   7.661
  248    H    ALA  30           HN       ALA  30  -4.630   5.905   7.156
  249    HA   ALA  30           HA       ALA  30  -4.782   7.187   4.645
  250   1HB   ALA  30           HB2      ALA  30  -5.665   4.942   5.029
  251   2HB   ALA  30           HB3      ALA  30  -6.909   6.007   4.375
  252   3HB   ALA  30           HB1      ALA  30  -6.906   5.605   6.093
  253    H    LYS  31           HN       LYS  31  -6.498   7.629   7.672
  254    HA   LYS  31           HA       LYS  31  -8.337   9.567   6.727
  255   1HB   LYS  31           HB2      LYS  31  -7.390   8.700   9.425
  256   2HB   LYS  31           HB1      LYS  31  -8.504  10.056   9.251
  257   1HG   LYS  31           HG2      LYS  31 -10.071   8.610   8.052
  258   2HG   LYS  31           HG1      LYS  31  -8.968   7.253   8.260
  259   1HD   LYS  31           HD2      LYS  31  -9.307   7.202  10.585
  260   2HD   LYS  31           HD1      LYS  31 -10.060   8.799  10.590
  261   1HE   LYS  31           HE2      LYS  31 -11.636   6.844  10.818
  262   2HE   LYS  31           HE1      LYS  31 -12.011   7.988   9.531
  263   1HZ   LYS  31           HZ1      LYS  31 -10.579   5.407   9.149
  264   2HZ   LYS  31           HZ3      LYS  31 -12.223   5.671   8.814
  265   3HZ   LYS  31           HZ2      LYS  31 -11.036   6.494   7.926
  266    H    GLN  32           HN       GLN  32  -5.124   9.775   8.153
  267    HA   GLN  32           HA       GLN  32  -5.220  12.581   8.580
  268   1HB   GLN  32           HB2      GLN  32  -2.827  10.765   8.239
  269   2HB   GLN  32           HB1      GLN  32  -2.759  12.428   8.801
  270   1HG   GLN  32           HG2      GLN  32  -4.026  10.079  10.179
  271   2HG   GLN  32           HG1      GLN  32  -2.616  11.001  10.695
  272   1HE2  GLN  32          1HE2      GLN  32  -6.077  10.972  10.413
  273   2HE2  GLN  32          2HE2      GLN  32  -6.382  12.315  11.457
  274    H    LEU  33           HN       LEU  33  -4.377  10.549   5.856
  275    HA   LEU  33           HA       LEU  33  -3.071  12.603   4.373
  276   1HB   LEU  33           HB2      LEU  33  -4.450  10.222   3.149
  277   2HB   LEU  33           HB1      LEU  33  -3.096  11.129   2.512
  278    HG   LEU  33           HG       LEU  33  -3.136   9.030   4.635
  279   1HD1  LEU  33          2HD1      LEU  33  -2.664   8.366   2.355
  280   2HD1  LEU  33          1HD1      LEU  33  -1.352   9.541   2.264
  281   3HD1  LEU  33          3HD1      LEU  33  -1.234   8.170   3.368
  282   1HD2  LEU  33          2HD2      LEU  33  -1.026  11.162   4.348
  283   2HD2  LEU  33          1HD2      LEU  33  -2.030  10.824   5.763
  284   3HD2  LEU  33          3HD2      LEU  33  -0.814   9.656   5.241
  285    H    GLU  34           HN       GLU  34  -6.404  11.348   4.381
  286    HA   GLU  34           HA       GLU  34  -7.201  13.067   2.255
  287   1HB   GLU  34           HB2      GLU  34  -9.551  12.530   3.105
  288   2HB   GLU  34           HB1      GLU  34  -8.565  11.183   2.555
  289   1HG   GLU  34           HG2      GLU  34  -8.030  10.624   4.868
  290   2HG   GLU  34           HG1      GLU  34  -8.993  11.990   5.426
  291    H    ALA  35           HN       ALA  35  -7.231  13.295   5.758
  292    HA   ALA  35           HA       ALA  35  -8.723  15.679   5.936
  293   1HB   ALA  35           HB2      ALA  35  -7.878  15.836   8.214
  294   2HB   ALA  35           HB3      ALA  35  -6.675  14.595   7.861
  295   3HB   ALA  35           HB1      ALA  35  -8.390  14.190   7.840
  296    H    GLU  36           HN       GLU  36  -5.220  15.090   5.723
  297    HA   GLU  36           HA       GLU  36  -4.681  17.933   5.955
  298   1HB   GLU  36           HB2      GLU  36  -2.795  15.622   5.489
  299   2HB   GLU  36           HB1      GLU  36  -2.308  17.284   5.778
  300   1HG   GLU  36           HG2      GLU  36  -3.447  17.146   7.995
  301   2HG   GLU  36           HG1      GLU  36  -3.684  15.423   7.694
  302    H    THR  37           HN       THR  37  -4.179  15.393   3.485
  303    HA   THR  37           HA       THR  37  -2.924  17.283   1.737
  304    HB   THR  37           HB       THR  37  -2.557  15.516   0.208
  305    HG1  THR  37           HG1      THR  37  -4.362  13.854   1.650
  306   1HG2  THR  37          3HG2      THR  37  -1.254  15.316   2.276
  307   2HG2  THR  37          2HG2      THR  37  -2.524  14.313   2.981
  308   3HG2  THR  37          1HG2      THR  37  -1.611  13.734   1.587
  309    H    GLY  38           HN       GLY  38  -6.125  16.267   2.320
  310   1HA   GLY  38           HA1      GLY  38  -7.166  17.862   0.143
  311   2HA   GLY  38           HA2      GLY  38  -8.108  16.982   1.346
  312    H    CYS  39           HN       CYS  39  -5.989  14.793   0.403
  313    HA   CYS  39           HA       CYS  39  -7.626  13.850  -1.839
  314   1HB   CYS  39           HB2      CYS  39  -5.289  13.954  -2.401
  315   2HB   CYS  39           HB1      CYS  39  -4.850  13.083  -0.932
  316    HG   CYS  39           HG       CYS  39  -5.866  10.668  -1.705
  317    H    LYS  40           HN       LYS  40  -9.099  12.459  -1.373
  318    HA   LYS  40           HA       LYS  40  -8.999  10.903   1.053
  319   1HB   LYS  40           HB2      LYS  40 -11.129  11.787   0.205
  320   2HB   LYS  40           HB1      LYS  40 -10.916  10.903  -1.299
  321   1HG   LYS  40           HG2      LYS  40 -11.002   8.784   0.021
  322   2HG   LYS  40           HG1      LYS  40 -11.434   9.754   1.434
  323   1HD   LYS  40           HD2      LYS  40 -13.397  10.609   0.242
  324   2HD   LYS  40           HD1      LYS  40 -12.962   9.646  -1.169
  325   1HE   LYS  40           HE2      LYS  40 -14.694   8.497   0.031
  326   2HE   LYS  40           HE1      LYS  40 -13.190   7.602   0.227
  327   1HZ   LYS  40           HZ1      LYS  40 -14.050   9.580   2.248
  328   2HZ   LYS  40           HZ3      LYS  40 -14.640   7.990   2.271
  329   3HZ   LYS  40           HZ2      LYS  40 -12.975   8.280   2.426
  330    H    ILE  41           HN       ILE  41  -7.214   9.566   0.841
  331    HA   ILE  41           HA       ILE  41  -6.835   8.032  -1.552
  332    HB   ILE  41           HB       ILE  41  -4.856   8.663  -0.339
  333   1HG1  ILE  41          2HG1      ILE  41  -5.320   5.695   0.003
  334   2HG1  ILE  41          1HG1      ILE  41  -4.805   6.483  -1.486
  335   1HG2  ILE  41          3HG2      ILE  41  -5.874   8.824   1.913
  336   2HG2  ILE  41          2HG2      ILE  41  -5.906   7.060   2.003
  337   3HG2  ILE  41          1HG2      ILE  41  -4.362   7.912   1.927
  338   1HD1  ILE  41          2HD1      ILE  41  -3.267   6.474   1.104
  339   2HD1  ILE  41          1HD1      ILE  41  -2.938   5.449  -0.295
  340   3HD1  ILE  41          3HD1      ILE  41  -2.750   7.201  -0.419
  341    H    MET  42           HN       MET  42  -8.196   6.502  -2.026
  342    HA   MET  42           HA       MET  42  -9.264   4.854   0.146
  343   1HB   MET  42           HB2      MET  42 -11.192   4.412  -1.279
  344   2HB   MET  42           HB1      MET  42 -10.988   6.143  -1.050
  345   1HG   MET  42           HG2      MET  42 -10.079   6.396  -3.239
  346   2HG   MET  42           HG1      MET  42 -10.020   4.648  -3.484
  347   1HE   MET  42           HE2      MET  42 -12.808   6.992  -1.923
  348   2HE   MET  42           HE1      MET  42 -12.217   7.862  -3.339
  349   3HE   MET  42           HE3      MET  42 -13.855   7.212  -3.326
  350    H    VAL  43           HN       VAL  43  -8.863   2.744   0.081
  351    HA   VAL  43           HA       VAL  43  -7.179   1.691  -1.947
  352    HB   VAL  43           HB       VAL  43  -7.681  -0.536  -0.848
  353   1HG1  VAL  43          1HG1      VAL  43  -6.589   1.713   0.852
  354   2HG1  VAL  43          3HG1      VAL  43  -6.331  -0.009   1.151
  355   3HG1  VAL  43          2HG1      VAL  43  -5.688   0.737  -0.311
  356   1HG2  VAL  43          3HG2      VAL  43  -9.880   0.159   0.109
  357   2HG2  VAL  43          2HG2      VAL  43  -8.787  -0.578   1.280
  358   3HG2  VAL  43          1HG2      VAL  43  -9.007   1.170   1.258
  359    H    ARG  44           HN       ARG  44  -7.700   0.644  -3.731
  360    HA   ARG  44           HA       ARG  44 -10.528   0.020  -4.216
  361   1HB   ARG  44           HB2      ARG  44  -8.548   1.290  -6.114
  362   2HB   ARG  44           HB1      ARG  44 -10.018   0.509  -6.673
  363   1HG   ARG  44           HG2      ARG  44 -11.196   2.144  -5.016
  364   2HG   ARG  44           HG1      ARG  44  -9.687   3.044  -5.132
  365   1HD   ARG  44           HD2      ARG  44 -10.067   3.688  -7.255
  366   2HD   ARG  44           HD1      ARG  44 -10.796   2.151  -7.707
  367    HE   ARG  44           HE       ARG  44 -12.890   2.944  -6.917
  368   1HH1  ARG  44          1HH1      ARG  44 -10.378   5.382  -6.875
  369   2HH1  ARG  44          2HH1      ARG  44 -11.493   6.708  -6.892
  370   1HH2  ARG  44          1HH2      ARG  44 -14.357   4.674  -6.946
  371   2HH2  ARG  44          2HH2      ARG  44 -13.766   6.312  -6.894
  372    H    GLY  45           HN       GLY  45 -10.905  -1.940  -5.264
  373   1HA   GLY  45           HA1      GLY  45  -8.513  -3.664  -5.251
  374   2HA   GLY  45           HA2      GLY  45  -9.932  -3.958  -6.246
  375    H    LYS  46           HN       LYS  46  -8.913  -5.834  -4.567
  376    HA   LYS  46           HA       LYS  46 -11.263  -6.703  -3.330
  377   1HB   LYS  46           HB2      LYS  46  -8.986  -7.868  -4.199
  378   2HB   LYS  46           HB1      LYS  46  -8.717  -7.908  -2.462
  379   1HG   LYS  46           HG2      LYS  46  -9.733  -9.947  -3.075
  380   2HG   LYS  46           HG1      LYS  46 -10.952  -8.981  -2.227
  381   1HD   LYS  46           HD2      LYS  46 -11.734 -10.151  -4.335
  382   2HD   LYS  46           HD1      LYS  46 -12.046  -8.415  -4.250
  383   1HE   LYS  46           HE2      LYS  46 -10.130  -7.957  -5.660
  384   2HE   LYS  46           HE1      LYS  46  -9.689  -9.669  -5.665
  385   1HZ   LYS  46           HZ1      LYS  46 -11.771 -10.161  -6.803
  386   2HZ   LYS  46           HZ3      LYS  46 -12.173  -8.513  -6.817
  387   3HZ   LYS  46           HZ2      LYS  46 -10.830  -9.067  -7.695
  388    H    GLY  47           HN       GLY  47 -12.003  -5.384  -1.565
  389   1HA   GLY  47           HA1      GLY  47 -10.382  -6.132   0.781
  390   2HA   GLY  47           HA2      GLY  47 -12.134  -6.196   0.755
  391    H    SER  48           HN       SER  48 -11.928  -3.464  -0.710
  392    HA   SER  48           HA       SER  48 -10.703  -1.650   1.070
  393   1HB   SER  48           HB2      SER  48 -13.047  -0.889  -0.623
  394   2HB   SER  48           HB1      SER  48 -11.550  -0.007  -0.322
  395    HG   SER  48           HG       SER  48 -10.565  -1.914  -1.487
  396    H    MET  49           HN       MET  49 -14.145  -2.301   0.509
  397    HA   MET  49           HA       MET  49 -14.770  -1.451   3.247
  398   1HB   MET  49           HB2      MET  49 -16.327  -0.894   0.720
  399   2HB   MET  49           HB1      MET  49 -16.913  -0.560   2.343
  400   1HG   MET  49           HG2      MET  49 -15.184   1.060   2.693
  401   2HG   MET  49           HG1      MET  49 -14.419   0.639   1.163
  402   1HE   MET  49           HE1      MET  49 -14.369   3.238   0.526
  403   2HE   MET  49           HE3      MET  49 -15.801   4.268   0.526
  404   3HE   MET  49           HE2      MET  49 -15.165   3.644   2.048
  405    H    ARG  50           HN       ARG  50 -14.167  -4.009   2.449
  406    HA   ARG  50           HA       ARG  50 -16.235  -5.622   1.463
  407   1HB   ARG  50           HB2      ARG  50 -13.758  -6.070   1.461
  408   2HB   ARG  50           HB1      ARG  50 -13.890  -6.476   3.163
  409   1HG   ARG  50           HG2      ARG  50 -13.836  -8.471   1.784
  410   2HG   ARG  50           HG1      ARG  50 -15.384  -8.321   2.614
  411   1HD   ARG  50           HD2      ARG  50 -16.454  -7.560   0.621
  412   2HD   ARG  50           HD1      ARG  50 -14.923  -7.426  -0.223
  413    HE   ARG  50           HE       ARG  50 -14.858  -9.978   0.229
  414   1HH1  ARG  50          1HH1      ARG  50 -17.708  -8.097  -0.507
  415   2HH1  ARG  50          2HH1      ARG  50 -18.549  -9.407  -1.272
  416   1HH2  ARG  50          1HH2      ARG  50 -15.951 -11.721  -0.779
  417   2HH2  ARG  50          2HH2      ARG  50 -17.533 -11.476  -1.436
  418    H    ASP  51           HN       ASP  51 -16.951  -4.006   3.916
  419    HA   ASP  51           HA       ASP  51 -17.496  -5.783   6.055
  420   1HB   ASP  51           HB2      ASP  51 -18.277  -3.057   5.254
  421   2HB   ASP  51           HB1      ASP  51 -19.484  -3.911   6.215
  422    H    LYS  52           HN       LYS  52 -19.166  -7.164   6.379
  423    HA   LYS  52           HA       LYS  52 -20.632  -8.041   4.115
  424   1HB   LYS  52           HB2      LYS  52 -21.055  -8.727   7.030
  425   2HB   LYS  52           HB1      LYS  52 -21.702  -9.616   5.654
  426   1HG   LYS  52           HG2      LYS  52 -19.349 -10.009   4.910
  427   2HG   LYS  52           HG1      LYS  52 -18.816  -9.307   6.438
  428   1HD   LYS  52           HD2      LYS  52 -19.981 -11.041   7.670
  429   2HD   LYS  52           HD1      LYS  52 -20.609 -11.716   6.163
  430   1HE   LYS  52           HE2      LYS  52 -17.720 -11.556   7.010
  431   2HE   LYS  52           HE1      LYS  52 -18.707 -13.013   6.893
  432   1HZ   LYS  52           HZ2      LYS  52 -18.918 -12.585   4.497
  433   2HZ   LYS  52           HZ1      LYS  52 -17.875 -11.262   4.642
  434   3HZ   LYS  52           HZ3      LYS  52 -17.305 -12.827   4.965
  435    H    LYS  53           HN       LYS  53 -21.391  -6.007   6.866
  436    HA   LYS  53           HA       LYS  53 -24.150  -5.734   6.373
  437   1HB   LYS  53           HB2      LYS  53 -24.029  -3.715   7.736
  438   2HB   LYS  53           HB1      LYS  53 -23.077  -4.993   8.475
  439   1HG   LYS  53           HG2      LYS  53 -21.033  -3.985   7.570
  440   2HG   LYS  53           HG1      LYS  53 -21.998  -2.692   6.856
  441   1HD   LYS  53           HD2      LYS  53 -22.795  -2.119   9.146
  442   2HD   LYS  53           HD1      LYS  53 -21.665  -3.314   9.787
  443   1HE   LYS  53           HE2      LYS  53 -19.816  -2.073   8.683
  444   2HE   LYS  53           HE1      LYS  53 -20.980  -0.844   8.196
  445   1HZ   LYS  53           HZ1      LYS  53 -21.468  -0.471  10.558
  446   2HZ   LYS  53           HZ3      LYS  53 -20.265  -1.595  10.975
  447   3HZ   LYS  53           HZ2      LYS  53 -19.842  -0.159  10.178
  448    H    LYS  54           HN       LYS  54 -21.302  -4.321   4.970
  449    HA   LYS  54           HA       LYS  54 -22.628  -2.228   3.564
  450   1HB   LYS  54           HB2      LYS  54 -19.932  -3.126   3.949
  451   2HB   LYS  54           HB1      LYS  54 -20.209  -2.901   2.228
  452   1HG   LYS  54           HG2      LYS  54 -20.835  -0.629   2.559
  453   2HG   LYS  54           HG1      LYS  54 -20.860  -0.832   4.312
  454   1HD   LYS  54           HD2      LYS  54 -18.476  -1.237   4.324
  455   2HD   LYS  54           HD1      LYS  54 -18.426  -1.119   2.565
  456   1HE   LYS  54           HE2      LYS  54 -17.660   0.953   3.543
  457   2HE   LYS  54           HE1      LYS  54 -19.196   1.215   2.721
  458   1HZ   LYS  54           HZ3      LYS  54 -18.872   0.829   5.651
  459   2HZ   LYS  54           HZ2      LYS  54 -19.099   2.322   4.877
  460   3HZ   LYS  54           HZ1      LYS  54 -20.323   1.155   4.836
  461    H    GLU  55           HN       GLU  55 -21.914  -5.573   2.937
  462    HA   GLU  55           HA       GLU  55 -22.537  -5.513   0.155
  463   1HB   GLU  55           HB2      GLU  55 -22.782  -7.915   1.968
  464   2HB   GLU  55           HB1      GLU  55 -22.442  -7.890   0.243
  465   1HG   GLU  55           HG2      GLU  55 -20.286  -6.904   0.658
  466   2HG   GLU  55           HG1      GLU  55 -20.620  -6.868   2.397
  467    H    GLU  56           HN       GLU  56 -24.384  -5.614   3.041
  468    HA   GLU  56           HA       GLU  56 -26.781  -6.587   1.750
  469   1HB   GLU  56           HB2      GLU  56 -26.406  -5.369   4.491
  470   2HB   GLU  56           HB1      GLU  56 -27.861  -6.171   3.915
  471   1HG   GLU  56           HG2      GLU  56 -26.595  -8.255   3.660
  472   2HG   GLU  56           HG1      GLU  56 -25.163  -7.445   4.291
  473    H    GLN  57           HN       GLN  57 -25.743  -3.464   3.134
  474    HA   GLN  57           HA       GLN  57 -28.145  -2.272   1.956
  475   1HB   GLN  57           HB2      GLN  57 -27.625  -0.388   3.623
  476   2HB   GLN  57           HB1      GLN  57 -28.220  -1.921   4.242
  477   1HG   GLN  57           HG2      GLN  57 -26.521  -1.323   5.705
  478   2HG   GLN  57           HG1      GLN  57 -25.793  -2.527   4.650
  479   1HE2  GLN  57          1HE2      GLN  57 -23.703  -1.950   4.746
  480   2HE2  GLN  57          2HE2      GLN  57 -23.099  -0.385   4.284
  481    H    ASN  58           HN       ASN  58 -24.658  -1.982   1.940
  482    HA   ASN  58           HA       ASN  58 -24.867   0.436   0.271
  483   1HB   ASN  58           HB2      ASN  58 -23.329   0.289   2.363
  484   2HB   ASN  58           HB1      ASN  58 -22.289  -0.699   1.343
  485   1HD2  ASN  58          1HD2      ASN  58 -20.601   0.671   1.167
  486   2HD2  ASN  58          2HD2      ASN  58 -20.680   2.228   0.412
  487    H    ARG  59           HN       ARG  59 -25.052  -2.639  -0.177
  488    HA   ARG  59           HA       ARG  59 -23.148  -3.540  -1.906
  489   1HB   ARG  59           HB2      ARG  59 -24.841  -5.035  -2.820
  490   2HB   ARG  59           HB1      ARG  59 -24.971  -4.925  -1.072
  491   1HG   ARG  59           HG2      ARG  59 -26.863  -3.394  -1.309
  492   2HG   ARG  59           HG1      ARG  59 -26.730  -3.510  -3.066
  493   1HD   ARG  59           HD2      ARG  59 -27.478  -5.667  -1.107
  494   2HD   ARG  59           HD1      ARG  59 -28.443  -5.016  -2.433
  495    HE   ARG  59           HE       ARG  59 -26.253  -6.938  -2.627
  496   1HH1  ARG  59          1HH1      ARG  59 -28.664  -4.973  -4.252
  497   2HH1  ARG  59          2HH1      ARG  59 -28.443  -5.761  -5.791
  498   1HH2  ARG  59          1HH2      ARG  59 -25.962  -7.959  -4.631
  499   2HH2  ARG  59          2HH2      ARG  59 -26.893  -7.451  -6.004
  500    H    GLY  60           HN       GLY  60 -22.748  -3.451  -4.043
  501   1HA   GLY  60           HA1      GLY  60 -24.426  -1.912  -5.845
  502   2HA   GLY  60           HA2      GLY  60 -22.944  -2.763  -6.264
  503    H    LYS  61           HN       LYS  61 -22.378  -0.844  -3.579
  504    HA   LYS  61           HA       LYS  61 -21.915   1.601  -5.049
  505   1HB   LYS  61           HB2      LYS  61 -21.823   0.865  -2.158
  506   2HB   LYS  61           HB1      LYS  61 -21.010   2.327  -2.700
  507   1HG   LYS  61           HG2      LYS  61 -23.234   2.857  -1.913
  508   2HG   LYS  61           HG1      LYS  61 -23.127   3.138  -3.651
  509   1HD   LYS  61           HD2      LYS  61 -24.190   0.969  -4.057
  510   2HD   LYS  61           HD1      LYS  61 -24.321   0.715  -2.315
  511   1HE   LYS  61           HE2      LYS  61 -26.439   1.486  -3.042
  512   2HE   LYS  61           HE1      LYS  61 -25.668   2.846  -2.227
  513   1HZ   LYS  61           HZ1      LYS  61 -25.752   2.428  -5.167
  514   2HZ   LYS  61           HZ3      LYS  61 -26.739   3.503  -4.302
  515   3HZ   LYS  61           HZ2      LYS  61 -25.064   3.758  -4.373
  516    HA   PRO  62           HA       PRO  62 -17.607   2.106  -5.997
  517   1HB   PRO  62           HB2      PRO  62 -17.342   3.160  -3.190
  518   2HB   PRO  62           HB1      PRO  62 -16.547   3.710  -4.671
  519   1HG   PRO  62           HG2      PRO  62 -18.791   4.880  -3.715
  520   2HG   PRO  62           HG1      PRO  62 -18.431   4.782  -5.446
  521   1HD   PRO  62           HD2      PRO  62 -20.547   3.466  -3.952
  522   2HD   PRO  62           HD1      PRO  62 -20.288   3.512  -5.707
  523    H    ASN  63           HN       ASN  63 -18.232   0.632  -2.850
  524    HA   ASN  63           HA       ASN  63 -15.616  -0.446  -2.487
  525   1HB   ASN  63           HB2      ASN  63 -17.288  -2.166  -1.100
  526   2HB   ASN  63           HB1      ASN  63 -16.519  -0.721  -0.460
  527   1HD2  ASN  63          1HD2      ASN  63 -18.107   1.251  -1.602
  528   2HD2  ASN  63          2HD2      ASN  63 -19.714   1.118  -0.980
  529    H    TRP  64           HN       TRP  64 -18.589  -1.596  -3.869
  530    HA   TRP  64           HA       TRP  64 -17.386  -4.109  -4.611
  531   1HB   TRP  64           HB2      TRP  64 -20.170  -3.187  -5.265
  532   2HB   TRP  64           HB1      TRP  64 -19.581  -4.845  -5.073
  533    HD1  TRP  64           HD1      TRP  64 -21.583  -2.479  -3.287
  534    HE1  TRP  64           HE1      TRP  64 -21.562  -2.855  -0.758
  535    HE3  TRP  64           HE3      TRP  64 -17.568  -5.595  -3.006
  536    HZ2  TRP  64           HZ2      TRP  64 -20.006  -4.316   1.135
  537    HZ3  TRP  64           HZ3      TRP  64 -16.864  -6.428  -0.807
  538    HH2  TRP  64           HH2      TRP  64 -18.062  -5.798   1.222
  539    H    GLU  65           HN       GLU  65 -18.103  -1.013  -5.841
  540    HA   GLU  65           HA       GLU  65 -18.023  -1.318  -8.584
  541   1HB   GLU  65           HB2      GLU  65 -18.268   0.896  -8.052
  542   2HB   GLU  65           HB1      GLU  65 -17.214   0.780  -6.654
  543   1HG   GLU  65           HG2      GLU  65 -15.378   0.514  -8.580
  544   2HG   GLU  65           HG1      GLU  65 -16.569   1.456  -9.467
  545    H    HIS  66           HN       HIS  66 -15.305  -0.889  -6.369
  546    HA   HIS  66           HA       HIS  66 -13.477  -1.666  -8.501
  547   1HB   HIS  66           HB2      HIS  66 -11.700  -0.781  -6.983
  548   2HB   HIS  66           HB1      HIS  66 -12.890   0.406  -7.497
  549    HD1  HIS  66           HD1      HIS  66 -13.575   1.900  -5.666
  550    HD2  HIS  66           HD2      HIS  66 -12.601  -1.890  -4.286
  551    HE1  HIS  66           HE1      HIS  66 -13.644   2.060  -3.156
  552    HE2  HIS  66           HE2      HIS  66 -12.788  -0.173  -2.366
  553    H    LEU  67           HN       LEU  67 -15.099  -3.267  -6.180
  554    HA   LEU  67           HA       LEU  67 -13.127  -4.888  -4.967
  555   1HB   LEU  67           HB2      LEU  67 -15.495  -4.765  -4.219
  556   2HB   LEU  67           HB1      LEU  67 -15.974  -5.628  -5.666
  557    HG   LEU  67           HG       LEU  67 -14.452  -7.514  -4.869
  558   1HD1  LEU  67          1HD1      LEU  67 -13.182  -6.245  -3.227
  559   2HD1  LEU  67          3HD1      LEU  67 -14.650  -5.969  -2.290
  560   3HD1  LEU  67          2HD1      LEU  67 -14.014  -7.604  -2.470
  561   1HD2  LEU  67          1HD2      LEU  67 -16.912  -6.777  -3.298
  562   2HD2  LEU  67          3HD2      LEU  67 -16.849  -7.714  -4.791
  563   3HD2  LEU  67          2HD2      LEU  67 -16.160  -8.371  -3.306
  564    H    ASN  68           HN       ASN  68 -14.143  -4.657  -8.136
  565    HA   ASN  68           HA       ASN  68 -13.759  -7.444  -8.848
  566   1HB   ASN  68           HB2      ASN  68 -14.297  -5.077 -10.663
  567   2HB   ASN  68           HB1      ASN  68 -14.480  -6.786 -11.067
  568   1HD2  ASN  68          1HD2      ASN  68 -15.823  -4.073  -9.375
  569   2HD2  ASN  68          2HD2      ASN  68 -17.351  -4.783  -8.983
  570    H    GLU  69           HN       GLU  69 -11.847  -4.818  -8.322
  571    HA   GLU  69           HA       GLU  69  -9.828  -5.534 -10.327
  572   1HB   GLU  69           HB2      GLU  69  -9.795  -3.226  -8.368
  573   2HB   GLU  69           HB1      GLU  69  -8.773  -3.436  -9.784
  574   1HG   GLU  69           HG2      GLU  69 -11.754  -3.070  -9.901
  575   2HG   GLU  69           HG1      GLU  69 -10.590  -1.754 -10.036
  576    H    ASP  70           HN       ASP  70  -7.555  -5.689  -9.527
  577    HA   ASP  70           HA       ASP  70  -7.391  -7.185  -7.079
  578   1HB   ASP  70           HB2      ASP  70  -5.918  -7.724  -9.009
  579   2HB   ASP  70           HB1      ASP  70  -5.120  -6.168  -8.801
  580    H    LEU  71           HN       LEU  71  -6.317  -6.585  -5.212
  581    HA   LEU  71           HA       LEU  71  -7.117  -4.100  -4.263
  582   1HB   LEU  71           HB2      LEU  71  -6.693  -6.064  -2.858
  583   2HB   LEU  71           HB1      LEU  71  -4.971  -5.899  -3.147
  584    HG   LEU  71           HG       LEU  71  -4.895  -3.817  -1.943
  585   1HD1  LEU  71          2HD1      LEU  71  -7.891  -4.095  -1.807
  586   2HD1  LEU  71          1HD1      LEU  71  -6.953  -2.932  -0.859
  587   3HD1  LEU  71          3HD1      LEU  71  -6.957  -2.831  -2.621
  588   1HD2  LEU  71          3HD2      LEU  71  -6.529  -5.855  -0.435
  589   2HD2  LEU  71          2HD2      LEU  71  -4.774  -5.854  -0.607
  590   3HD2  LEU  71          1HD2      LEU  71  -5.571  -4.559   0.284
  591    H    HIS  72           HN       HIS  72  -6.338  -2.153  -4.538
  592    HA   HIS  72           HA       HIS  72  -3.476  -1.741  -4.414
  593   1HB   HIS  72           HB2      HIS  72  -3.490  -0.200  -6.342
  594   2HB   HIS  72           HB1      HIS  72  -3.817  -1.865  -6.792
  595    HD1  HIS  72           HD1      HIS  72  -6.020  -2.409  -7.878
  596    HD2  HIS  72           HD2      HIS  72  -5.784   1.556  -6.620
  597    HE1  HIS  72           HE1      HIS  72  -7.929  -1.227  -9.002
  598    HE2  HIS  72           HE2      HIS  72  -7.648   1.201  -8.397
  599    H    VAL  73           HN       VAL  73  -2.987   0.638  -4.203
  600    HA   VAL  73           HA       VAL  73  -5.106   1.847  -2.559
  601    HB   VAL  73           HB       VAL  73  -3.344   3.230  -1.522
  602   1HG1  VAL  73          1HG1      VAL  73  -2.814   0.263  -1.419
  603   2HG1  VAL  73          3HG1      VAL  73  -2.258   1.440  -0.230
  604   3HG1  VAL  73          2HG1      VAL  73  -3.985   1.153  -0.447
  605   1HG2  VAL  73          1HG2      VAL  73  -1.428   1.568  -3.155
  606   2HG2  VAL  73          3HG2      VAL  73  -1.742   3.291  -3.355
  607   3HG2  VAL  73          2HG2      VAL  73  -0.978   2.699  -1.879
  608    H    LEU  74           HN       LEU  74  -5.821   3.906  -3.020
  609    HA   LEU  74           HA       LEU  74  -4.663   5.163  -5.399
  610   1HB   LEU  74           HB2      LEU  74  -6.589   3.747  -6.057
  611   2HB   LEU  74           HB1      LEU  74  -7.613   4.666  -4.982
  612    HG   LEU  74           HG       LEU  74  -6.139   6.117  -7.139
  613   1HD1  LEU  74          3HD1      LEU  74  -7.121   4.185  -8.265
  614   2HD1  LEU  74          2HD1      LEU  74  -8.684   4.560  -7.541
  615   3HD1  LEU  74          1HD1      LEU  74  -7.959   5.677  -8.693
  616   1HD2  LEU  74          1HD2      LEU  74  -7.438   7.348  -5.461
  617   2HD2  LEU  74          3HD2      LEU  74  -8.121   7.521  -7.077
  618   3HD2  LEU  74          2HD2      LEU  74  -8.877   6.432  -5.913
  619    H    ILE  75           HN       ILE  75  -4.104   7.068  -4.938
  620    HA   ILE  75           HA       ILE  75  -5.509   8.613  -2.946
  621    HB   ILE  75           HB       ILE  75  -3.881  10.431  -4.002
  622   1HG1  ILE  75          2HG1      ILE  75  -2.501   7.836  -4.679
  623   2HG1  ILE  75          1HG1      ILE  75  -3.191   8.951  -5.853
  624   1HG2  ILE  75          1HG2      ILE  75  -3.851   9.559  -1.694
  625   2HG2  ILE  75          3HG2      ILE  75  -2.809   8.244  -2.245
  626   3HG2  ILE  75          2HG2      ILE  75  -2.248   9.918  -2.336
  627   1HD1  ILE  75          1HD1      ILE  75  -1.610  10.672  -5.127
  628   2HD1  ILE  75          3HD1      ILE  75  -0.905   9.523  -3.988
  629   3HD1  ILE  75          2HD1      ILE  75  -0.802   9.221  -5.722
  630    H    THR  76           HN       THR  76  -7.427   9.289  -3.507
  631    HA   THR  76           HA       THR  76  -7.948  10.297  -6.212
  632    HB   THR  76           HB       THR  76 -10.209  10.505  -4.446
  633    HG1  THR  76           HG1      THR  76  -9.456   8.834  -3.204
  634   1HG2  THR  76          3HG2      THR  76 -10.325  10.319  -6.866
  635   2HG2  THR  76          2HG2      THR  76  -9.638   8.697  -6.784
  636   3HG2  THR  76          1HG2      THR  76 -11.230   9.020  -6.094
  637    H    VAL  77           HN       VAL  77  -7.347  12.354  -6.409
  638    HA   VAL  77           HA       VAL  77  -8.014  14.205  -4.226
  639    HB   VAL  77           HB       VAL  77  -5.622  14.008  -4.396
  640   1HG1  VAL  77          1HG1      VAL  77  -5.920  14.700  -7.316
  641   2HG1  VAL  77          3HG1      VAL  77  -4.395  14.549  -6.443
  642   3HG1  VAL  77          2HG1      VAL  77  -5.432  13.140  -6.653
  643   1HG2  VAL  77          1HG2      VAL  77  -6.578  16.576  -5.651
  644   2HG2  VAL  77          3HG2      VAL  77  -6.478  16.219  -3.925
  645   3HG2  VAL  77          2HG2      VAL  77  -5.005  16.322  -4.890
  646    H    GLU  78           HN       GLU  78  -9.444  15.705  -4.688
  647    HA   GLU  78           HA       GLU  78 -10.066  16.257  -7.479
  648   1HB   GLU  78           HB2      GLU  78 -11.459  17.095  -4.926
  649   2HB   GLU  78           HB1      GLU  78 -12.032  17.451  -6.554
  650   1HG   GLU  78           HG2      GLU  78 -12.318  15.115  -7.021
  651   2HG   GLU  78           HG1      GLU  78 -11.592  14.673  -5.482
  652    H    ASP  79           HN       ASP  79  -8.441  17.509  -8.197
  653    HA   ASP  79           HA       ASP  79  -8.419  20.285  -7.600
  654   1HB   ASP  79           HB2      ASP  79  -7.104  19.521  -5.642
  655   2HB   ASP  79           HB1      ASP  79  -6.001  18.670  -6.714
  656    H    ALA  80           HN       ALA  80  -6.670  21.366  -8.949
  657    HA   ALA  80           HA       ALA  80  -6.555  20.410 -11.557
  658   1HB   ALA  80           HB2      ALA  80  -6.126  22.745 -10.962
  659   2HB   ALA  80           HB3      ALA  80  -4.817  22.079 -11.939
  660   3HB   ALA  80           HB1      ALA  80  -4.608  22.273 -10.197
  661    H    GLN  81           HN       GLN  81  -3.883  20.441  -9.163
  662    HA   GLN  81           HA       GLN  81  -3.076  17.832  -9.418
  663   1HB   GLN  81           HB2      GLN  81  -2.699  18.440 -11.835
  664   2HB   GLN  81           HB1      GLN  81  -1.426  19.526 -11.296
  665   1HG   GLN  81           HG2      GLN  81  -0.276  17.583 -10.273
  666   2HG   GLN  81           HG1      GLN  81  -1.509  16.535 -10.970
  667   1HE2  GLN  81          1HE2      GLN  81   1.269  18.501 -11.593
  668   2HE2  GLN  81          2HE2      GLN  81   1.505  18.005 -13.231
  669    H    ASN  82           HN       ASN  82  -1.104  20.778  -9.819
  670    HA   ASN  82           HA       ASN  82   1.156  19.691  -8.787
  671   1HB   ASN  82           HB2      ASN  82   1.121  21.762 -10.045
  672   2HB   ASN  82           HB1      ASN  82   0.351  22.594  -8.697
  673   1HD2  ASN  82          1HD2      ASN  82   3.288  21.137  -9.867
  674   2HD2  ASN  82          2HD2      ASN  82   4.345  21.855  -8.697
  675    H    ARG  83           HN       ARG  83  -0.868  21.953  -6.844
  676    HA   ARG  83           HA       ARG  83   0.904  21.670  -4.630
  677   1HB   ARG  83           HB2      ARG  83  -0.773  22.976  -3.360
  678   2HB   ARG  83           HB1      ARG  83  -0.334  23.727  -4.886
  679   1HG   ARG  83           HG2      ARG  83  -2.395  23.018  -5.894
  680   2HG   ARG  83           HG1      ARG  83  -2.821  22.085  -4.459
  681   1HD   ARG  83           HD2      ARG  83  -4.021  24.209  -4.532
  682   2HD   ARG  83           HD1      ARG  83  -2.933  24.136  -3.146
  683    HE   ARG  83           HE       ARG  83  -1.649  25.360  -5.363
  684   1HH1  ARG  83          1HH1      ARG  83  -4.094  25.975  -2.925
  685   2HH1  ARG  83          2HH1      ARG  83  -3.807  27.693  -2.888
  686   1HH2  ARG  83          1HH2      ARG  83  -1.272  27.608  -5.315
  687   2HH2  ARG  83          2HH2      ARG  83  -2.200  28.622  -4.255
  688    H    ALA  84           HN       ALA  84  -2.359  20.455  -5.260
  689    HA   ALA  84           HA       ALA  84  -2.646  19.199  -2.765
  690   1HB   ALA  84           HB1      ALA  84  -4.057  18.531  -5.341
  691   2HB   ALA  84           HB3      ALA  84  -4.583  18.118  -3.709
  692   3HB   ALA  84           HB2      ALA  84  -4.540  19.805  -4.220
  693    H    GLU  85           HN       GLU  85  -1.840  17.876  -5.986
  694    HA   GLU  85           HA       GLU  85  -1.767  15.208  -5.140
  695   1HB   GLU  85           HB2      GLU  85  -0.795  14.653  -7.215
  696   2HB   GLU  85           HB1      GLU  85  -1.818  16.039  -7.545
  697   1HG   GLU  85           HG2      GLU  85  -0.076  16.955  -8.560
  698   2HG   GLU  85           HG1      GLU  85   0.655  17.152  -6.969
  699    H    LEU  86           HN       LEU  86   0.647  17.731  -5.104
  700    HA   LEU  86           HA       LEU  86   2.925  16.200  -4.598
  701   1HB   LEU  86           HB2      LEU  86   2.914  18.621  -5.129
  702   2HB   LEU  86           HB1      LEU  86   2.251  18.946  -3.541
  703    HG   LEU  86           HG       LEU  86   4.306  17.979  -2.525
  704   1HD1  LEU  86          3HD1      LEU  86   4.974  16.541  -4.371
  705   2HD1  LEU  86          2HD1      LEU  86   5.304  17.958  -5.367
  706   3HD1  LEU  86          1HD1      LEU  86   6.272  17.650  -3.926
  707   1HD2  LEU  86          3HD2      LEU  86   4.065  20.384  -2.805
  708   2HD2  LEU  86          2HD2      LEU  86   5.742  19.890  -3.030
  709   3HD2  LEU  86          1HD2      LEU  86   4.742  20.275  -4.430
  710    H    LYS  87           HN       LYS  87   0.430  17.464  -2.444
  711    HA   LYS  87           HA       LYS  87   1.832  16.718  -0.057
  712   1HB   LYS  87           HB2      LYS  87   0.057  18.526  -0.278
  713   2HB   LYS  87           HB1      LYS  87  -1.114  17.235  -0.308
  714   1HG   LYS  87           HG2      LYS  87  -0.735  18.361   1.914
  715   2HG   LYS  87           HG1      LYS  87  -0.671  16.593   1.892
  716   1HD   LYS  87           HD2      LYS  87   1.736  16.670   1.752
  717   2HD   LYS  87           HD1      LYS  87   1.697  18.428   1.731
  718   1HE   LYS  87           HE2      LYS  87   0.670  16.723   3.996
  719   2HE   LYS  87           HE1      LYS  87   2.276  17.450   3.951
  720   1HZ   LYS  87           HZ1      LYS  87   1.033  19.633   3.629
  721   2HZ   LYS  87           HZ3      LYS  87  -0.349  18.802   4.162
  722   3HZ   LYS  87           HZ2      LYS  87   1.005  18.937   5.171
  723    H    LEU  88           HN       LEU  88  -0.837  15.244  -1.893
  724    HA   LEU  88           HA       LEU  88  -1.098  13.051  -0.077
  725   1HB   LEU  88           HB2      LEU  88  -2.402  12.019  -2.033
  726   2HB   LEU  88           HB1      LEU  88  -3.041  13.429  -1.207
  727    HG   LEU  88           HG       LEU  88  -1.419  14.235  -3.451
  728   1HD1  LEU  88          2HD1      LEU  88  -2.081  12.070  -4.366
  729   2HD1  LEU  88          1HD1      LEU  88  -3.773  12.451  -4.032
  730   3HD1  LEU  88          3HD1      LEU  88  -2.867  13.405  -5.209
  731   1HD2  LEU  88          3HD2      LEU  88  -4.337  14.542  -2.779
  732   2HD2  LEU  88          2HD2      LEU  88  -3.040  15.635  -2.298
  733   3HD2  LEU  88          1HD2      LEU  88  -3.458  15.458  -4.002
  734    H    LYS  89           HN       LYS  89   0.776  13.556  -3.012
  735    HA   LYS  89           HA       LYS  89   1.348  10.799  -3.404
  736   1HB   LYS  89           HB2      LYS  89   3.056  11.535  -4.980
  737   2HB   LYS  89           HB1      LYS  89   1.554  12.409  -5.233
  738   1HG   LYS  89           HG2      LYS  89   2.803  14.244  -5.237
  739   2HG   LYS  89           HG1      LYS  89   2.909  14.034  -3.491
  740   1HD   LYS  89           HD2      LYS  89   5.112  14.338  -4.310
  741   2HD   LYS  89           HD1      LYS  89   4.941  12.636  -3.875
  742   1HE   LYS  89           HE2      LYS  89   6.090  12.855  -6.009
  743   2HE   LYS  89           HE1      LYS  89   4.519  12.082  -6.218
  744   1HZ   LYS  89           HZ3      LYS  89   3.633  14.302  -6.875
  745   2HZ   LYS  89           HZ2      LYS  89   5.222  14.900  -6.845
  746   3HZ   LYS  89           HZ1      LYS  89   4.800  13.682  -7.939
  747    H    ARG  90           HN       ARG  90   2.966  13.369  -1.599
  748    HA   ARG  90           HA       ARG  90   5.220  11.751  -0.962
  749   1HB   ARG  90           HB2      ARG  90   5.792  13.441   0.696
  750   2HB   ARG  90           HB1      ARG  90   5.358  14.190  -0.829
  751   1HG   ARG  90           HG2      ARG  90   4.206  15.562   0.533
  752   2HG   ARG  90           HG1      ARG  90   2.982  14.298   0.389
  753   1HD   ARG  90           HD2      ARG  90   3.296  14.959   2.719
  754   2HD   ARG  90           HD1      ARG  90   3.779  13.285   2.460
  755    HE   ARG  90           HE       ARG  90   6.123  14.451   2.212
  756   1HH1  ARG  90          1HH1      ARG  90   3.615  15.114   4.577
  757   2HH1  ARG  90          2HH1      ARG  90   4.737  15.665   5.784
  758   1HH2  ARG  90          1HH2      ARG  90   7.576  15.137   3.793
  759   2HH2  ARG  90          2HH2      ARG  90   6.991  15.656   5.343
  760    H    ALA  91           HN       ALA  91   2.106  12.331   0.544
  761    HA   ALA  91           HA       ALA  91   2.579  10.830   2.908
  762   1HB   ALA  91           HB3      ALA  91  -0.059  11.339   1.537
  763   2HB   ALA  91           HB2      ALA  91   0.198  10.926   3.233
  764   3HB   ALA  91           HB1      ALA  91   0.745  12.485   2.613
  765    H    VAL  92           HN       VAL  92   1.078  10.051  -0.201
  766    HA   VAL  92           HA       VAL  92   0.496   7.367   0.428
  767    HB   VAL  92           HB       VAL  92  -0.448   8.870  -1.462
  768   1HG1  VAL  92          2HG1      VAL  92   1.655   9.333  -2.585
  769   2HG1  VAL  92          1HG1      VAL  92   1.884   7.612  -2.904
  770   3HG1  VAL  92          3HG1      VAL  92   0.546   8.482  -3.661
  771   1HG2  VAL  92          2HG2      VAL  92  -1.197   6.609  -1.003
  772   2HG2  VAL  92          1HG2      VAL  92  -1.086   6.877  -2.743
  773   3HG2  VAL  92          3HG2      VAL  92   0.164   5.952  -1.913
  774    H    GLU  93           HN       GLU  93   3.363   8.955  -0.788
  775    HA   GLU  93           HA       GLU  93   4.740   6.623  -1.557
  776   1HB   GLU  93           HB2      GLU  93   5.514   9.410  -0.889
  777   2HB   GLU  93           HB1      GLU  93   6.775   8.186  -0.885
  778   1HG   GLU  93           HG2      GLU  93   6.020   7.545  -3.189
  779   2HG   GLU  93           HG1      GLU  93   4.981   8.967  -3.162
  780    H    GLU  94           HN       GLU  94   4.386   8.245   1.568
  781    HA   GLU  94           HA       GLU  94   6.000   6.471   3.054
  782   1HB   GLU  94           HB2      GLU  94   3.433   7.813   3.940
  783   2HB   GLU  94           HB1      GLU  94   4.666   7.138   4.993
  784   1HG   GLU  94           HG2      GLU  94   5.043   9.476   3.137
  785   2HG   GLU  94           HG1      GLU  94   4.777   9.575   4.875
  786    H    VAL  95           HN       VAL  95   2.720   6.247   1.821
  787    HA   VAL  95           HA       VAL  95   2.119   3.720   2.981
  788    HB   VAL  95           HB       VAL  95   0.972   5.078   0.544
  789   1HG1  VAL  95          1HG1      VAL  95   0.244   2.451   1.834
  790   2HG1  VAL  95          3HG1      VAL  95  -0.863   3.350   0.792
  791   3HG1  VAL  95          2HG1      VAL  95   0.668   2.755   0.150
  792   1HG2  VAL  95          1HG2      VAL  95   0.484   6.162   2.683
  793   2HG2  VAL  95          3HG2      VAL  95  -0.967   5.443   1.986
  794   3HG2  VAL  95          2HG2      VAL  95  -0.137   4.638   3.316
  795    H    LYS  96           HN       LYS  96   3.695   4.699  -0.036
  796    HA   LYS  96           HA       LYS  96   3.934   2.192  -1.233
  797   1HB   LYS  96           HB2      LYS  96   5.919   4.469  -1.189
  798   2HB   LYS  96           HB1      LYS  96   6.101   3.039  -2.192
  799   1HG   LYS  96           HG2      LYS  96   3.905   3.602  -3.251
  800   2HG   LYS  96           HG1      LYS  96   3.939   5.125  -2.354
  801   1HD   LYS  96           HD2      LYS  96   6.088   5.681  -3.412
  802   2HD   LYS  96           HD1      LYS  96   6.015   4.175  -4.328
  803   1HE   LYS  96           HE2      LYS  96   3.888   4.966  -5.343
  804   2HE   LYS  96           HE1      LYS  96   4.116   6.509  -4.518
  805   1HZ   LYS  96           HZ2      LYS  96   6.248   6.740  -5.706
  806   2HZ   LYS  96           HZ1      LYS  96   5.917   5.312  -6.557
  807   3HZ   LYS  96           HZ3      LYS  96   4.921   6.668  -6.763
  808    H    LYS  97           HN       LYS  97   5.667   3.579   1.467
  809    HA   LYS  97           HA       LYS  97   7.505   1.396   1.768
  810   1HB   LYS  97           HB2      LYS  97   7.954   3.671   2.639
  811   2HB   LYS  97           HB1      LYS  97   6.606   3.498   3.751
  812   1HG   LYS  97           HG2      LYS  97   7.921   1.392   4.557
  813   2HG   LYS  97           HG1      LYS  97   9.294   2.226   3.820
  814   1HD   LYS  97           HD2      LYS  97   8.634   4.254   5.154
  815   2HD   LYS  97           HD1      LYS  97   7.481   3.222   6.002
  816   1HE   LYS  97           HE2      LYS  97   9.518   3.423   7.292
  817   2HE   LYS  97           HE1      LYS  97   9.329   1.769   6.713
  818   1HZ   LYS  97           HZ3      LYS  97  10.957   3.736   5.225
  819   2HZ   LYS  97           HZ2      LYS  97  11.611   2.852   6.517
  820   3HZ   LYS  97           HZ1      LYS  97  11.015   2.042   5.150
  821    H    LEU  98           HN       LEU  98   4.338   2.271   3.037
  822    HA   LEU  98           HA       LEU  98   4.282   0.293   5.074
  823   1HB   LEU  98           HB2      LEU  98   2.195   2.018   3.795
  824   2HB   LEU  98           HB1      LEU  98   1.746   0.788   4.963
  825    HG   LEU  98           HG       LEU  98   3.599   3.129   5.471
  826   1HD1  LEU  98          3HD1      LEU  98   1.253   3.779   5.201
  827   2HD1  LEU  98          2HD1      LEU  98   0.788   2.604   6.432
  828   3HD1  LEU  98          1HD1      LEU  98   1.799   3.983   6.865
  829   1HD2  LEU  98          1HD2      LEU  98   4.188   1.148   6.797
  830   2HD2  LEU  98          3HD2      LEU  98   3.530   2.439   7.802
  831   3HD2  LEU  98          2HD2      LEU  98   2.527   1.051   7.381
  832    H    LEU  99           HN       LEU  99   2.882   0.474   1.839
  833    HA   LEU  99           HA       LEU  99   1.449  -1.909   1.998
  834   1HB   LEU  99           HB2      LEU  99   1.265  -1.765  -0.474
  835   2HB   LEU  99           HB1      LEU  99   0.749  -0.346   0.407
  836    HG   LEU  99           HG       LEU  99   2.947   0.708  -0.160
  837   1HD1  LEU  99          1HD1      LEU  99   3.162  -1.635  -2.039
  838   2HD1  LEU  99          3HD1      LEU  99   4.188  -0.199  -2.064
  839   3HD1  LEU  99          2HD1      LEU  99   4.224  -1.286  -0.676
  840   1HD2  LEU  99          3HD2      LEU  99   1.135  -0.078  -2.432
  841   2HD2  LEU  99          2HD2      LEU  99   0.908   1.282  -1.334
  842   3HD2  LEU  99          1HD2      LEU  99   2.274   1.268  -2.449
  843    H    VAL 100           HN       VAL 100   4.671  -1.710   2.162
  844    HA   VAL 100           HA       VAL 100   5.379  -3.889   0.419
  845    HB   VAL 100           HB       VAL 100   6.916  -2.681   2.733
  846   1HG1  VAL 100          2HG1      VAL 100   7.627  -4.971   2.217
  847   2HG1  VAL 100          1HG1      VAL 100   7.870  -4.509   0.533
  848   3HG1  VAL 100          3HG1      VAL 100   8.868  -3.790   1.798
  849   1HG2  VAL 100          3HG2      VAL 100   6.510  -1.067   0.956
  850   2HG2  VAL 100          2HG2      VAL 100   8.210  -1.534   0.994
  851   3HG2  VAL 100          1HG2      VAL 100   7.140  -2.203  -0.237
  852    HA   PRO 101           HA       PRO 101   3.671  -6.990   3.102
  853   1HB   PRO 101           HB2      PRO 101   4.826  -9.148   1.904
  854   2HB   PRO 101           HB1      PRO 101   3.438  -8.290   1.228
  855   1HG   PRO 101           HG2      PRO 101   6.345  -8.011   0.549
  856   2HG   PRO 101           HG1      PRO 101   4.949  -8.128  -0.541
  857   1HD   PRO 101           HD2      PRO 101   6.082  -5.767   0.021
  858   2HD   PRO 101           HD1      PRO 101   4.322  -5.927  -0.182
  859    H    ALA 102           HN       ALA 102   6.853  -6.046   2.982
  860    HA   ALA 102           HA       ALA 102   8.443  -6.019   4.588
  861   1HB   ALA 102           HB1      ALA 102   7.894  -6.717   6.853
  862   2HB   ALA 102           HB3      ALA 102   6.593  -5.755   6.151
  863   3HB   ALA 102           HB2      ALA 102   6.433  -7.507   6.262
  864    H    ALA 103           HN       ALA 103   8.218  -8.186   2.650
  865    HA   ALA 103           HA       ALA 103   9.310 -10.085   2.067
  866   1HB   ALA 103           HB2      ALA 103  10.971  -9.488   4.510
  867   2HB   ALA 103           HB1      ALA 103  11.390 -10.632   3.236
  868   3HB   ALA 103           HB3      ALA 103  11.278  -8.909   2.873
  869    H    GLU 104           HN       GLU 104   6.951 -10.341   3.698
  870    HA   GLU 104           HA       GLU 104   7.547 -13.062   4.594
  871   1HB   GLU 104           HB2      GLU 104   7.227 -11.632   6.593
  872   2HB   GLU 104           HB1      GLU 104   5.624 -11.205   6.007
  873   1HG   GLU 104           HG2      GLU 104   4.797 -13.370   6.346
  874   2HG   GLU 104           HG1      GLU 104   6.412 -14.063   6.480
  875    H    GLY 105           HN       GLY 105   5.766 -14.509   4.468
  876   1HA   GLY 105           HA1      GLY 105   4.090 -13.860   2.131
  877   2HA   GLY 105           HA2      GLY 105   3.401 -14.699   3.523
  878    H    GLU 106           HN       GLU 106   6.628 -15.053   2.280
  879    HA   GLU 106           HA       GLU 106   6.055 -17.836   1.598
  880   1HB   GLU 106           HB2      GLU 106   8.284 -16.015   0.699
  881   2HB   GLU 106           HB1      GLU 106   8.261 -17.743   0.384
  882   1HG   GLU 106           HG2      GLU 106   6.138 -15.824  -0.536
  883   2HG   GLU 106           HG1      GLU 106   7.506 -16.350  -1.516
  884    H    ASP 107           HN       ASP 107   7.025 -19.410   2.707
  885    HA   ASP 107           HA       ASP 107   8.081 -19.062   5.226
  886   1HB   ASP 107           HB2      ASP 107   8.656 -21.397   5.185
  887   2HB   ASP 107           HB1      ASP 107   7.146 -21.186   4.305
  888    H    SER 108           HN       SER 108   9.741 -19.209   2.184
  889    HA   SER 108           HA       SER 108  12.318 -19.597   3.294
  890   1HB   SER 108           HB2      SER 108  13.054 -19.208   0.971
  891   2HB   SER 108           HB1      SER 108  11.723 -20.361   1.087
  892    HG   SER 108           HG       SER 108  10.461 -19.050   0.028
  893    H    LEU 109           HN       LEU 109  10.348 -16.858   2.740
  894    HA   LEU 109           HA       LEU 109  12.374 -14.906   2.411
  895   1HB   LEU 109           HB2      LEU 109   9.515 -14.684   3.345
  896   2HB   LEU 109           HB1      LEU 109  10.546 -13.310   3.005
  897    HG   LEU 109           HG       LEU 109   9.809 -15.398   0.956
  898   1HD1  LEU 109          2HD1      LEU 109   8.566 -12.722   1.564
  899   2HD1  LEU 109          1HD1      LEU 109   8.321 -13.602   0.054
  900   3HD1  LEU 109          3HD1      LEU 109   7.787 -14.309   1.579
  901   1HD2  LEU 109          1HD2      LEU 109  11.077 -12.673   0.709
  902   2HD2  LEU 109          3HD2      LEU 109  11.892 -14.223   0.501
  903   3HD2  LEU 109          2HD2      LEU 109  10.634 -13.729  -0.634
  904    H    LYS 110           HN       LYS 110  10.570 -16.092   5.221
  905    HA   LYS 110           HA       LYS 110  11.920 -14.229   6.983
  906   1HB   LYS 110           HB2      LYS 110   9.550 -14.773   7.355
  907   2HB   LYS 110           HB1      LYS 110   9.973 -16.460   7.607
  908   1HG   LYS 110           HG2      LYS 110   9.646 -15.525   9.748
  909   2HG   LYS 110           HG1      LYS 110  11.389 -15.705   9.550
  910   1HD   LYS 110           HD2      LYS 110  11.056 -13.570  10.513
  911   2HD   LYS 110           HD1      LYS 110  11.422 -13.283   8.811
  912   1HE   LYS 110           HE2      LYS 110   9.010 -13.083   8.350
  913   2HE   LYS 110           HE1      LYS 110   8.679 -13.309  10.067
  914   1HZ   LYS 110           HZ3      LYS 110  10.020 -11.289  10.490
  915   2HZ   LYS 110           HZ2      LYS 110  10.156 -11.058   8.816
  916   3HZ   LYS 110           HZ1      LYS 110   8.634 -10.986   9.559
  917    H    LYS 111           HN       LYS 111  11.662 -17.791   6.775
  918    HA   LYS 111           HA       LYS 111  13.466 -18.198   8.911
  919   1HB   LYS 111           HB2      LYS 111  12.381 -20.058   6.816
  920   2HB   LYS 111           HB1      LYS 111  13.521 -20.595   8.040
  921   1HG   LYS 111           HG2      LYS 111  11.479 -21.174   8.940
  922   2HG   LYS 111           HG1      LYS 111  11.828 -19.635   9.725
  923   1HD   LYS 111           HD2      LYS 111  10.357 -18.476   8.204
  924   2HD   LYS 111           HD1      LYS 111  10.085 -19.958   7.283
  925   1HE   LYS 111           HE2      LYS 111   9.303 -19.463  10.153
  926   2HE   LYS 111           HE1      LYS 111   8.213 -19.508   8.769
  927   1HZ   LYS 111           HZ1      LYS 111   9.865 -21.797   9.708
  928   2HZ   LYS 111           HZ3      LYS 111   8.215 -21.586  10.029
  929   3HZ   LYS 111           HZ2      LYS 111   8.746 -21.827   8.438
  930    H    MET 112           HN       MET 112  13.913 -18.364   5.398
  931    HA   MET 112           HA       MET 112  16.518 -19.501   5.664
  932   1HB   MET 112           HB2      MET 112  14.992 -18.449   3.301
  933   2HB   MET 112           HB1      MET 112  16.658 -19.004   3.163
  934   1HG   MET 112           HG2      MET 112  15.997 -21.197   4.010
  935   2HG   MET 112           HG1      MET 112  14.329 -20.646   4.139
  936   1HE   MET 112           HE2      MET 112  16.972 -19.864   1.335
  937   2HE   MET 112           HE1      MET 112  17.281 -21.558   1.718
  938   3HE   MET 112           HE3      MET 112  16.601 -21.118   0.151
  939    H    LYS 113           HN       LYS 113  15.327 -16.235   5.428
  940    HA   LYS 113           HA       LYS 113  17.866 -15.111   4.755
  941   1HB   LYS 113           HB2      LYS 113  15.853 -13.874   4.267
  942   2HB   LYS 113           HB1      LYS 113  15.380 -13.893   5.957
  943   1HG   LYS 113           HG2      LYS 113  16.203 -11.712   5.357
  944   2HG   LYS 113           HG1      LYS 113  17.308 -12.471   6.499
  945   1HD   LYS 113           HD2      LYS 113  17.990 -12.997   3.708
  946   2HD   LYS 113           HD1      LYS 113  18.012 -11.281   4.121
  947   1HE   LYS 113           HE2      LYS 113  19.495 -11.766   6.013
  948   2HE   LYS 113           HE1      LYS 113  19.487 -13.477   5.586
  949   1HZ   LYS 113           HZ3      LYS 113  20.444 -12.821   3.404
  950   2HZ   LYS 113           HZ2      LYS 113  20.586 -11.233   3.978
  951   3HZ   LYS 113           HZ1      LYS 113  21.462 -12.480   4.723
  952    H    LEU 114           HN       LEU 114  16.202 -15.808   7.806
  953    HA   LEU 114           HA       LEU 114  18.339 -14.489   9.235
  954   1HB   LEU 114           HB2      LEU 114  15.977 -14.091   9.829
  955   2HB   LEU 114           HB1      LEU 114  15.819 -15.782  10.265
  956    HG   LEU 114           HG       LEU 114  17.495 -15.468  12.047
  957   1HD1  LEU 114          3HD1      LEU 114  18.714 -13.619  11.012
  958   2HD1  LEU 114          2HD1      LEU 114  17.326 -12.563  11.264
  959   3HD1  LEU 114          1HD1      LEU 114  18.198 -13.218  12.651
  960   1HD2  LEU 114          2HD2      LEU 114  15.075 -15.237  12.474
  961   2HD2  LEU 114          1HD2      LEU 114  16.058 -14.240  13.548
  962   3HD2  LEU 114          3HD2      LEU 114  15.213 -13.503  12.187
  963    H    MET 115           HN       MET 115  16.649 -17.617   9.585
  964    HA   MET 115           HA       MET 115  18.797 -18.595  11.258
  965   1HB   MET 115           HB2      MET 115  16.512 -19.042  11.931
  966   2HB   MET 115           HB1      MET 115  16.180 -19.839  10.399
  967   1HG   MET 115           HG2      MET 115  17.825 -21.574  10.975
  968   2HG   MET 115           HG1      MET 115  18.078 -20.791  12.533
  969   1HE   MET 115           HE1      MET 115  15.488 -22.623  10.218
  970   2HE   MET 115           HE3      MET 115  14.061 -22.680  11.254
  971   3HE   MET 115           HE2      MET 115  14.637 -21.133  10.628
  972    H    GLU 116           HN       GLU 116  17.285 -19.536   8.184
  973    HA   GLU 116           HA       GLU 116  18.997 -21.776   7.815
  974   1HB   GLU 116           HB2      GLU 116  17.275 -20.332   5.804
  975   2HB   GLU 116           HB1      GLU 116  17.995 -21.921   5.587
  976   1HG   GLU 116           HG2      GLU 116  15.978 -21.221   7.709
  977   2HG   GLU 116           HG1      GLU 116  15.603 -21.999   6.172
  978    H    LEU 117           HN       LEU 117  19.456 -18.480   7.409
  979    HA   LEU 117           HA       LEU 117  21.212 -18.523   5.156
  980   1HB   LEU 117           HB2      LEU 117  19.920 -16.552   6.409
  981   2HB   LEU 117           HB1      LEU 117  21.444 -16.427   7.260
  982    HG   LEU 117           HG       LEU 117  21.298 -14.843   5.388
  983   1HD1  LEU 117          2HD1      LEU 117  23.499 -15.655   6.048
  984   2HD1  LEU 117          1HD1      LEU 117  23.342 -17.016   4.938
  985   3HD1  LEU 117          3HD1      LEU 117  23.428 -15.371   4.309
  986   1HD2  LEU 117          1HD2      LEU 117  19.844 -16.206   3.939
  987   2HD2  LEU 117          3HD2      LEU 117  21.267 -15.601   3.090
  988   3HD2  LEU 117          2HD2      LEU 117  21.205 -17.285   3.616
  989    H    ALA 118           HN       ALA 118  21.754 -18.100   8.627
  990    HA   ALA 118           HA       ALA 118  23.884 -19.856   8.900
  991   1HB   ALA 118           HB2      ALA 118  25.790 -18.345   9.072
  992   2HB   ALA 118           HB3      ALA 118  24.773 -16.986   8.595
  993   3HB   ALA 118           HB1      ALA 118  25.105 -18.282   7.449
  994    H    ILE 119           HN       ILE 119  23.260 -20.378  10.907
  995    HA   ILE 119           HA       ILE 119  22.283 -18.351  12.723
  996    HB   ILE 119           HB       ILE 119  22.898 -21.067  13.754
  997   1HG1  ILE 119          2HG1      ILE 119  20.602 -20.571  11.838
  998   2HG1  ILE 119          1HG1      ILE 119  22.029 -21.533  11.470
  999   1HG2  ILE 119          1HG2      ILE 119  21.813 -19.310  15.089
 1000   2HG2  ILE 119          3HG2      ILE 119  20.473 -19.286  13.939
 1001   3HG2  ILE 119          2HG2      ILE 119  20.787 -20.732  14.902
 1002   1HD1  ILE 119          1HD1      ILE 119  21.422 -23.098  13.246
 1003   2HD1  ILE 119          3HD1      ILE 119  19.982 -22.138  13.589
 1004   3HD1  ILE 119          2HD1      ILE 119  20.152 -22.947  12.032
 1005    H    LEU 120           HN       LEU 120  24.904 -20.755  12.804
 1006    HA   LEU 120           HA       LEU 120  26.324 -19.215  14.806
 1007   1HB   LEU 120           HB2      LEU 120  27.061 -21.763  13.363
 1008   2HB   LEU 120           HB1      LEU 120  28.020 -21.031  14.634
 1009    HG   LEU 120           HG       LEU 120  26.874 -22.766  15.699
 1010   1HD1  LEU 120          3HD1      LEU 120  25.262 -20.261  16.131
 1011   2HD1  LEU 120          2HD1      LEU 120  25.238 -21.676  17.185
 1012   3HD1  LEU 120          1HD1      LEU 120  26.724 -20.745  16.991
 1013   1HD2  LEU 120          3HD2      LEU 120  24.371 -21.887  14.272
 1014   2HD2  LEU 120          2HD2      LEU 120  25.325 -23.331  13.926
 1015   3HD2  LEU 120          1HD2      LEU 120  24.468 -23.186  15.461
 1016    H    ASN 121           HN       ASN 121  26.267 -17.412  13.176
 1017    HA   ASN 121           HA       ASN 121  28.176 -17.676  10.981
 1018   1HB   ASN 121           HB2      ASN 121  27.260 -15.655  10.116
 1019   2HB   ASN 121           HB1      ASN 121  25.893 -16.597  10.705
 1020   1HD2  ASN 121          1HD2      ASN 121  24.816 -15.923  12.594
 1021   2HD2  ASN 121          2HD2      ASN 121  24.989 -14.308  13.199
 1022    H    GLY 122           HN       GLY 122  28.541 -17.087  14.123
 1023   1HA   GLY 122           HA1      GLY 122  30.581 -14.994  13.677
 1024   2HA   GLY 122           HA2      GLY 122  30.829 -16.363  14.751
 1025    H    THR 123           HN       THR 123  27.785 -14.662  14.553
 1026    HA   THR 123           HA       THR 123  28.106 -12.868  16.670
 1027    HB   THR 123           HB       THR 123  25.567 -14.332  15.939
 1028    HG1  THR 123           HG1      THR 123  26.875 -12.089  14.761
 1029   1HG2  THR 123          3HG2      THR 123  26.037 -11.599  17.146
 1030   2HG2  THR 123          2HG2      THR 123  24.465 -12.273  16.712
 1031   3HG2  THR 123          1HG2      THR 123  25.418 -13.014  17.999
 1032    H    TYR 124           HN       TYR 124  26.931 -16.213  16.648
 1033    HA   TYR 124           HA       TYR 124  27.475 -16.322  19.534
 1034   1HB   TYR 124           HB2      TYR 124  25.449 -17.898  17.933
 1035   2HB   TYR 124           HB1      TYR 124  25.833 -18.196  19.625
 1036    HD1  TYR 124           HD1      TYR 124  23.926 -16.215  17.309
 1037    HD2  TYR 124           HD2      TYR 124  25.347 -16.403  21.315
 1038    HE1  TYR 124           HE1      TYR 124  22.240 -14.556  17.980
 1039    HE2  TYR 124           HE2      TYR 124  23.666 -14.744  21.994
 1040    HH   TYR 124           HH       TYR 124  22.331 -12.944  20.944
 1041    H    ARG 125           HN       ARG 125  29.605 -16.962  19.339
 1042    HA   ARG 125           HA       ARG 125  30.223 -19.304  17.751
 1043   1HB   ARG 125           HB2      ARG 125  32.025 -17.610  19.487
 1044   2HB   ARG 125           HB1      ARG 125  32.555 -18.881  18.391
 1045   1HG   ARG 125           HG2      ARG 125  31.682 -17.620  16.495
 1046   2HG   ARG 125           HG1      ARG 125  31.144 -16.346  17.591
 1047   1HD   ARG 125           HD2      ARG 125  33.210 -15.655  16.626
 1048   2HD   ARG 125           HD1      ARG 125  33.512 -16.070  18.312
 1049    HE   ARG 125           HE       ARG 125  34.033 -18.351  16.812
 1050   1HH1  ARG 125          1HH1      ARG 125  35.226 -15.065  16.966
 1051   2HH1  ARG 125          2HH1      ARG 125  36.871 -15.508  16.618
 1052   1HH2  ARG 125          1HH2      ARG 125  36.202 -18.938  16.320
 1053   2HH2  ARG 125          2HH2      ARG 125  37.420 -17.702  16.232
 1054    H    ASP 126           HN       ASP 126  29.282 -18.553  20.895
 1055    HA   ASP 126           HA       ASP 126  30.462 -20.917  22.094
 1056   1HB   ASP 126           HB2      ASP 126  29.529 -20.077  24.166
 1057   2HB   ASP 126           HB1      ASP 126  30.351 -18.763  23.341
 1058    H    ALA 127           HN       ALA 127  27.421 -19.770  20.822
 1059    HA   ALA 127           HA       ALA 127  25.781 -21.845  21.839
 1060   1HB   ALA 127           HB2      ALA 127  25.415 -20.195  19.341
 1061   2HB   ALA 127           HB1      ALA 127  24.174 -21.170  20.130
 1062   3HB   ALA 127           HB3      ALA 127  24.848 -19.764  20.955
 1063    H    ASN 128           HN       ASN 128  28.235 -21.800  19.579
 1064    HA   ASN 128           HA       ASN 128  27.601 -23.841  17.794
 1065   1HB   ASN 128           HB2      ASN 128  29.593 -22.462  17.553
 1066   2HB   ASN 128           HB1      ASN 128  30.243 -23.077  19.071
 1067   1HD2  ASN 128          1HD2      ASN 128  32.101 -23.853  18.151
 1068   2HD2  ASN 128          2HD2      ASN 128  32.139 -25.232  17.107
 1069    H    LEU 129           HN       LEU 129  28.547 -23.894  21.154
 1070    HA   LEU 129           HA       LEU 129  28.507 -26.832  21.132
 1071   1HB   LEU 129           HB2      LEU 129  29.653 -24.912  23.166
 1072   2HB   LEU 129           HB1      LEU 129  29.569 -26.645  23.390
 1073    HG   LEU 129           HG       LEU 129  31.790 -26.192  22.767
 1074   1HD1  LEU 129          2HD1      LEU 129  30.862 -28.112  21.618
 1075   2HD1  LEU 129          1HD1      LEU 129  30.341 -27.082  20.285
 1076   3HD1  LEU 129          3HD1      LEU 129  32.060 -27.299  20.611
 1077   1HD2  LEU 129          1HD2      LEU 129  31.485 -23.918  21.947
 1078   2HD2  LEU 129          3HD2      LEU 129  32.438 -24.881  20.819
 1079   3HD2  LEU 129          2HD2      LEU 129  30.743 -24.541  20.474
 1080    H    LYS 130           HN       LYS 130  26.671 -27.714  21.777
 1081    HA   LYS 130           HA       LYS 130  24.719 -26.228  23.256
 1082   1HB   LYS 130           HB2      LYS 130  23.358 -28.256  23.106
 1083   2HB   LYS 130           HB1      LYS 130  24.024 -27.829  21.537
 1084   1HG   LYS 130           HG2      LYS 130  24.676 -29.943  21.383
 1085   2HG   LYS 130           HG1      LYS 130  25.901 -29.559  22.594
 1086   1HD   LYS 130           HD2      LYS 130  24.238 -30.154  24.357
 1087   2HD   LYS 130           HD1      LYS 130  23.146 -30.685  23.078
 1088   1HE   LYS 130           HE2      LYS 130  24.293 -32.599  23.962
 1089   2HE   LYS 130           HE1      LYS 130  24.875 -32.287  22.327
 1090   1HZ   LYS 130           HZ1      LYS 130  26.268 -31.467  24.821
 1091   2HZ   LYS 130           HZ3      LYS 130  26.677 -32.807  23.870
 1092   3HZ   LYS 130           HZ2      LYS 130  26.840 -31.244  23.238
 1093    H    SER 131           HN       SER 131  23.649 -27.957  25.055
 1094    HA   SER 131           HA       SER 131  25.065 -27.583  27.368
 1095   1HB   SER 131           HB2      SER 131  23.139 -29.833  26.749
 1096   2HB   SER 131           HB1      SER 131  23.622 -29.321  28.366
 1097    HG   SER 131           HG       SER 131  22.040 -27.965  28.221
 1098    HA   PRO 132           HA       PRO 132  28.316 -30.697  26.934
 1099   1HB   PRO 132           HB2      PRO 132  29.451 -29.425  29.295
 1100   2HB   PRO 132           HB1      PRO 132  30.108 -29.505  27.660
 1101   1HG   PRO 132           HG2      PRO 132  29.211 -27.199  28.781
 1102   2HG   PRO 132           HG1      PRO 132  29.155 -27.515  27.038
 1103   1HD   PRO 132           HD2      PRO 132  26.964 -27.717  29.071
 1104   2HD   PRO 132           HD1      PRO 132  26.910 -27.071  27.416
 1105    H    ALA 133           HN       ALA 133  26.741 -29.597  29.890
 1106    HA   ALA 133           HA       ALA 133  26.263 -32.352  30.647
 1107   1HB   ALA 133           HB1      ALA 133  28.404 -31.834  31.724
 1108   2HB   ALA 133           HB2      ALA 133  27.120 -32.102  32.901
 1109   3HB   ALA 133           HB3      ALA 133  27.655 -30.462  32.539
 1110    H    LEU 134           HN       LEU 134  24.156 -31.667  30.053
 1111    HA   LEU 134           HA       LEU 134  22.011 -31.145  30.550
 1112   1HB   LEU 134           HB2      LEU 134  23.090 -30.822  33.348
 1113   2HB   LEU 134           HB1      LEU 134  21.386 -30.835  32.932
 1114    HG   LEU 134           HG       LEU 134  23.310 -33.132  32.542
 1115   1HD1  LEU 134          1HD1      LEU 134  21.061 -32.751  34.509
 1116   2HD1  LEU 134          3HD1      LEU 134  22.010 -34.221  34.297
 1117   3HD1  LEU 134          2HD1      LEU 134  22.785 -32.750  34.883
 1118   1HD2  LEU 134          1HD2      LEU 134  20.340 -32.947  32.054
 1119   2HD2  LEU 134          3HD2      LEU 134  21.592 -33.105  30.823
 1120   3HD2  LEU 134          2HD2      LEU 134  21.305 -34.420  31.963

  No H/Q in entry =        1120
  Start of MODEL   12
    1    H1   GLN   1           HT3      GLN   1 -11.541  14.590 -11.852
    2    H2   GLN   1           HT2      GLN   1 -12.009  15.855 -10.822
    3    H3   GLN   1           HT1      GLN   1 -10.708  16.062 -11.887
    4    HA   GLN   1           HA       GLN   1  -9.863  15.731  -9.699
    5   1HB   GLN   1           HB2      GLN   1 -10.479  13.988  -8.300
    6   2HB   GLN   1           HB1      GLN   1 -12.000  14.337  -9.100
    7   1HG   GLN   1           HG2      GLN   1 -11.280  12.473 -10.737
    8   2HG   GLN   1           HG1      GLN   1 -10.150  12.041  -9.466
    9   1HE2  GLN   1          1HE2      GLN   1 -10.912  11.224  -7.545
   10   2HE2  GLN   1          2HE2      GLN   1 -12.527  10.638  -7.355
   11    H    LEU   2           HN       LEU   2  -8.166  13.956  -9.145
   12    HA   LEU   2           HA       LEU   2  -7.438  12.431 -11.530
   13   1HB   LEU   2           HB2      LEU   2  -5.446  13.413 -11.818
   14   2HB   LEU   2           HB1      LEU   2  -6.116  14.723 -10.875
   15    HG   LEU   2           HG       LEU   2  -5.077  13.474  -8.847
   16   1HD1  LEU   2          2HD1      LEU   2  -3.427  12.356 -11.113
   17   2HD1  LEU   2          1HD1      LEU   2  -3.027  12.252  -9.399
   18   3HD1  LEU   2          3HD1      LEU   2  -4.456  11.428 -10.023
   19   1HD2  LEU   2          3HD2      LEU   2  -4.386  15.666  -9.679
   20   2HD2  LEU   2          2HD2      LEU   2  -2.998  14.704  -9.168
   21   3HD2  LEU   2          1HD2      LEU   2  -3.361  14.888 -10.885
   22    H    GLN   3           HN       GLN   3  -6.474  10.447 -11.110
   23    HA   GLN   3           HA       GLN   3  -6.327   9.695  -8.264
   24   1HB   GLN   3           HB2      GLN   3  -7.320   7.771 -10.352
   25   2HB   GLN   3           HB1      GLN   3  -7.464   7.658  -8.607
   26   1HG   GLN   3           HG2      GLN   3  -9.006   9.680  -8.774
   27   2HG   GLN   3           HG1      GLN   3  -9.035   9.358 -10.508
   28   1HE2  GLN   3          1HE2      GLN   3  -8.756   6.440  -9.969
   29   2HE2  GLN   3          2HE2      GLN   3 -10.317   5.911  -9.453
   30    H    GLU   4           HN       GLU   4  -4.509   8.633  -7.730
   31    HA   GLU   4           HA       GLU   4  -3.015   7.349  -9.922
   32   1HB   GLU   4           HB2      GLU   4  -1.582   8.031  -7.408
   33   2HB   GLU   4           HB1      GLU   4  -0.999   8.005  -9.065
   34   1HG   GLU   4           HG2      GLU   4  -2.573  10.078  -9.332
   35   2HG   GLU   4           HG1      GLU   4  -2.391  10.166  -7.582
   36    H    LYS   5           HN       LYS   5  -2.725   5.213  -9.740
   37    HA   LYS   5           HA       LYS   5  -3.628   4.016  -7.201
   38   1HB   LYS   5           HB2      LYS   5  -3.707   2.468  -9.747
   39   2HB   LYS   5           HB1      LYS   5  -4.689   2.297  -8.309
   40   1HG   LYS   5           HG2      LYS   5  -6.188   3.123  -9.868
   41   2HG   LYS   5           HG1      LYS   5  -5.704   4.552  -8.954
   42   1HD   LYS   5           HD2      LYS   5  -4.454   5.424 -10.673
   43   2HD   LYS   5           HD1      LYS   5  -4.167   3.840 -11.411
   44   1HE   LYS   5           HE2      LYS   5  -6.873   5.162 -11.348
   45   2HE   LYS   5           HE1      LYS   5  -5.721   5.390 -12.665
   46   1HZ   LYS   5           HZ1      LYS   5  -6.764   2.752 -11.782
   47   2HZ   LYS   5           HZ3      LYS   5  -7.362   3.627 -13.102
   48   3HZ   LYS   5           HZ2      LYS   5  -5.765   3.047 -13.119
   49    H    LEU   6           HN       LEU   6  -2.095   3.131  -6.117
   50    HA   LEU   6           HA       LEU   6   0.289   2.154  -7.506
   51   1HB   LEU   6           HB2      LEU   6  -0.059   2.492  -4.535
   52   2HB   LEU   6           HB1      LEU   6   1.435   2.455  -5.458
   53    HG   LEU   6           HG       LEU   6  -0.613   4.661  -5.709
   54   1HD1  LEU   6          1HD1      LEU   6   0.325   4.548  -3.426
   55   2HD1  LEU   6          3HD1      LEU   6   1.940   4.725  -4.115
   56   3HD1  LEU   6          2HD1      LEU   6   0.751   6.021  -4.295
   57   1HD2  LEU   6          2HD2      LEU   6   0.898   4.347  -7.631
   58   2HD2  LEU   6          1HD2      LEU   6   1.154   5.885  -6.807
   59   3HD2  LEU   6          3HD2      LEU   6   2.281   4.551  -6.555
   60    H    TYR   7           HN       TYR   7  -0.082   0.136  -8.146
   61    HA   TYR   7           HA       TYR   7  -2.007  -1.523  -6.846
   62   1HB   TYR   7           HB2      TYR   7  -0.329  -1.698  -9.290
   63   2HB   TYR   7           HB1      TYR   7  -0.929  -3.211  -8.606
   64    HD1  TYR   7           HD1      TYR   7  -3.147  -3.890  -8.974
   65    HD2  TYR   7           HD2      TYR   7  -1.989   0.105  -9.853
   66    HE1  TYR   7           HE1      TYR   7  -5.305  -3.515 -10.090
   67    HE2  TYR   7           HE2      TYR   7  -4.135   0.495 -10.970
   68    HH   TYR   7           HH       TYR   7  -6.763  -1.708 -10.741
   69    H    VAL   8           HN       VAL   8  -1.800  -3.171  -5.537
   70    HA   VAL   8           HA       VAL   8   0.825  -4.464  -5.296
   71    HB   VAL   8           HB       VAL   8   0.088  -5.019  -2.893
   72   1HG1  VAL   8          1HG1      VAL   8   1.971  -3.571  -3.425
   73   2HG1  VAL   8          3HG1      VAL   8   0.880  -2.194  -3.578
   74   3HG1  VAL   8          2HG1      VAL   8   1.094  -2.981  -2.013
   75   1HG2  VAL   8          1HG2      VAL   8  -1.708  -2.657  -3.466
   76   2HG2  VAL   8          3HG2      VAL   8  -2.190  -4.285  -2.966
   77   3HG2  VAL   8          2HG2      VAL   8  -1.316  -3.237  -1.844
   78    HA   PRO   9           HA       PRO   9  -2.004  -7.559  -6.753
   79   1HB   PRO   9           HB2      PRO   9  -0.178  -9.539  -7.120
   80   2HB   PRO   9           HB1      PRO   9  -0.374  -8.188  -8.248
   81   1HG   PRO   9           HG2      PRO   9   1.647  -8.568  -6.068
   82   2HG   PRO   9           HG1      PRO   9   1.883  -7.956  -7.721
   83   1HD   PRO   9           HD2      PRO   9   1.703  -6.305  -5.575
   84   2HD   PRO   9           HD1      PRO   9   1.116  -5.839  -7.185
   85    H    VAL  10           HN       VAL  10  -3.148  -7.836  -4.839
   86    HA   VAL  10           HA       VAL  10  -2.210  -9.195  -2.568
   87    HB   VAL  10           HB       VAL  10  -4.274  -7.776  -2.717
   88   1HG1  VAL  10          1HG1      VAL  10  -5.259  -8.739  -4.709
   89   2HG1  VAL  10          3HG1      VAL  10  -5.514 -10.262  -3.857
   90   3HG1  VAL  10          2HG1      VAL  10  -6.379  -8.810  -3.347
   91   1HG2  VAL  10          1HG2      VAL  10  -4.531 -10.489  -1.447
   92   2HG2  VAL  10          3HG2      VAL  10  -3.807  -9.048  -0.732
   93   3HG2  VAL  10          2HG2      VAL  10  -5.538  -9.094  -1.061
   94    H    LYS  11           HN       LYS  11  -3.231 -10.217  -5.637
   95    HA   LYS  11           HA       LYS  11  -3.843 -12.937  -5.209
   96   1HB   LYS  11           HB2      LYS  11  -2.416 -11.779  -7.612
   97   2HB   LYS  11           HB1      LYS  11  -3.421 -13.221  -7.563
   98   1HG   LYS  11           HG2      LYS  11  -5.392 -11.901  -7.216
   99   2HG   LYS  11           HG1      LYS  11  -4.429 -10.429  -7.072
  100   1HD   LYS  11           HD2      LYS  11  -3.656 -10.756  -9.397
  101   2HD   LYS  11           HD1      LYS  11  -4.721 -12.159  -9.528
  102   1HE   LYS  11           HE2      LYS  11  -6.655 -10.732  -9.091
  103   2HE   LYS  11           HE1      LYS  11  -5.595  -9.334  -8.930
  104   1HZ   LYS  11           HZ3      LYS  11  -4.924  -9.652 -11.251
  105   2HZ   LYS  11           HZ2      LYS  11  -6.010 -10.944 -11.388
  106   3HZ   LYS  11           HZ1      LYS  11  -6.593  -9.380 -11.101
  107    H    GLU  12           HN       GLU  12  -0.891 -11.132  -5.508
  108    HA   GLU  12           HA       GLU  12   0.857 -13.401  -5.707
  109   1HB   GLU  12           HB2      GLU  12   1.323 -10.453  -5.304
  110   2HB   GLU  12           HB1      GLU  12   2.622 -11.635  -5.415
  111   1HG   GLU  12           HG2      GLU  12   0.570 -11.122  -7.553
  112   2HG   GLU  12           HG1      GLU  12   2.216 -10.492  -7.544
  113    H    TYR  13           HN       TYR  13  -0.334 -11.270  -3.225
  114    HA   TYR  13           HA       TYR  13   1.226 -12.766  -1.223
  115   1HB   TYR  13           HB2      TYR  13   0.311  -9.893  -0.960
  116   2HB   TYR  13           HB1      TYR  13   1.405 -10.768   0.112
  117    HD1  TYR  13           HD1      TYR  13   3.734 -11.116  -0.517
  118    HD2  TYR  13           HD2      TYR  13   1.052  -9.049  -3.087
  119    HE1  TYR  13           HE1      TYR  13   5.639 -10.302  -1.845
  120    HE2  TYR  13           HE2      TYR  13   2.935  -8.235  -4.424
  121    HH   TYR  13           HH       TYR  13   6.073  -9.492  -4.139
  122    HA   PRO  14           HA       PRO  14  -3.319 -13.383  -0.501
  123   1HB   PRO  14           HB2      PRO  14  -2.464 -16.088   0.261
  124   2HB   PRO  14           HB1      PRO  14  -3.666 -15.590  -0.934
  125   1HG   PRO  14           HG2      PRO  14  -1.304 -16.660  -1.652
  126   2HG   PRO  14           HG1      PRO  14  -2.107 -15.411  -2.623
  127   1HD   PRO  14           HD2      PRO  14   0.173 -15.137  -0.695
  128   2HD   PRO  14           HD1      PRO  14  -0.049 -14.387  -2.291
  129    H    ASP  15           HN       ASP  15  -0.430 -13.981   1.335
  130    HA   ASP  15           HA       ASP  15  -1.942 -14.271   3.823
  131   1HB   ASP  15           HB2      ASP  15   0.214 -15.625   3.056
  132   2HB   ASP  15           HB1      ASP  15   1.047 -14.242   3.758
  133    H    PHE  16           HN       PHE  16  -0.398 -11.841   1.978
  134    HA   PHE  16           HA       PHE  16  -0.217 -10.134   4.361
  135   1HB   PHE  16           HB2      PHE  16   1.736 -10.229   2.691
  136   2HB   PHE  16           HB1      PHE  16   0.693  -9.267   1.634
  137    HD1  PHE  16           HD1      PHE  16   1.903  -9.334   5.145
  138    HD2  PHE  16           HD2      PHE  16   0.825  -6.912   1.802
  139    HE1  PHE  16           HE1      PHE  16   2.605  -7.325   6.376
  140    HE2  PHE  16           HE2      PHE  16   1.547  -4.902   3.029
  141    HZ   PHE  16           HZ       PHE  16   2.423  -5.110   5.321
  142    H    ASN  17           HN       ASN  17  -2.109  -9.309   4.808
  143    HA   ASN  17           HA       ASN  17  -3.890  -8.455   2.707
  144   1HB   ASN  17           HB2      ASN  17  -5.152  -7.525   4.797
  145   2HB   ASN  17           HB1      ASN  17  -5.163  -9.246   4.457
  146   1HD2  ASN  17          1HD2      ASN  17  -2.841  -7.044   6.066
  147   2HD2  ASN  17          2HD2      ASN  17  -2.734  -7.985   7.526
  148    H    PHE  18           HN       PHE  18  -2.951  -6.783   1.615
  149    HA   PHE  18           HA       PHE  18  -1.543  -4.685   2.760
  150   1HB   PHE  18           HB2      PHE  18  -3.170  -4.747   0.215
  151   2HB   PHE  18           HB1      PHE  18  -2.099  -3.419   0.683
  152    HD1  PHE  18           HD1      PHE  18   0.396  -4.019   1.137
  153    HD2  PHE  18           HD2      PHE  18  -2.360  -6.553  -0.880
  154    HE1  PHE  18           HE1      PHE  18   2.287  -5.242   0.086
  155    HE2  PHE  18           HE2      PHE  18  -0.512  -7.754  -1.923
  156    HZ   PHE  18           HZ       PHE  18   1.984  -7.043  -1.155
  157    H    VAL  19           HN       VAL  19  -5.048  -4.923   2.178
  158    HA   VAL  19           HA       VAL  19  -5.666  -2.397   3.260
  159    HB   VAL  19           HB       VAL  19  -7.922  -3.559   3.777
  160   1HG1  VAL  19          1HG1      VAL  19  -7.536  -2.034   1.920
  161   2HG1  VAL  19          3HG1      VAL  19  -6.883  -3.362   0.959
  162   3HG1  VAL  19          2HG1      VAL  19  -8.584  -3.368   1.431
  163   1HG2  VAL  19          3HG2      VAL  19  -6.603  -5.654   2.063
  164   2HG2  VAL  19          2HG2      VAL  19  -7.144  -5.855   3.730
  165   3HG2  VAL  19          1HG2      VAL  19  -8.323  -5.589   2.445
  166    H    GLY  20           HN       GLY  20  -5.569  -5.614   4.775
  167   1HA   GLY  20           HA1      GLY  20  -5.265  -6.229   6.962
  168   2HA   GLY  20           HA2      GLY  20  -6.132  -4.764   7.398
  169    H    ARG  21           HN       ARG  21  -3.426  -4.209   5.473
  170    HA   ARG  21           HA       ARG  21  -1.649  -3.765   7.747
  171   1HB   ARG  21           HB2      ARG  21  -0.333  -4.783   6.185
  172   2HB   ARG  21           HB1      ARG  21  -1.333  -4.243   4.847
  173   1HG   ARG  21           HG2      ARG  21   0.594  -3.095   4.444
  174   2HG   ARG  21           HG1      ARG  21  -0.308  -1.911   5.384
  175   1HD   ARG  21           HD2      ARG  21   2.020  -3.604   6.215
  176   2HD   ARG  21           HD1      ARG  21   1.849  -1.863   6.247
  177    HE   ARG  21           HE       ARG  21   0.113  -2.314   8.057
  178   1HH1  ARG  21          1HH1      ARG  21   2.952  -4.280   7.492
  179   2HH1  ARG  21          2HH1      ARG  21   3.057  -4.848   9.136
  180   1HH2  ARG  21          1HH2      ARG  21   0.254  -3.040  10.235
  181   2HH2  ARG  21          2HH2      ARG  21   1.533  -4.115  10.710
  182    H    ILE  22           HN       ILE  22  -3.100  -2.072   5.004
  183    HA   ILE  22           HA       ILE  22  -1.703   0.375   5.554
  184    HB   ILE  22           HB       ILE  22  -3.955  -0.257   3.641
  185   1HG1  ILE  22          2HG1      ILE  22  -1.948  -1.396   2.995
  186   2HG1  ILE  22          1HG1      ILE  22  -2.144  -0.014   1.926
  187   1HG2  ILE  22          2HG2      ILE  22  -4.039   2.092   4.209
  188   2HG2  ILE  22          1HG2      ILE  22  -2.322   2.263   3.843
  189   3HG2  ILE  22          3HG2      ILE  22  -3.462   1.876   2.555
  190   1HD1  ILE  22          3HD1      ILE  22  -0.506   1.220   3.305
  191   2HD1  ILE  22          2HD1      ILE  22  -0.254  -0.245   4.252
  192   3HD1  ILE  22          1HD1      ILE  22   0.156  -0.220   2.536
  193    H    LEU  23           HN       LEU  23  -5.157  -0.539   5.590
  194    HA   LEU  23           HA       LEU  23  -5.557   1.691   7.414
  195   1HB   LEU  23           HB2      LEU  23  -8.011   1.455   6.951
  196   2HB   LEU  23           HB1      LEU  23  -7.019   2.048   5.647
  197    HG   LEU  23           HG       LEU  23  -8.773   0.617   4.817
  198   1HD1  LEU  23          1HD1      LEU  23  -6.075  -0.679   4.560
  199   2HD1  LEU  23          3HD1      LEU  23  -7.465  -0.992   3.521
  200   3HD1  LEU  23          2HD1      LEU  23  -6.735   0.613   3.557
  201   1HD2  LEU  23          2HD2      LEU  23  -9.132  -0.777   6.773
  202   2HD2  LEU  23          1HD2      LEU  23  -8.906  -1.748   5.320
  203   3HD2  LEU  23          3HD2      LEU  23  -7.592  -1.591   6.488
  204    H    GLY  24           HN       GLY  24  -5.202  -1.612   7.436
  205   1HA   GLY  24           HA1      GLY  24  -5.410  -3.170   9.109
  206   2HA   GLY  24           HA2      GLY  24  -7.080  -2.635   9.154
  207    HA   PRO  25           HA       PRO  25  -5.106  -1.261  13.142
  208   1HB   PRO  25           HB2      PRO  25  -2.489  -1.580  13.597
  209   2HB   PRO  25           HB1      PRO  25  -3.577  -2.968  13.482
  210   1HG   PRO  25           HG2      PRO  25  -1.581  -1.966  11.528
  211   2HG   PRO  25           HG1      PRO  25  -2.149  -3.619  11.813
  212   1HD   PRO  25           HD2      PRO  25  -3.007  -1.827   9.777
  213   2HD   PRO  25           HD1      PRO  25  -3.686  -3.419  10.163
  214    H    ARG  26           HN       ARG  26  -3.582   0.004  10.355
  215    HA   ARG  26           HA       ARG  26  -2.732   2.409  11.824
  216   1HB   ARG  26           HB2      ARG  26  -1.518   1.223   9.322
  217   2HB   ARG  26           HB1      ARG  26  -0.999   2.713  10.094
  218   1HG   ARG  26           HG2      ARG  26  -0.885  -0.035  11.322
  219   2HG   ARG  26           HG1      ARG  26   0.478   0.852  10.636
  220   1HD   ARG  26           HD2      ARG  26  -1.202   1.851  12.930
  221   2HD   ARG  26           HD1      ARG  26   0.305   0.960  13.131
  222    HE   ARG  26           HE       ARG  26   0.682   3.208  11.437
  223   1HH1  ARG  26          1HH1      ARG  26   0.185   2.344  14.795
  224   2HH1  ARG  26          2HH1      ARG  26   1.134   3.669  15.410
  225   1HH2  ARG  26          1HH2      ARG  26   1.914   4.958  12.231
  226   2HH2  ARG  26          2HH2      ARG  26   2.125   5.153  13.945
  227    H    GLY  27           HN       GLY  27  -5.336   1.697  10.383
  228   1HA   GLY  27           HA1      GLY  27  -6.915   2.912   9.246
  229   2HA   GLY  27           HA2      GLY  27  -5.663   3.113   8.029
  230    H    LEU  28           HN       LEU  28  -4.995   4.380  11.127
  231    HA   LEU  28           HA       LEU  28  -6.052   6.897  11.177
  232   1HB   LEU  28           HB2      LEU  28  -4.667   5.986  12.959
  233   2HB   LEU  28           HB1      LEU  28  -3.255   6.042  11.922
  234    HG   LEU  28           HG       LEU  28  -3.477   8.533  11.860
  235   1HD1  LEU  28          2HD1      LEU  28  -5.849   8.684  12.407
  236   2HD1  LEU  28          1HD1      LEU  28  -5.522   8.047  14.020
  237   3HD1  LEU  28          3HD1      LEU  28  -4.871   9.615  13.543
  238   1HD2  LEU  28          3HD2      LEU  28  -1.896   7.425  13.352
  239   2HD2  LEU  28          2HD2      LEU  28  -2.564   8.874  14.103
  240   3HD2  LEU  28          1HD2      LEU  28  -3.148   7.282  14.585
  241    H    THR  29           HN       THR  29  -3.216   5.795   9.321
  242    HA   THR  29           HA       THR  29  -2.395   8.362   8.503
  243    HB   THR  29           HB       THR  29  -0.852   6.483   8.344
  244    HG1  THR  29           HG1      THR  29   0.027   7.651   6.826
  245   1HG2  THR  29          3HG2      THR  29  -2.659   5.465   6.146
  246   2HG2  THR  29          2HG2      THR  29  -1.068   4.814   6.539
  247   3HG2  THR  29          1HG2      THR  29  -2.382   4.699   7.710
  248    H    ALA  30           HN       ALA  30  -4.596   6.032   6.983
  249    HA   ALA  30           HA       ALA  30  -4.822   7.344   4.504
  250   1HB   ALA  30           HB3      ALA  30  -5.566   5.046   4.836
  251   2HB   ALA  30           HB1      ALA  30  -6.883   6.039   4.211
  252   3HB   ALA  30           HB2      ALA  30  -6.841   5.602   5.920
  253    H    LYS  31           HN       LYS  31  -6.598   7.632   7.510
  254    HA   LYS  31           HA       LYS  31  -8.530   9.480   6.568
  255   1HB   LYS  31           HB2      LYS  31  -8.801   8.060   8.586
  256   2HB   LYS  31           HB1      LYS  31  -7.527   8.991   9.374
  257   1HG   LYS  31           HG2      LYS  31  -9.814   9.638  10.075
  258   2HG   LYS  31           HG1      LYS  31  -8.893  10.968   9.371
  259   1HD   LYS  31           HD2      LYS  31 -11.179  10.982   8.539
  260   2HD   LYS  31           HD1      LYS  31 -10.053  10.623   7.230
  261   1HE   LYS  31           HE2      LYS  31 -10.554   8.197   7.569
  262   2HE   LYS  31           HE1      LYS  31 -11.795   8.670   8.730
  263   1HZ   LYS  31           HZ2      LYS  31 -12.882   9.942   6.949
  264   2HZ   LYS  31           HZ1      LYS  31 -11.716   9.390   5.843
  265   3HZ   LYS  31           HZ3      LYS  31 -12.783   8.289   6.581
  266    H    GLN  32           HN       GLN  32  -5.347   9.810   8.047
  267    HA   GLN  32           HA       GLN  32  -5.556  12.611   8.489
  268   1HB   GLN  32           HB2      GLN  32  -3.099  10.868   8.242
  269   2HB   GLN  32           HB1      GLN  32  -3.092  12.546   8.770
  270   1HG   GLN  32           HG2      GLN  32  -4.312  10.182  10.164
  271   2HG   GLN  32           HG1      GLN  32  -2.974  11.193  10.706
  272   1HE2  GLN  32          1HE2      GLN  32  -6.409  10.979  10.276
  273   2HE2  GLN  32          2HE2      GLN  32  -6.830  12.328  11.275
  274    H    LEU  33           HN       LEU  33  -4.575  10.619   5.788
  275    HA   LEU  33           HA       LEU  33  -3.251  12.709   4.380
  276   1HB   LEU  33           HB2      LEU  33  -4.546  10.320   3.084
  277   2HB   LEU  33           HB1      LEU  33  -3.184  11.257   2.507
  278    HG   LEU  33           HG       LEU  33  -3.261   9.176   4.655
  279   1HD1  LEU  33          2HD1      LEU  33  -1.456   9.634   2.294
  280   2HD1  LEU  33          1HD1      LEU  33  -1.331   8.301   3.444
  281   3HD1  LEU  33          3HD1      LEU  33  -2.754   8.445   2.413
  282   1HD2  LEU  33          1HD2      LEU  33  -1.147  11.300   4.340
  283   2HD2  LEU  33          3HD2      LEU  33  -2.168  11.000   5.751
  284   3HD2  LEU  33          2HD2      LEU  33  -0.950   9.815   5.272
  285    H    GLU  34           HN       GLU  34  -6.586  11.440   4.247
  286    HA   GLU  34           HA       GLU  34  -7.312  13.208   2.136
  287   1HB   GLU  34           HB2      GLU  34  -9.682  12.741   2.850
  288   2HB   GLU  34           HB1      GLU  34  -8.725  11.332   2.423
  289   1HG   GLU  34           HG2      GLU  34  -8.575  10.617   4.632
  290   2HG   GLU  34           HG1      GLU  34  -8.963  12.212   5.274
  291    H    ALA  35           HN       ALA  35  -7.456  13.400   5.638
  292    HA   ALA  35           HA       ALA  35  -8.876  15.828   5.780
  293   1HB   ALA  35           HB3      ALA  35  -8.204  15.910   8.094
  294   2HB   ALA  35           HB2      ALA  35  -8.626  14.251   7.668
  295   3HB   ALA  35           HB1      ALA  35  -6.933  14.722   7.799
  296    H    GLU  36           HN       GLU  36  -5.421  15.092   5.691
  297    HA   GLU  36           HA       GLU  36  -4.705  17.873   6.049
  298   1HB   GLU  36           HB2      GLU  36  -3.339  15.302   6.168
  299   2HB   GLU  36           HB1      GLU  36  -2.391  16.532   5.343
  300   1HG   GLU  36           HG2      GLU  36  -3.567  16.769   8.102
  301   2HG   GLU  36           HG1      GLU  36  -1.875  16.455   7.714
  302    H    THR  37           HN       THR  37  -4.363  15.461   3.432
  303    HA   THR  37           HA       THR  37  -3.033  17.427   1.798
  304    HB   THR  37           HB       THR  37  -2.675  15.727   0.176
  305    HG1  THR  37           HG1      THR  37  -4.393  13.975   1.617
  306   1HG2  THR  37          2HG2      THR  37  -1.321  15.528   2.215
  307   2HG2  THR  37          1HG2      THR  37  -2.534  14.454   2.911
  308   3HG2  THR  37          3HG2      THR  37  -1.626  13.953   1.482
  309    H    GLY  38           HN       GLY  38  -6.241  16.481   2.354
  310   1HA   GLY  38           HA1      GLY  38  -7.263  18.083   0.180
  311   2HA   GLY  38           HA2      GLY  38  -8.214  17.198   1.371
  312    H    CYS  39           HN       CYS  39  -6.052  15.047   0.353
  313    HA   CYS  39           HA       CYS  39  -7.668  14.112  -1.914
  314   1HB   CYS  39           HB2      CYS  39  -4.910  13.121  -1.257
  315   2HB   CYS  39           HB1      CYS  39  -5.745  13.150  -2.813
  316    HG   CYS  39           HG       CYS  39  -5.054  16.144  -1.387
  317    H    LYS  40           HN       LYS  40  -8.990  12.538  -1.490
  318    HA   LYS  40           HA       LYS  40  -8.645  11.085   0.978
  319   1HB   LYS  40           HB2      LYS  40 -10.856  10.109   0.480
  320   2HB   LYS  40           HB1      LYS  40 -10.891  11.863   0.475
  321   1HG   LYS  40           HG2      LYS  40 -11.323  11.987  -1.763
  322   2HG   LYS  40           HG1      LYS  40 -10.498  10.466  -2.121
  323   1HD   LYS  40           HD2      LYS  40 -12.403   9.349  -0.816
  324   2HD   LYS  40           HD1      LYS  40 -13.245  10.891  -0.978
  325   1HE   LYS  40           HE2      LYS  40 -12.055   9.639  -3.398
  326   2HE   LYS  40           HE1      LYS  40 -13.549   8.963  -2.750
  327   1HZ   LYS  40           HZ2      LYS  40 -13.263  11.861  -3.354
  328   2HZ   LYS  40           HZ1      LYS  40 -13.782  10.735  -4.514
  329   3HZ   LYS  40           HZ3      LYS  40 -14.683  10.969  -3.102
  330    H    ILE  41           HN       ILE  41  -6.963   9.764   0.701
  331    HA   ILE  41           HA       ILE  41  -6.705   8.165  -1.657
  332    HB   ILE  41           HB       ILE  41  -4.687   8.832  -0.624
  333   1HG1  ILE  41          2HG1      ILE  41  -5.186   5.889  -0.138
  334   2HG1  ILE  41          1HG1      ILE  41  -4.544   6.632  -1.601
  335   1HG2  ILE  41          1HG2      ILE  41  -5.529   9.188   1.657
  336   2HG2  ILE  41          3HG2      ILE  41  -5.588   7.441   1.903
  337   3HG2  ILE  41          2HG2      ILE  41  -4.036   8.246   1.656
  338   1HD1  ILE  41          2HD1      ILE  41  -3.193   6.578   1.087
  339   2HD1  ILE  41          1HD1      ILE  41  -2.794   5.564  -0.301
  340   3HD1  ILE  41          3HD1      ILE  41  -2.547   7.310  -0.383
  341    H    MET  42           HN       MET  42  -7.968   6.587  -2.041
  342    HA   MET  42           HA       MET  42  -9.178   5.115   0.182
  343   1HB   MET  42           HB2      MET  42 -11.037   4.643  -1.331
  344   2HB   MET  42           HB1      MET  42 -10.782   6.377  -1.211
  345   1HG   MET  42           HG2      MET  42  -9.571   6.324  -3.354
  346   2HG   MET  42           HG1      MET  42  -9.901   4.598  -3.483
  347   1HE   MET  42           HE1      MET  42 -12.892   4.709  -2.111
  348   2HE   MET  42           HE3      MET  42 -13.907   4.751  -3.553
  349   3HE   MET  42           HE2      MET  42 -12.524   3.661  -3.482
  350    H    VAL  43           HN       VAL  43  -8.820   2.967   0.270
  351    HA   VAL  43           HA       VAL  43  -6.995   1.872  -1.656
  352    HB   VAL  43           HB       VAL  43  -8.320   0.215   0.461
  353   1HG1  VAL  43          1HG1      VAL  43  -6.820  -0.843  -1.138
  354   2HG1  VAL  43          3HG1      VAL  43  -5.552   0.311  -0.719
  355   3HG1  VAL  43          2HG1      VAL  43  -6.117  -0.855   0.481
  356   1HG2  VAL  43          3HG2      VAL  43  -6.136   2.257   0.899
  357   2HG2  VAL  43          2HG2      VAL  43  -7.707   2.184   1.697
  358   3HG2  VAL  43          1HG2      VAL  43  -6.500   0.945   2.020
  359    H    ARG  44           HN       ARG  44  -7.526   0.663  -3.337
  360    HA   ARG  44           HA       ARG  44 -10.372   0.017  -3.735
  361   1HB   ARG  44           HB2      ARG  44  -8.351   0.280  -5.969
  362   2HB   ARG  44           HB1      ARG  44 -10.102   0.315  -6.084
  363   1HG   ARG  44           HG2      ARG  44  -8.916   2.479  -4.497
  364   2HG   ARG  44           HG1      ARG  44  -8.496   2.492  -6.197
  365   1HD   ARG  44           HD2      ARG  44 -11.319   2.375  -5.153
  366   2HD   ARG  44           HD1      ARG  44 -10.469   3.870  -5.530
  367    HE   ARG  44           HE       ARG  44 -10.753   1.876  -7.641
  368   1HH1  ARG  44          1HH1      ARG  44 -11.733   4.932  -6.232
  369   2HH1  ARG  44          2HH1      ARG  44 -12.522   5.498  -7.672
  370   1HH2  ARG  44          1HH2      ARG  44 -11.767   2.624  -9.551
  371   2HH2  ARG  44          2HH2      ARG  44 -12.533   4.186  -9.570
  372    H    GLY  45           HN       GLY  45 -10.622  -2.003  -5.188
  373   1HA   GLY  45           HA1      GLY  45  -8.520  -3.939  -4.525
  374   2HA   GLY  45           HA2      GLY  45  -9.732  -4.140  -5.789
  375    H    LYS  46           HN       LYS  46  -9.423  -6.143  -3.985
  376    HA   LYS  46           HA       LYS  46 -12.022  -6.065  -2.744
  377   1HB   LYS  46           HB2      LYS  46 -11.700  -8.462  -2.340
  378   2HB   LYS  46           HB1      LYS  46 -11.459  -8.027  -4.023
  379   1HG   LYS  46           HG2      LYS  46  -8.928  -7.894  -3.226
  380   2HG   LYS  46           HG1      LYS  46  -9.534  -9.047  -2.032
  381   1HD   LYS  46           HD2      LYS  46  -8.659 -10.185  -4.011
  382   2HD   LYS  46           HD1      LYS  46 -10.392 -10.462  -3.820
  383   1HE   LYS  46           HE2      LYS  46  -9.527  -8.156  -5.478
  384   2HE   LYS  46           HE1      LYS  46  -9.314  -9.773  -6.154
  385   1HZ   LYS  46           HZ1      LYS  46 -11.733 -10.130  -5.647
  386   2HZ   LYS  46           HZ3      LYS  46 -11.842  -8.473  -5.302
  387   3HZ   LYS  46           HZ2      LYS  46 -11.408  -8.984  -6.853
  388    H    GLY  47           HN       GLY  47 -12.283  -5.333  -0.734
  389   1HA   GLY  47           HA1      GLY  47 -10.178  -6.102   1.191
  390   2HA   GLY  47           HA2      GLY  47 -11.890  -6.194   1.580
  391    H    SER  48           HN       SER  48 -11.933  -3.489  -0.080
  392    HA   SER  48           HA       SER  48 -10.592  -1.619   1.576
  393   1HB   SER  48           HB2      SER  48 -13.033  -1.000  -0.058
  394   2HB   SER  48           HB1      SER  48 -11.608   0.002   0.237
  395    HG   SER  48           HG       SER  48 -10.413  -1.348  -1.084
  396    H    MET  49           HN       MET  49 -14.103  -2.156   1.151
  397    HA   MET  49           HA       MET  49 -14.549  -1.561   3.985
  398   1HB   MET  49           HB2      MET  49 -16.177  -0.651   1.608
  399   2HB   MET  49           HB1      MET  49 -16.762  -0.584   3.262
  400   1HG   MET  49           HG2      MET  49 -16.004   1.572   2.817
  401   2HG   MET  49           HG1      MET  49 -14.718   0.832   3.766
  402   1HE   MET  49           HE1      MET  49 -13.067   2.780   3.030
  403   2HE   MET  49           HE3      MET  49 -12.776   3.230   1.350
  404   3HE   MET  49           HE2      MET  49 -14.358   3.514   2.078
  405    H    ARG  50           HN       ARG  50 -14.121  -4.090   2.899
  406    HA   ARG  50           HA       ARG  50 -16.343  -5.376   1.742
  407   1HB   ARG  50           HB2      ARG  50 -13.643  -6.030   2.526
  408   2HB   ARG  50           HB1      ARG  50 -14.740  -7.359   2.871
  409   1HG   ARG  50           HG2      ARG  50 -14.689  -5.996   0.204
  410   2HG   ARG  50           HG1      ARG  50 -13.604  -7.330   0.601
  411   1HD   ARG  50           HD2      ARG  50 -16.598  -7.496   0.875
  412   2HD   ARG  50           HD1      ARG  50 -15.738  -7.953  -0.595
  413    HE   ARG  50           HE       ARG  50 -14.628  -9.286   1.639
  414   1HH1  ARG  50          1HH1      ARG  50 -17.559  -9.275  -0.273
  415   2HH1  ARG  50          2HH1      ARG  50 -17.784 -10.989  -0.168
  416   1HH2  ARG  50          1HH2      ARG  50 -14.938 -11.550   1.811
  417   2HH2  ARG  50          2HH2      ARG  50 -16.293 -12.287   1.013
  418    H    ASP  51           HN       ASP  51 -17.002  -4.198   4.433
  419    HA   ASP  51           HA       ASP  51 -17.440  -6.503   6.124
  420   1HB   ASP  51           HB2      ASP  51 -16.972  -4.163   6.976
  421   2HB   ASP  51           HB1      ASP  51 -18.594  -3.730   6.440
  422    H    LYS  52           HN       LYS  52 -19.364  -7.577   6.390
  423    HA   LYS  52           HA       LYS  52 -20.922  -7.893   4.121
  424   1HB   LYS  52           HB2      LYS  52 -21.488  -8.688   6.970
  425   2HB   LYS  52           HB1      LYS  52 -22.478  -9.188   5.607
  426   1HG   LYS  52           HG2      LYS  52 -20.421 -10.220   4.612
  427   2HG   LYS  52           HG1      LYS  52 -19.605  -9.883   6.142
  428   1HD   LYS  52           HD2      LYS  52 -20.462 -12.176   6.063
  429   2HD   LYS  52           HD1      LYS  52 -21.249 -11.235   7.332
  430   1HE   LYS  52           HE2      LYS  52 -23.156 -10.843   5.820
  431   2HE   LYS  52           HE1      LYS  52 -22.370 -11.839   4.596
  432   1HZ   LYS  52           HZ2      LYS  52 -23.200 -12.782   7.292
  433   2HZ   LYS  52           HZ1      LYS  52 -24.052 -13.059   5.853
  434   3HZ   LYS  52           HZ3      LYS  52 -22.512 -13.732   6.066
  435    H    LYS  53           HN       LYS  53 -21.559  -5.947   6.984
  436    HA   LYS  53           HA       LYS  53 -24.272  -5.420   6.455
  437   1HB   LYS  53           HB2      LYS  53 -24.063  -3.563   8.007
  438   2HB   LYS  53           HB1      LYS  53 -23.191  -4.956   8.633
  439   1HG   LYS  53           HG2      LYS  53 -21.087  -3.975   7.849
  440   2HG   LYS  53           HG1      LYS  53 -21.975  -2.575   7.250
  441   1HD   LYS  53           HD2      LYS  53 -20.991  -2.054   9.390
  442   2HD   LYS  53           HD1      LYS  53 -22.746  -2.116   9.543
  443   1HE   LYS  53           HE2      LYS  53 -22.607  -4.345  10.499
  444   2HE   LYS  53           HE1      LYS  53 -20.856  -4.347  10.287
  445   1HZ   LYS  53           HZ1      LYS  53 -22.304  -2.367  11.955
  446   2HZ   LYS  53           HZ3      LYS  53 -21.628  -3.796  12.571
  447   3HZ   LYS  53           HZ2      LYS  53 -20.629  -2.619  11.873
  448    H    LYS  54           HN       LYS  54 -21.324  -4.072   5.191
  449    HA   LYS  54           HA       LYS  54 -22.575  -1.707   4.135
  450   1HB   LYS  54           HB2      LYS  54 -20.041  -2.260   4.797
  451   2HB   LYS  54           HB1      LYS  54 -19.957  -2.599   3.078
  452   1HG   LYS  54           HG2      LYS  54 -20.504  -0.417   2.487
  453   2HG   LYS  54           HG1      LYS  54 -21.149  -0.048   4.087
  454   1HD   LYS  54           HD2      LYS  54 -18.859  -0.251   5.003
  455   2HD   LYS  54           HD1      LYS  54 -18.256  -0.491   3.361
  456   1HE   LYS  54           HE2      LYS  54 -18.005   1.839   4.129
  457   2HE   LYS  54           HE1      LYS  54 -19.042   1.702   2.710
  458   1HZ   LYS  54           HZ1      LYS  54 -20.041   1.918   5.507
  459   2HZ   LYS  54           HZ3      LYS  54 -19.923   3.220   4.426
  460   3HZ   LYS  54           HZ2      LYS  54 -20.973   1.935   4.093
  461    H    GLU  55           HN       GLU  55 -21.549  -4.828   2.968
  462    HA   GLU  55           HA       GLU  55 -22.098  -4.496   0.229
  463   1HB   GLU  55           HB2      GLU  55 -22.790  -7.079   1.570
  464   2HB   GLU  55           HB1      GLU  55 -21.986  -6.800   0.036
  465   1HG   GLU  55           HG2      GLU  55 -19.983  -6.113   1.207
  466   2HG   GLU  55           HG1      GLU  55 -20.783  -6.415   2.755
  467    H    GLU  56           HN       GLU  56 -24.163  -4.913   2.979
  468    HA   GLU  56           HA       GLU  56 -26.515  -5.375   1.355
  469   1HB   GLU  56           HB2      GLU  56 -26.206  -4.956   4.325
  470   2HB   GLU  56           HB1      GLU  56 -27.695  -5.414   3.511
  471   1HG   GLU  56           HG2      GLU  56 -26.483  -7.435   2.650
  472   2HG   GLU  56           HG1      GLU  56 -25.151  -7.004   3.721
  473    H    GLN  57           HN       GLN  57 -25.191  -2.703   3.303
  474    HA   GLN  57           HA       GLN  57 -27.545  -1.103   2.662
  475   1HB   GLN  57           HB2      GLN  57 -26.969   0.309   4.417
  476   2HB   GLN  57           HB1      GLN  57 -26.478  -1.277   4.992
  477   1HG   GLN  57           HG2      GLN  57 -24.174  -0.589   3.968
  478   2HG   GLN  57           HG1      GLN  57 -24.815   1.038   4.144
  479   1HE2  GLN  57          1HE2      GLN  57 -23.573  -1.726   5.694
  480   2HE2  GLN  57          2HE2      GLN  57 -23.503  -1.070   7.303
  481    H    ASN  58           HN       ASN  58 -24.015  -0.953   2.176
  482    HA   ASN  58           HA       ASN  58 -24.354   1.379   0.460
  483   1HB   ASN  58           HB2      ASN  58 -22.029   0.195   1.930
  484   2HB   ASN  58           HB1      ASN  58 -21.770   1.278   0.581
  485   1HD2  ASN  58          1HD2      ASN  58 -22.570   3.442   0.745
  486   2HD2  ASN  58          2HD2      ASN  58 -22.782   4.173   2.297
  487    H    ARG  59           HN       ARG  59 -24.794  -1.590  -0.009
  488    HA   ARG  59           HA       ARG  59 -23.257  -2.780  -1.850
  489   1HB   ARG  59           HB2      ARG  59 -25.267  -3.734  -2.812
  490   2HB   ARG  59           HB1      ARG  59 -25.448  -3.599  -1.069
  491   1HG   ARG  59           HG2      ARG  59 -26.639  -1.365  -1.599
  492   2HG   ARG  59           HG1      ARG  59 -26.783  -2.021  -3.230
  493   1HD   ARG  59           HD2      ARG  59 -27.927  -3.089  -0.668
  494   2HD   ARG  59           HD1      ARG  59 -28.779  -2.615  -2.135
  495    HE   ARG  59           HE       ARG  59 -27.426  -4.626  -3.103
  496   1HH1  ARG  59          1HH1      ARG  59 -29.009  -4.367  -0.005
  497   2HH1  ARG  59          2HH1      ARG  59 -29.237  -6.080   0.194
  498   1HH2  ARG  59          1HH2      ARG  59 -27.668  -6.896  -2.859
  499   2HH2  ARG  59          2HH2      ARG  59 -28.453  -7.531  -1.435
  500    H    GLY  60           HN       GLY  60 -22.697  -2.630  -3.928
  501   1HA   GLY  60           HA1      GLY  60 -24.038  -0.897  -5.794
  502   2HA   GLY  60           HA2      GLY  60 -22.629  -1.896  -6.119
  503    H    LYS  61           HN       LYS  61 -21.995  -0.015  -3.429
  504    HA   LYS  61           HA       LYS  61 -21.277   2.379  -4.899
  505   1HB   LYS  61           HB2      LYS  61 -20.971   1.739  -1.963
  506   2HB   LYS  61           HB1      LYS  61 -20.684   3.310  -2.703
  507   1HG   LYS  61           HG2      LYS  61 -23.314   1.846  -2.563
  508   2HG   LYS  61           HG1      LYS  61 -22.854   3.287  -1.655
  509   1HD   LYS  61           HD2      LYS  61 -22.839   4.627  -3.602
  510   2HD   LYS  61           HD1      LYS  61 -22.897   3.218  -4.663
  511   1HE   LYS  61           HE2      LYS  61 -25.096   4.064  -2.781
  512   2HE   LYS  61           HE1      LYS  61 -25.060   4.402  -4.510
  513   1HZ   LYS  61           HZ2      LYS  61 -25.037   2.007  -4.927
  514   2HZ   LYS  61           HZ1      LYS  61 -25.126   1.706  -3.260
  515   3HZ   LYS  61           HZ3      LYS  61 -26.412   2.468  -4.056
  516    HA   PRO  62           HA       PRO  62 -16.920   2.504  -5.719
  517   1HB   PRO  62           HB2      PRO  62 -16.800   3.545  -2.899
  518   2HB   PRO  62           HB1      PRO  62 -15.788   3.983  -4.275
  519   1HG   PRO  62           HG2      PRO  62 -17.940   5.441  -3.643
  520   2HG   PRO  62           HG1      PRO  62 -17.510   5.141  -5.338
  521   1HD   PRO  62           HD2      PRO  62 -19.801   4.142  -3.818
  522   2HD   PRO  62           HD1      PRO  62 -19.508   4.086  -5.569
  523    H    ASN  63           HN       ASN  63 -17.691   1.213  -2.510
  524    HA   ASN  63           HA       ASN  63 -15.163  -0.015  -2.070
  525   1HB   ASN  63           HB2      ASN  63 -17.466  -1.331  -0.809
  526   2HB   ASN  63           HB1      ASN  63 -16.037  -0.590  -0.088
  527   1HD2  ASN  63          1HD2      ASN  63 -19.252  -0.019  -1.269
  528   2HD2  ASN  63          2HD2      ASN  63 -19.493   1.498  -0.466
  529    H    TRP  64           HN       TRP  64 -18.169  -1.018  -3.498
  530    HA   TRP  64           HA       TRP  64 -17.173  -3.682  -4.069
  531   1HB   TRP  64           HB2      TRP  64 -19.821  -2.580  -4.937
  532   2HB   TRP  64           HB1      TRP  64 -19.385  -4.255  -4.579
  533    HD1  TRP  64           HD1      TRP  64 -21.375  -1.718  -3.106
  534    HE1  TRP  64           HE1      TRP  64 -21.495  -1.876  -0.553
  535    HE3  TRP  64           HE3      TRP  64 -17.446  -4.868  -2.330
  536    HZ2  TRP  64           HZ2      TRP  64 -20.093  -3.177   1.528
  537    HZ3  TRP  64           HZ3      TRP  64 -16.891  -5.518  -0.026
  538    HH2  TRP  64           HH2      TRP  64 -18.189  -4.687   1.864
  539    H    GLU  65           HN       GLU  65 -17.689  -0.602  -5.485
  540    HA   GLU  65           HA       GLU  65 -17.662  -1.083  -8.184
  541   1HB   GLU  65           HB2      GLU  65 -17.866   1.159  -7.553
  542   2HB   GLU  65           HB1      GLU  65 -16.490   1.078  -6.468
  543   1HG   GLU  65           HG2      GLU  65 -16.071   0.808  -9.410
  544   2HG   GLU  65           HG1      GLU  65 -16.330   2.402  -8.699
  545    H    HIS  66           HN       HIS  66 -14.883  -0.700  -6.049
  546    HA   HIS  66           HA       HIS  66 -13.167  -1.818  -8.109
  547   1HB   HIS  66           HB2      HIS  66 -11.342  -1.053  -6.609
  548   2HB   HIS  66           HB1      HIS  66 -12.421   0.227  -7.134
  549    HD1  HIS  66           HD1      HIS  66 -12.868   1.804  -5.335
  550    HD2  HIS  66           HD2      HIS  66 -12.534  -2.078  -3.911
  551    HE1  HIS  66           HE1      HIS  66 -13.043   1.991  -2.830
  552    HE2  HIS  66           HE2      HIS  66 -12.590  -0.344  -1.991
  553    H    LEU  67           HN       LEU  67 -15.015  -3.066  -5.730
  554    HA   LEU  67           HA       LEU  67 -13.339  -4.906  -4.414
  555   1HB   LEU  67           HB2      LEU  67 -15.733  -4.322  -3.846
  556   2HB   LEU  67           HB1      LEU  67 -16.230  -5.308  -5.201
  557    HG   LEU  67           HG       LEU  67 -16.414  -6.336  -2.883
  558   1HD1  LEU  67          1HD1      LEU  67 -14.819  -7.810  -4.969
  559   2HD1  LEU  67          3HD1      LEU  67 -15.679  -8.551  -3.619
  560   3HD1  LEU  67          2HD1      LEU  67 -16.576  -7.701  -4.877
  561   1HD2  LEU  67          3HD2      LEU  67 -14.275  -5.554  -2.025
  562   2HD2  LEU  67          2HD2      LEU  67 -14.399  -7.311  -1.945
  563   3HD2  LEU  67          1HD2      LEU  67 -13.431  -6.553  -3.209
  564    H    ASN  68           HN       ASN  68 -14.754  -4.766  -7.515
  565    HA   ASN  68           HA       ASN  68 -14.130  -7.525  -8.195
  566   1HB   ASN  68           HB2      ASN  68 -15.018  -6.727 -10.501
  567   2HB   ASN  68           HB1      ASN  68 -16.160  -6.901  -9.169
  568   1HD2  ASN  68          1HD2      ASN  68 -17.058  -5.072  -8.245
  569   2HD2  ASN  68          2HD2      ASN  68 -16.962  -3.503  -8.959
  570    H    GLU  69           HN       GLU  69 -12.409  -4.825  -7.904
  571    HA   GLU  69           HA       GLU  69 -10.598  -5.364 -10.147
  572   1HB   GLU  69           HB2      GLU  69 -10.761  -3.071  -8.179
  573   2HB   GLU  69           HB1      GLU  69  -9.470  -3.252  -9.359
  574   1HG   GLU  69           HG2      GLU  69 -12.389  -2.990 -10.038
  575   2HG   GLU  69           HG1      GLU  69 -11.225  -1.665 -10.049
  576    H    ASP  70           HN       ASP  70  -8.171  -4.779  -9.248
  577    HA   ASP  70           HA       ASP  70  -7.730  -6.797  -7.168
  578   1HB   ASP  70           HB2      ASP  70  -6.479  -7.053  -9.296
  579   2HB   ASP  70           HB1      ASP  70  -5.697  -5.502  -8.998
  580    H    LEU  71           HN       LEU  71  -6.568  -6.402  -5.337
  581    HA   LEU  71           HA       LEU  71  -7.085  -4.026  -4.009
  582   1HB   LEU  71           HB2      LEU  71  -6.639  -6.137  -2.891
  583   2HB   LEU  71           HB1      LEU  71  -4.975  -6.099  -3.440
  584    HG   LEU  71           HG       LEU  71  -4.463  -4.240  -2.010
  585   1HD1  LEU  71          3HD1      LEU  71  -7.400  -4.207  -1.333
  586   2HD1  LEU  71          2HD1      LEU  71  -6.156  -3.229  -0.554
  587   3HD1  LEU  71          1HD1      LEU  71  -6.528  -2.989  -2.262
  588   1HD2  LEU  71          1HD2      LEU  71  -4.457  -6.475  -0.994
  589   2HD2  LEU  71          3HD2      LEU  71  -4.875  -5.222   0.176
  590   3HD2  LEU  71          2HD2      LEU  71  -6.138  -6.249  -0.506
  591    H    HIS  72           HN       HIS  72  -6.309  -2.080  -4.425
  592    HA   HIS  72           HA       HIS  72  -3.426  -1.717  -4.458
  593   1HB   HIS  72           HB2      HIS  72  -3.443  -0.246  -6.400
  594   2HB   HIS  72           HB1      HIS  72  -3.980  -1.859  -6.839
  595    HD1  HIS  72           HD1      HIS  72  -6.382  -2.133  -7.684
  596    HD2  HIS  72           HD2      HIS  72  -5.471   1.770  -6.554
  597    HE1  HIS  72           HE1      HIS  72  -8.208  -0.690  -8.640
  598    HE2  HIS  72           HE2      HIS  72  -7.463   1.664  -8.206
  599    H    VAL  73           HN       VAL  73  -2.807   0.522  -3.994
  600    HA   VAL  73           HA       VAL  73  -4.917   1.843  -2.430
  601    HB   VAL  73           HB       VAL  73  -3.091   3.206  -1.434
  602   1HG1  VAL  73          3HG1      VAL  73  -2.733   0.219  -1.217
  603   2HG1  VAL  73          2HG1      VAL  73  -2.131   1.409  -0.062
  604   3HG1  VAL  73          1HG1      VAL  73  -3.868   1.208  -0.297
  605   1HG2  VAL  73          1HG2      VAL  73  -1.269   1.377  -2.995
  606   2HG2  VAL  73          3HG2      VAL  73  -1.473   3.111  -3.248
  607   3HG2  VAL  73          2HG2      VAL  73  -0.757   2.517  -1.751
  608    H    LEU  74           HN       LEU  74  -5.811   3.687  -3.110
  609    HA   LEU  74           HA       LEU  74  -4.579   4.965  -5.439
  610   1HB   LEU  74           HB2      LEU  74  -6.373   3.538  -6.201
  611   2HB   LEU  74           HB1      LEU  74  -7.484   4.222  -5.045
  612    HG   LEU  74           HG       LEU  74  -6.278   5.863  -7.274
  613   1HD1  LEU  74          1HD1      LEU  74  -8.812   4.232  -7.277
  614   2HD1  LEU  74          3HD1      LEU  74  -8.393   5.447  -8.484
  615   3HD1  LEU  74          2HD1      LEU  74  -7.401   3.998  -8.310
  616   1HD2  LEU  74          1HD2      LEU  74  -8.795   6.186  -5.637
  617   2HD2  LEU  74          3HD2      LEU  74  -7.313   7.123  -5.446
  618   3HD2  LEU  74          2HD2      LEU  74  -8.256   7.258  -6.930
  619    H    ILE  75           HN       ILE  75  -4.031   6.898  -5.024
  620    HA   ILE  75           HA       ILE  75  -5.338   8.477  -2.987
  621    HB   ILE  75           HB       ILE  75  -3.679  10.198  -4.329
  622   1HG1  ILE  75          2HG1      ILE  75  -2.251   7.548  -4.300
  623   2HG1  ILE  75          1HG1      ILE  75  -3.023   8.189  -5.745
  624   1HG2  ILE  75          2HG2      ILE  75  -2.967   8.351  -2.065
  625   2HG2  ILE  75          1HG2      ILE  75  -2.091   9.819  -2.502
  626   3HG2  ILE  75          3HG2      ILE  75  -3.756   9.923  -1.931
  627   1HD1  ILE  75          1HD1      ILE  75  -0.828   9.535  -4.203
  628   2HD1  ILE  75          3HD1      ILE  75  -0.634   8.625  -5.701
  629   3HD1  ILE  75          2HD1      ILE  75  -1.577  10.118  -5.694
  630    H    THR  76           HN       THR  76  -7.210   9.323  -3.457
  631    HA   THR  76           HA       THR  76  -7.805  10.191  -6.203
  632    HB   THR  76           HB       THR  76 -10.038  10.379  -4.371
  633    HG1  THR  76           HG1      THR  76  -9.238   8.745  -3.135
  634   1HG2  THR  76          3HG2      THR  76 -10.227  10.150  -6.791
  635   2HG2  THR  76          2HG2      THR  76  -9.497   8.545  -6.702
  636   3HG2  THR  76          1HG2      THR  76 -11.071   8.841  -5.963
  637    H    VAL  77           HN       VAL  77  -7.474  12.267  -6.552
  638    HA   VAL  77           HA       VAL  77  -7.887  14.112  -4.303
  639    HB   VAL  77           HB       VAL  77  -5.548  14.084  -4.835
  640   1HG1  VAL  77          1HG1      VAL  77  -5.683  13.152  -7.080
  641   2HG1  VAL  77          3HG1      VAL  77  -6.319  14.683  -7.682
  642   3HG1  VAL  77          2HG1      VAL  77  -4.678  14.600  -7.039
  643   1HG2  VAL  77          3HG2      VAL  77  -6.851  16.525  -6.014
  644   2HG2  VAL  77          2HG2      VAL  77  -6.483  16.253  -4.310
  645   3HG2  VAL  77          1HG2      VAL  77  -5.175  16.402  -5.484
  646    H    GLU  78           HN       GLU  78  -9.590  15.275  -4.514
  647    HA   GLU  78           HA       GLU  78 -10.568  16.004  -7.173
  648   1HB   GLU  78           HB2      GLU  78 -11.909  16.151  -4.461
  649   2HB   GLU  78           HB1      GLU  78 -12.659  16.609  -5.987
  650   1HG   GLU  78           HG2      GLU  78 -12.663  14.396  -6.771
  651   2HG   GLU  78           HG1      GLU  78 -11.553  13.863  -5.512
  652    H    ASP  79           HN       ASP  79  -9.311  17.645  -7.729
  653    HA   ASP  79           HA       ASP  79  -9.668  20.245  -6.699
  654   1HB   ASP  79           HB2      ASP  79  -8.190  19.208  -4.895
  655   2HB   ASP  79           HB1      ASP  79  -6.946  19.030  -6.127
  656    H    ALA  80           HN       ALA  80  -7.540  21.567  -7.715
  657    HA   ALA  80           HA       ALA  80  -7.572  21.161 -10.485
  658   1HB   ALA  80           HB3      ALA  80  -6.916  23.286  -9.468
  659   2HB   ALA  80           HB1      ALA  80  -5.679  22.699 -10.577
  660   3HB   ALA  80           HB2      ALA  80  -5.451  22.534  -8.835
  661    H    GLN  81           HN       GLN  81  -4.546  20.862  -8.614
  662    HA   GLN  81           HA       GLN  81  -4.290  18.142  -8.564
  663   1HB   GLN  81           HB2      GLN  81  -2.826  17.526 -10.398
  664   2HB   GLN  81           HB1      GLN  81  -4.351  18.136 -11.017
  665   1HG   GLN  81           HG2      GLN  81  -3.323  20.243 -11.582
  666   2HG   GLN  81           HG1      GLN  81  -1.800  19.727 -10.858
  667   1HE2  GLN  81          1HE2      GLN  81  -0.625  18.045 -11.852
  668   2HE2  GLN  81          2HE2      GLN  81  -0.821  17.717 -13.544
  669    H    ASN  82           HN       ASN  82  -2.400  21.117  -9.157
  670    HA   ASN  82           HA       ASN  82   0.098  19.914  -8.995
  671   1HB   ASN  82           HB2      ASN  82  -0.259  22.108  -9.976
  672   2HB   ASN  82           HB1      ASN  82  -0.632  22.776  -8.389
  673   1HD2  ASN  82          1HD2      ASN  82   1.861  21.549 -10.475
  674   2HD2  ASN  82          2HD2      ASN  82   3.201  22.127  -9.542
  675    H    ARG  83           HN       ARG  83  -1.333  21.938  -6.388
  676    HA   ARG  83           HA       ARG  83   0.832  21.246  -4.638
  677   1HB   ARG  83           HB2      ARG  83  -0.141  23.410  -4.346
  678   2HB   ARG  83           HB1      ARG  83  -1.752  22.732  -4.158
  679   1HG   ARG  83           HG2      ARG  83  -1.178  21.785  -2.034
  680   2HG   ARG  83           HG1      ARG  83   0.516  22.232  -2.244
  681   1HD   ARG  83           HD2      ARG  83  -1.719  24.243  -2.167
  682   2HD   ARG  83           HD1      ARG  83  -0.844  23.719  -0.729
  683    HE   ARG  83           HE       ARG  83   1.195  24.487  -2.187
  684   1HH1  ARG  83          1HH1      ARG  83  -1.945  26.022  -1.957
  685   2HH1  ARG  83          2HH1      ARG  83  -1.313  27.629  -2.158
  686   1HH2  ARG  83          1HH2      ARG  83   2.025  26.598  -2.442
  687   2HH2  ARG  83          2HH2      ARG  83   0.938  27.950  -2.458
  688    H    ALA  84           HN       ALA  84  -2.463  20.185  -5.089
  689    HA   ALA  84           HA       ALA  84  -2.671  18.728  -2.678
  690   1HB   ALA  84           HB2      ALA  84  -4.172  18.353  -5.263
  691   2HB   ALA  84           HB1      ALA  84  -4.639  17.722  -3.681
  692   3HB   ALA  84           HB3      ALA  84  -4.610  19.462  -3.963
  693    H    GLU  85           HN       GLU  85  -1.828  17.719  -6.006
  694    HA   GLU  85           HA       GLU  85  -1.498  14.984  -5.339
  695   1HB   GLU  85           HB2      GLU  85  -0.562  14.677  -7.489
  696   2HB   GLU  85           HB1      GLU  85  -1.797  15.908  -7.671
  697   1HG   GLU  85           HG2      GLU  85  -0.080  17.642  -7.671
  698   2HG   GLU  85           HG1      GLU  85   1.166  16.408  -7.504
  699    H    LEU  86           HN       LEU  86   0.646  17.754  -5.220
  700    HA   LEU  86           HA       LEU  86   3.054  16.407  -4.705
  701   1HB   LEU  86           HB2      LEU  86   2.803  18.843  -5.181
  702   2HB   LEU  86           HB1      LEU  86   2.137  19.052  -3.573
  703    HG   LEU  86           HG       LEU  86   4.293  18.220  -2.628
  704   1HD1  LEU  86          2HD1      LEU  86   5.196  18.411  -5.497
  705   2HD1  LEU  86          1HD1      LEU  86   6.253  18.181  -4.103
  706   3HD1  LEU  86          3HD1      LEU  86   5.074  16.941  -4.529
  707   1HD2  LEU  86          1HD2      LEU  86   4.466  20.639  -4.424
  708   2HD2  LEU  86          3HD2      LEU  86   3.818  20.603  -2.783
  709   3HD2  LEU  86          2HD2      LEU  86   5.530  20.284  -3.062
  710    H    LYS  87           HN       LYS  87   0.489  17.538  -2.542
  711    HA   LYS  87           HA       LYS  87   1.855  16.709  -0.181
  712   1HB   LYS  87           HB2      LYS  87   0.044  18.534  -0.452
  713   2HB   LYS  87           HB1      LYS  87  -1.104  17.207  -0.336
  714   1HG   LYS  87           HG2      LYS  87  -0.358  16.650   1.857
  715   2HG   LYS  87           HG1      LYS  87   0.999  17.772   1.738
  716   1HD   LYS  87           HD2      LYS  87  -0.575  19.651   1.612
  717   2HD   LYS  87           HD1      LYS  87  -1.925  18.520   1.747
  718   1HE   LYS  87           HE2      LYS  87  -1.106  17.809   3.940
  719   2HE   LYS  87           HE1      LYS  87   0.240  18.939   3.806
  720   1HZ   LYS  87           HZ2      LYS  87  -2.589  19.818   3.702
  721   2HZ   LYS  87           HZ1      LYS  87  -1.720  19.700   5.158
  722   3HZ   LYS  87           HZ3      LYS  87  -1.211  20.769   3.944
  723    H    LEU  88           HN       LEU  88  -0.688  15.265  -2.216
  724    HA   LEU  88           HA       LEU  88  -1.100  13.078  -0.452
  725   1HB   LEU  88           HB2      LEU  88  -2.234  11.955  -2.350
  726   2HB   LEU  88           HB1      LEU  88  -2.874  13.531  -1.948
  727    HG   LEU  88           HG       LEU  88  -1.462  14.408  -3.915
  728   1HD1  LEU  88          1HD1      LEU  88  -1.423  11.466  -4.506
  729   2HD1  LEU  88          3HD1      LEU  88  -1.088  12.725  -5.691
  730   3HD1  LEU  88          2HD1      LEU  88  -0.030  12.523  -4.293
  731   1HD2  LEU  88          1HD2      LEU  88  -3.888  14.214  -3.953
  732   2HD2  LEU  88          3HD2      LEU  88  -3.180  13.821  -5.518
  733   3HD2  LEU  88          2HD2      LEU  88  -3.745  12.531  -4.458
  734    H    LYS  89           HN       LYS  89   1.177  13.618  -3.091
  735    HA   LYS  89           HA       LYS  89   1.816  10.876  -3.413
  736   1HB   LYS  89           HB2      LYS  89   3.764  11.598  -4.667
  737   2HB   LYS  89           HB1      LYS  89   2.360  12.547  -5.139
  738   1HG   LYS  89           HG2      LYS  89   3.126  14.365  -3.694
  739   2HG   LYS  89           HG1      LYS  89   4.553  13.418  -3.278
  740   1HD   LYS  89           HD2      LYS  89   3.834  14.192  -6.093
  741   2HD   LYS  89           HD1      LYS  89   4.867  15.162  -5.045
  742   1HE   LYS  89           HE2      LYS  89   5.371  12.330  -5.950
  743   2HE   LYS  89           HE1      LYS  89   6.219  13.771  -6.505
  744   1HZ   LYS  89           HZ2      LYS  89   6.897  14.084  -4.109
  745   2HZ   LYS  89           HZ1      LYS  89   6.336  12.507  -3.824
  746   3HZ   LYS  89           HZ3      LYS  89   7.608  12.774  -4.914
  747    H    ARG  90           HN       ARG  90   3.231  13.431  -1.380
  748    HA   ARG  90           HA       ARG  90   5.309  11.747  -0.423
  749   1HB   ARG  90           HB2      ARG  90   5.581  13.366   1.419
  750   2HB   ARG  90           HB1      ARG  90   5.564  14.124  -0.163
  751   1HG   ARG  90           HG2      ARG  90   3.375  14.969   0.174
  752   2HG   ARG  90           HG1      ARG  90   3.160  13.999   1.635
  753   1HD   ARG  90           HD2      ARG  90   5.185  16.206   1.275
  754   2HD   ARG  90           HD1      ARG  90   3.659  16.349   2.152
  755    HE   ARG  90           HE       ARG  90   4.974  14.203   3.284
  756   1HH1  ARG  90          1HH1      ARG  90   5.642  17.617   2.852
  757   2HH1  ARG  90          2HH1      ARG  90   6.587  17.746   4.299
  758   1HH2  ARG  90          1HH2      ARG  90   6.201  14.366   5.183
  759   2HH2  ARG  90          2HH2      ARG  90   6.947  15.880   5.611
  760    H    ALA  91           HN       ALA  91   2.053  12.436   0.699
  761    HA   ALA  91           HA       ALA  91   2.190  10.948   3.103
  762   1HB   ALA  91           HB3      ALA  91  -0.222  11.592   1.408
  763   2HB   ALA  91           HB2      ALA  91  -0.237  11.085   3.096
  764   3HB   ALA  91           HB1      ALA  91   0.466  12.639   2.650
  765    H    VAL  92           HN       VAL  92   1.088  10.156  -0.162
  766    HA   VAL  92           HA       VAL  92   0.322   7.488   0.462
  767    HB   VAL  92           HB       VAL  92  -0.423   8.951  -1.533
  768   1HG1  VAL  92          1HG1      VAL  92   2.081   7.737  -2.703
  769   2HG1  VAL  92          3HG1      VAL  92   0.812   8.558  -3.618
  770   3HG1  VAL  92          2HG1      VAL  92   1.773   9.458  -2.437
  771   1HG2  VAL  92          1HG2      VAL  92   0.278   6.043  -1.898
  772   2HG2  VAL  92          3HG2      VAL  92  -1.186   6.689  -1.159
  773   3HG2  VAL  92          2HG2      VAL  92  -0.878   6.946  -2.878
  774    H    GLU  93           HN       GLU  93   3.314   8.996  -0.526
  775    HA   GLU  93           HA       GLU  93   4.759   6.678  -1.138
  776   1HB   GLU  93           HB2      GLU  93   5.452   9.431  -0.225
  777   2HB   GLU  93           HB1      GLU  93   6.701   8.201  -0.170
  778   1HG   GLU  93           HG2      GLU  93   6.521   7.824  -2.527
  779   2HG   GLU  93           HG1      GLU  93   5.110   8.875  -2.630
  780    H    GLU  94           HN       GLU  94   3.972   8.222   1.926
  781    HA   GLU  94           HA       GLU  94   5.518   6.514   3.573
  782   1HB   GLU  94           HB2      GLU  94   2.934   7.979   4.140
  783   2HB   GLU  94           HB1      GLU  94   3.893   7.157   5.363
  784   1HG   GLU  94           HG2      GLU  94   5.769   8.650   4.897
  785   2HG   GLU  94           HG1      GLU  94   4.808   9.472   3.669
  786    H    VAL  95           HN       VAL  95   2.253   6.314   2.260
  787    HA   VAL  95           HA       VAL  95   1.582   3.819   3.402
  788    HB   VAL  95           HB       VAL  95   0.577   4.999   0.799
  789   1HG1  VAL  95          2HG1      VAL  95   0.199   2.524   1.194
  790   2HG1  VAL  95          1HG1      VAL  95  -0.800   2.993   2.570
  791   3HG1  VAL  95          3HG1      VAL  95  -1.254   3.499   0.941
  792   1HG2  VAL  95          1HG2      VAL  95   0.215   6.512   2.681
  793   2HG2  VAL  95          3HG2      VAL  95  -1.310   5.827   2.118
  794   3HG2  VAL  95          2HG2      VAL  95  -0.556   5.211   3.589
  795    H    LYS  96           HN       LYS  96   3.308   4.723   0.451
  796    HA   LYS  96           HA       LYS  96   3.410   2.257  -0.817
  797   1HB   LYS  96           HB2      LYS  96   5.565   4.367  -0.659
  798   2HB   LYS  96           HB1      LYS  96   5.630   2.978  -1.731
  799   1HG   LYS  96           HG2      LYS  96   3.517   3.791  -2.784
  800   2HG   LYS  96           HG1      LYS  96   3.665   5.253  -1.802
  801   1HD   LYS  96           HD2      LYS  96   5.933   5.596  -2.781
  802   2HD   LYS  96           HD1      LYS  96   5.620   4.236  -3.860
  803   1HE   LYS  96           HE2      LYS  96   3.650   5.433  -4.742
  804   2HE   LYS  96           HE1      LYS  96   4.052   6.807  -3.713
  805   1HZ   LYS  96           HZ3      LYS  96   6.254   6.847  -4.887
  806   2HZ   LYS  96           HZ2      LYS  96   5.615   5.732  -5.990
  807   3HZ   LYS  96           HZ1      LYS  96   4.916   7.268  -5.843
  808    H    LYS  97           HN       LYS  97   5.261   3.435   1.933
  809    HA   LYS  97           HA       LYS  97   6.943   1.107   1.928
  810   1HB   LYS  97           HB2      LYS  97   7.728   3.341   2.738
  811   2HB   LYS  97           HB1      LYS  97   6.631   3.180   4.106
  812   1HG   LYS  97           HG2      LYS  97   7.983   1.735   5.186
  813   2HG   LYS  97           HG1      LYS  97   8.481   0.924   3.701
  814   1HD   LYS  97           HD2      LYS  97  10.394   2.023   4.648
  815   2HD   LYS  97           HD1      LYS  97   9.924   2.882   3.184
  816   1HE   LYS  97           HE2      LYS  97  10.488   4.461   4.923
  817   2HE   LYS  97           HE1      LYS  97   8.765   4.556   4.560
  818   1HZ   LYS  97           HZ2      LYS  97   9.826   2.935   6.803
  819   2HZ   LYS  97           HZ1      LYS  97   9.391   4.567   6.982
  820   3HZ   LYS  97           HZ3      LYS  97   8.224   3.424   6.526
  821    H    LEU  98           HN       LEU  98   4.148   2.222   3.770
  822    HA   LEU  98           HA       LEU  98   3.921  -0.033   5.454
  823   1HB   LEU  98           HB2      LEU  98   2.047   2.050   4.447
  824   2HB   LEU  98           HB1      LEU  98   1.345   0.590   5.108
  825    HG   LEU  98           HG       LEU  98   1.417   2.285   6.812
  826   1HD1  LEU  98          3HD1      LEU  98   3.497   0.158   7.270
  827   2HD1  LEU  98          2HD1      LEU  98   2.707   1.106   8.530
  828   3HD1  LEU  98          1HD1      LEU  98   1.759   0.004   7.531
  829   1HD2  LEU  98          3HD2      LEU  98   3.228   3.650   5.925
  830   2HD2  LEU  98          2HD2      LEU  98   3.520   3.231   7.613
  831   3HD2  LEU  98          1HD2      LEU  98   4.391   2.390   6.331
  832    H    LEU  99           HN       LEU  99   3.329   0.460   2.128
  833    HA   LEU  99           HA       LEU  99   1.492  -1.563   1.594
  834   1HB   LEU  99           HB2      LEU  99   3.467   0.001   0.049
  835   2HB   LEU  99           HB1      LEU  99   2.929  -1.520  -0.663
  836    HG   LEU  99           HG       LEU  99   1.136   0.736   0.201
  837   1HD1  LEU  99          1HD1      LEU  99   1.893  -0.269  -2.543
  838   2HD1  LEU  99          3HD1      LEU  99   0.677   0.961  -2.200
  839   3HD1  LEU  99          2HD1      LEU  99   2.374   1.275  -1.841
  840   1HD2  LEU  99          1HD2      LEU  99   0.823  -2.073  -0.551
  841   2HD2  LEU  99          3HD2      LEU  99  -0.179  -1.057   0.493
  842   3HD2  LEU  99          2HD2      LEU  99  -0.340  -0.939  -1.262
  843    H    VAL 100           HN       VAL 100   5.000  -1.601   1.527
  844    HA   VAL 100           HA       VAL 100   5.255  -3.990   0.167
  845    HB   VAL 100           HB       VAL 100   7.117  -2.626   2.106
  846   1HG1  VAL 100          1HG1      VAL 100   7.761  -4.970   1.941
  847   2HG1  VAL 100          3HG1      VAL 100   7.761  -4.859   0.180
  848   3HG1  VAL 100          2HG1      VAL 100   8.939  -3.944   1.123
  849   1HG2  VAL 100          3HG2      VAL 100   6.562  -1.313   0.141
  850   2HG2  VAL 100          2HG2      VAL 100   8.249  -1.826   0.089
  851   3HG2  VAL 100          1HG2      VAL 100   7.044  -2.648  -0.905
  852    HA   PRO 101           HA       PRO 101   3.752  -7.093   2.895
  853   1HB   PRO 101           HB2      PRO 101   5.500  -9.113   2.079
  854   2HB   PRO 101           HB1      PRO 101   3.958  -8.702   1.320
  855   1HG   PRO 101           HG2      PRO 101   6.723  -7.852   0.567
  856   2HG   PRO 101           HG1      PRO 101   5.372  -8.335  -0.477
  857   1HD   PRO 101           HD2      PRO 101   5.976  -5.766  -0.201
  858   2HD   PRO 101           HD1      PRO 101   4.275  -6.283  -0.208
  859    H    ALA 102           HN       ALA 102   7.202  -6.472   2.716
  860    HA   ALA 102           HA       ALA 102   8.659  -5.960   4.357
  861   1HB   ALA 102           HB2      ALA 102   8.004  -5.686   6.646
  862   2HB   ALA 102           HB1      ALA 102   6.757  -5.012   5.596
  863   3HB   ALA 102           HB3      ALA 102   6.512  -6.583   6.359
  864    H    ALA 103           HN       ALA 103   6.839  -8.873   4.737
  865    HA   ALA 103           HA       ALA 103   8.920 -10.223   6.205
  866   1HB   ALA 103           HB3      ALA 103   6.355 -11.278   5.025
  867   2HB   ALA 103           HB2      ALA 103   7.429 -12.160   6.112
  868   3HB   ALA 103           HB1      ALA 103   6.585 -10.721   6.683
  869    H    GLU 104           HN       GLU 104   9.067  -9.204   3.284
  870    HA   GLU 104           HA       GLU 104  10.225  -9.720   1.423
  871   1HB   GLU 104           HB2      GLU 104  11.836 -10.798   2.977
  872   2HB   GLU 104           HB1      GLU 104  10.963 -12.312   2.778
  873   1HG   GLU 104           HG2      GLU 104  12.857 -12.382   1.357
  874   2HG   GLU 104           HG1      GLU 104  11.436 -12.173   0.337
  875    H    GLY 105           HN       GLY 105   8.804 -12.737   2.592
  876   1HA   GLY 105           HA1      GLY 105   7.257 -12.875   0.088
  877   2HA   GLY 105           HA2      GLY 105   6.786 -13.616   1.609
  878    H    GLU 106           HN       GLU 106   9.085 -13.779  -1.039
  879    HA   GLU 106           HA       GLU 106   8.720 -16.426  -1.625
  880   1HB   GLU 106           HB2      GLU 106  11.266 -14.831  -1.957
  881   2HB   GLU 106           HB1      GLU 106  10.880 -16.315  -2.814
  882   1HG   GLU 106           HG2      GLU 106   9.116 -15.268  -4.008
  883   2HG   GLU 106           HG1      GLU 106   9.207 -13.826  -2.995
  884    H    ASP 107           HN       ASP 107   8.832 -18.037  -0.222
  885    HA   ASP 107           HA       ASP 107   9.648 -19.645   1.127
  886   1HB   ASP 107           HB2      ASP 107  12.213 -18.458   0.170
  887   2HB   ASP 107           HB1      ASP 107  12.244 -19.639   1.476
  888    H    SER 108           HN       SER 108  10.560 -16.397   1.820
  889    HA   SER 108           HA       SER 108  11.347 -16.714   4.492
  890   1HB   SER 108           HB2      SER 108  11.643 -14.680   3.017
  891   2HB   SER 108           HB1      SER 108   9.940 -14.327   3.296
  892    HG   SER 108           HG       SER 108  10.473 -13.498   5.138
  893    H    LEU 109           HN       LEU 109   8.222 -16.481   2.957
  894    HA   LEU 109           HA       LEU 109   6.563 -16.105   5.160
  895   1HB   LEU 109           HB2      LEU 109   6.123 -17.779   2.684
  896   2HB   LEU 109           HB1      LEU 109   4.860 -17.346   3.821
  897    HG   LEU 109           HG       LEU 109   6.483 -15.255   2.396
  898   1HD1  LEU 109          3HD1      LEU 109   3.986 -16.648   1.459
  899   2HD1  LEU 109          2HD1      LEU 109   4.544 -15.099   0.825
  900   3HD1  LEU 109          1HD1      LEU 109   5.542 -16.543   0.632
  901   1HD2  LEU 109          3HD2      LEU 109   5.223 -14.548   4.364
  902   2HD2  LEU 109          2HD2      LEU 109   4.545 -13.857   2.889
  903   3HD2  LEU 109          1HD2      LEU 109   3.749 -15.223   3.669
  904    H    LYS 110           HN       LYS 110   8.168 -18.985   3.980
  905    HA   LYS 110           HA       LYS 110   6.815 -20.774   5.774
  906   1HB   LYS 110           HB2      LYS 110   7.706 -21.458   3.546
  907   2HB   LYS 110           HB1      LYS 110   9.335 -21.199   4.156
  908   1HG   LYS 110           HG2      LYS 110   8.876 -23.530   4.242
  909   2HG   LYS 110           HG1      LYS 110   8.883 -22.918   5.899
  910   1HD   LYS 110           HD2      LYS 110   6.424 -22.786   5.833
  911   2HD   LYS 110           HD1      LYS 110   6.446 -23.469   4.207
  912   1HE   LYS 110           HE2      LYS 110   7.605 -25.467   5.144
  913   2HE   LYS 110           HE1      LYS 110   7.369 -24.787   6.754
  914   1HZ   LYS 110           HZ2      LYS 110   4.960 -24.794   6.318
  915   2HZ   LYS 110           HZ1      LYS 110   5.244 -25.566   4.835
  916   3HZ   LYS 110           HZ3      LYS 110   5.637 -26.351   6.287
  917    H    LYS 111           HN       LYS 111  10.090 -19.442   5.499
  918    HA   LYS 111           HA       LYS 111  11.136 -20.712   7.785
  919   1HB   LYS 111           HB2      LYS 111  12.070 -18.119   6.553
  920   2HB   LYS 111           HB1      LYS 111  13.017 -19.205   7.557
  921   1HG   LYS 111           HG2      LYS 111  11.958 -19.798   4.802
  922   2HG   LYS 111           HG1      LYS 111  13.627 -19.422   5.223
  923   1HD   LYS 111           HD2      LYS 111  13.669 -21.456   6.650
  924   2HD   LYS 111           HD1      LYS 111  12.044 -21.844   6.079
  925   1HE   LYS 111           HE2      LYS 111  12.893 -21.909   3.770
  926   2HE   LYS 111           HE1      LYS 111  14.516 -21.567   4.370
  927   1HZ   LYS 111           HZ1      LYS 111  14.312 -23.644   5.714
  928   2HZ   LYS 111           HZ3      LYS 111  12.880 -23.990   4.871
  929   3HZ   LYS 111           HZ2      LYS 111  14.355 -23.889   4.039
  930    H    MET 112           HN       MET 112   9.692 -17.530   7.295
  931    HA   MET 112           HA       MET 112  10.266 -16.597   9.913
  932   1HB   MET 112           HB2      MET 112   8.399 -15.576   7.782
  933   2HB   MET 112           HB1      MET 112   8.585 -14.786   9.342
  934   1HG   MET 112           HG2      MET 112  10.998 -14.527   8.880
  935   2HG   MET 112           HG1      MET 112  10.734 -15.220   7.280
  936   1HE   MET 112           HE1      MET 112  10.001 -12.212   9.688
  937   2HE   MET 112           HE3      MET 112   8.932 -11.208   8.708
  938   3HE   MET 112           HE2      MET 112   8.377 -12.775   9.295
  939    H    LYS 113           HN       LYS 113   7.678 -18.517   8.623
  940    HA   LYS 113           HA       LYS 113   5.916 -18.012  10.824
  941   1HB   LYS 113           HB2      LYS 113   5.784 -19.476   8.401
  942   2HB   LYS 113           HB1      LYS 113   5.468 -20.614   9.706
  943   1HG   LYS 113           HG2      LYS 113   4.042 -18.028   9.845
  944   2HG   LYS 113           HG1      LYS 113   3.568 -19.123   8.548
  945   1HD   LYS 113           HD2      LYS 113   2.161 -19.500  10.480
  946   2HD   LYS 113           HD1      LYS 113   3.194 -20.902  10.218
  947   1HE   LYS 113           HE2      LYS 113   4.673 -20.175  12.007
  948   2HE   LYS 113           HE1      LYS 113   3.701 -18.720  12.251
  949   1HZ   LYS 113           HZ3      LYS 113   2.689 -21.499  12.588
  950   2HZ   LYS 113           HZ2      LYS 113   3.216 -20.507  13.854
  951   3HZ   LYS 113           HZ1      LYS 113   1.856 -20.067  12.951
  952    H    LEU 114           HN       LEU 114   8.559 -20.219  10.211
  953    HA   LEU 114           HA       LEU 114   7.831 -21.904  12.431
  954   1HB   LEU 114           HB2      LEU 114  10.273 -21.950  10.662
  955   2HB   LEU 114           HB1      LEU 114   9.853 -23.175  11.844
  956    HG   LEU 114           HG       LEU 114   8.217 -22.501   9.394
  957   1HD1  LEU 114          2HD1      LEU 114  10.028 -24.838   9.980
  958   2HD1  LEU 114          1HD1      LEU 114   8.965 -24.693   8.580
  959   3HD1  LEU 114          3HD1      LEU 114  10.308 -23.570   8.784
  960   1HD2  LEU 114          3HD2      LEU 114   6.873 -23.318  11.274
  961   2HD2  LEU 114          2HD2      LEU 114   6.946 -24.495   9.961
  962   3HD2  LEU 114          1HD2      LEU 114   7.927 -24.725  11.408
  963    H    MET 115           HN       MET 115  10.860 -20.166  11.638
  964    HA   MET 115           HA       MET 115  11.465 -20.150  14.502
  965   1HB   MET 115           HB2      MET 115  13.086 -21.065  12.780
  966   2HB   MET 115           HB1      MET 115  13.335 -19.407  12.258
  967   1HG   MET 115           HG2      MET 115  13.740 -20.229  15.111
  968   2HG   MET 115           HG1      MET 115  15.007 -20.423  13.901
  969   1HE   MET 115           HE3      MET 115  16.091 -18.413  12.572
  970   2HE   MET 115           HE2      MET 115  14.495 -17.859  12.060
  971   3HE   MET 115           HE1      MET 115  15.630 -16.724  12.790
  972    H    GLU 116           HN       GLU 116  11.436 -17.925  11.736
  973    HA   GLU 116           HA       GLU 116  12.361 -15.665  13.125
  974   1HB   GLU 116           HB2      GLU 116  10.670 -15.716  10.634
  975   2HB   GLU 116           HB1      GLU 116  11.681 -14.388  11.180
  976   1HG   GLU 116           HG2      GLU 116  12.911 -17.052  10.657
  977   2HG   GLU 116           HG1      GLU 116  12.498 -16.001   9.308
  978    H    LEU 117           HN       LEU 117   9.383 -17.170  13.331
  979    HA   LEU 117           HA       LEU 117   7.546 -15.070  13.418
  980   1HB   LEU 117           HB2      LEU 117   7.330 -17.729  13.518
  981   2HB   LEU 117           HB1      LEU 117   7.203 -17.411  15.235
  982    HG   LEU 117           HG       LEU 117   5.020 -17.652  13.962
  983   1HD1  LEU 117          1HD1      LEU 117   5.152 -16.642  16.194
  984   2HD1  LEU 117          3HD1      LEU 117   5.451 -15.068  15.460
  985   3HD1  LEU 117          2HD1      LEU 117   3.909 -15.882  15.201
  986   1HD2  LEU 117          1HD2      LEU 117   5.654 -16.385  11.980
  987   2HD2  LEU 117          3HD2      LEU 117   4.220 -15.702  12.746
  988   3HD2  LEU 117          2HD2      LEU 117   5.786 -14.917  12.948
  989    H    ALA 118           HN       ALA 118   9.711 -16.365  15.853
  990    HA   ALA 118           HA       ALA 118  10.560 -15.481  17.754
  991   1HB   ALA 118           HB3      ALA 118  10.569 -13.086  18.065
  992   2HB   ALA 118           HB2      ALA 118  10.858 -13.454  16.366
  993   3HB   ALA 118           HB1      ALA 118   9.270 -12.893  16.886
  994    H    ILE 119           HN       ILE 119   8.599 -16.982  18.287
  995    HA   ILE 119           HA       ILE 119   6.317 -15.823  19.472
  996    HB   ILE 119           HB       ILE 119   5.715 -17.959  20.223
  997   1HG1  ILE 119          2HG1      ILE 119   7.858 -18.532  21.366
  998   2HG1  ILE 119          1HG1      ILE 119   7.169 -19.871  20.458
  999   1HG2  ILE 119          3HG2      ILE 119   7.274 -18.247  17.669
 1000   2HG2  ILE 119          2HG2      ILE 119   6.076 -19.404  18.251
 1001   3HG2  ILE 119          1HG2      ILE 119   5.588 -17.759  17.844
 1002   1HD1  ILE 119          1HD1      ILE 119   8.782 -19.378  18.631
 1003   2HD1  ILE 119          3HD1      ILE 119   9.519 -18.161  19.676
 1004   3HD1  ILE 119          2HD1      ILE 119   9.536 -19.859  20.151
 1005    H    LEU 120           HN       LEU 120   5.730 -16.050  21.772
 1006    HA   LEU 120           HA       LEU 120   7.755 -14.731  23.320
 1007   1HB   LEU 120           HB2      LEU 120   4.924 -15.546  23.924
 1008   2HB   LEU 120           HB1      LEU 120   5.965 -14.847  25.146
 1009    HG   LEU 120           HG       LEU 120   4.602 -13.099  24.304
 1010   1HD1  LEU 120          1HD1      LEU 120   6.931 -12.508  24.704
 1011   2HD1  LEU 120          3HD1      LEU 120   7.317 -12.876  23.023
 1012   3HD1  LEU 120          2HD1      LEU 120   6.232 -11.541  23.406
 1013   1HD2  LEU 120          3HD2      LEU 120   5.491 -13.907  21.539
 1014   2HD2  LEU 120          2HD2      LEU 120   3.879 -14.121  22.222
 1015   3HD2  LEU 120          1HD2      LEU 120   4.504 -12.497  21.929
 1016    H    ASN 121           HN       ASN 121   9.392 -16.162  23.657
 1017    HA   ASN 121           HA       ASN 121   8.747 -18.529  25.292
 1018   1HB   ASN 121           HB2      ASN 121  10.668 -19.644  24.353
 1019   2HB   ASN 121           HB1      ASN 121   9.701 -19.011  23.029
 1020   1HD2  ASN 121          1HD2      ASN 121  10.481 -17.258  21.823
 1021   2HD2  ASN 121          2HD2      ASN 121  12.162 -16.834  21.836
 1022    H    GLY 122           HN       GLY 122   9.621 -15.558  25.805
 1023   1HA   GLY 122           HA1      GLY 122  11.431 -16.294  27.994
 1024   2HA   GLY 122           HA2      GLY 122  10.466 -14.827  27.904
 1025    H    THR 123           HN       THR 123  12.702 -16.268  25.552
 1026    HA   THR 123           HA       THR 123  14.872 -14.567  25.983
 1027    HB   THR 123           HB       THR 123  14.067 -15.785  23.336
 1028    HG1  THR 123           HG1      THR 123  14.256 -17.609  24.386
 1029   1HG2  THR 123          1HG2      THR 123  16.769 -15.088  24.503
 1030   2HG2  THR 123          3HG2      THR 123  16.495 -15.879  22.952
 1031   3HG2  THR 123          2HG2      THR 123  15.946 -14.222  23.205
 1032    H    TYR 124           HN       TYR 124  12.329 -14.341  23.491
 1033    HA   TYR 124           HA       TYR 124  12.872 -11.456  23.339
 1034   1HB   TYR 124           HB2      TYR 124  11.671 -13.333  21.303
 1035   2HB   TYR 124           HB1      TYR 124  11.632 -11.579  21.142
 1036    HD1  TYR 124           HD1      TYR 124  13.593 -14.563  20.686
 1037    HD2  TYR 124           HD2      TYR 124  13.823 -10.329  21.030
 1038    HE1  TYR 124           HE1      TYR 124  15.835 -14.608  19.676
 1039    HE2  TYR 124           HE2      TYR 124  16.060 -10.360  20.016
 1040    HH   TYR 124           HH       TYR 124  17.323 -13.053  18.428
 1041    H    ARG 125           HN       ARG 125  11.661 -10.984  25.145
 1042    HA   ARG 125           HA       ARG 125   8.828 -11.590  25.148
 1043   1HB   ARG 125           HB2      ARG 125  10.169 -11.728  27.238
 1044   2HB   ARG 125           HB1      ARG 125  10.484 -10.004  27.118
 1045   1HG   ARG 125           HG2      ARG 125   8.144  -9.509  27.421
 1046   2HG   ARG 125           HG1      ARG 125   7.752 -11.231  27.423
 1047   1HD   ARG 125           HD2      ARG 125   9.073 -11.548  29.436
 1048   2HD   ARG 125           HD1      ARG 125   9.539  -9.848  29.417
 1049    HE   ARG 125           HE       ARG 125   6.866  -9.682  29.501
 1050   1HH1  ARG 125          1HH1      ARG 125   9.119 -11.615  31.356
 1051   2HH1  ARG 125          2HH1      ARG 125   8.152 -11.587  32.803
 1052   1HH2  ARG 125          1HH2      ARG 125   5.584  -9.648  31.368
 1053   2HH2  ARG 125          2HH2      ARG 125   6.130 -10.449  32.817
 1054    H    ASP 126           HN       ASP 126  10.900  -9.320  23.909
 1055    HA   ASP 126           HA       ASP 126   9.511  -6.905  24.075
 1056   1HB   ASP 126           HB2      ASP 126  11.755  -6.983  23.204
 1057   2HB   ASP 126           HB1      ASP 126  11.260  -8.057  21.899
 1058    H    ALA 127           HN       ALA 127   9.018  -9.706  22.052
 1059    HA   ALA 127           HA       ALA 127   7.238  -8.446  20.212
 1060   1HB   ALA 127           HB1      ALA 127   6.898 -10.671  19.317
 1061   2HB   ALA 127           HB2      ALA 127   7.688 -11.379  20.726
 1062   3HB   ALA 127           HB3      ALA 127   8.616 -10.385  19.604
 1063    H    ASN 128           HN       ASN 128   6.801  -9.006  23.353
 1064    HA   ASN 128           HA       ASN 128   4.225 -10.206  23.454
 1065   1HB   ASN 128           HB2      ASN 128   5.687 -10.050  25.436
 1066   2HB   ASN 128           HB1      ASN 128   5.559  -8.295  25.397
 1067   1HD2  ASN 128          1HD2      ASN 128   3.998 -11.269  26.205
 1068   2HD2  ASN 128          2HD2      ASN 128   2.644 -10.574  27.032
 1069    H    LEU 129           HN       LEU 129   5.431  -6.937  23.062
 1070    HA   LEU 129           HA       LEU 129   2.693  -5.889  23.024
 1071   1HB   LEU 129           HB2      LEU 129   5.364  -4.486  23.130
 1072   2HB   LEU 129           HB1      LEU 129   3.840  -3.646  22.940
 1073    HG   LEU 129           HG       LEU 129   4.403  -3.441  25.212
 1074   1HD1  LEU 129          2HD1      LEU 129   2.417  -5.688  24.945
 1075   2HD1  LEU 129          1HD1      LEU 129   2.652  -4.707  26.392
 1076   3HD1  LEU 129          3HD1      LEU 129   2.075  -3.960  24.902
 1077   1HD2  LEU 129          1HD2      LEU 129   4.931  -6.408  25.265
 1078   2HD2  LEU 129          3HD2      LEU 129   6.140  -5.127  25.339
 1079   3HD2  LEU 129          2HD2      LEU 129   4.988  -5.330  26.659
 1080    H    LYS 130           HN       LYS 130   1.841  -4.852  21.255
 1081    HA   LYS 130           HA       LYS 130   3.373  -5.046  18.766
 1082   1HB   LYS 130           HB2      LYS 130   0.369  -5.177  19.087
 1083   2HB   LYS 130           HB1      LYS 130   1.257  -5.325  17.577
 1084   1HG   LYS 130           HG2      LYS 130   2.312  -7.385  18.436
 1085   2HG   LYS 130           HG1      LYS 130   1.319  -7.254  19.890
 1086   1HD   LYS 130           HD2      LYS 130  -0.703  -7.338  18.458
 1087   2HD   LYS 130           HD1      LYS 130   0.339  -7.588  17.057
 1088   1HE   LYS 130           HE2      LYS 130   1.227  -9.632  18.141
 1089   2HE   LYS 130           HE1      LYS 130   0.070  -9.399  19.452
 1090   1HZ   LYS 130           HZ2      LYS 130  -1.703  -9.482  17.713
 1091   2HZ   LYS 130           HZ1      LYS 130  -0.519  -9.971  16.603
 1092   3HZ   LYS 130           HZ3      LYS 130  -0.871 -10.944  17.950
 1093    H    SER 131           HN       SER 131   2.155  -3.449  17.064
 1094    HA   SER 131           HA       SER 131   2.754  -0.867  17.924
 1095   1HB   SER 131           HB2      SER 131   1.366  -0.206  15.824
 1096   2HB   SER 131           HB1      SER 131   2.872  -1.102  15.638
 1097    HG   SER 131           HG       SER 131   1.718  -2.517  14.626
 1098    HA   PRO 132           HA       PRO 132  -1.963  -0.033  18.642
 1099   1HB   PRO 132           HB2      PRO 132  -3.526  -2.171  19.223
 1100   2HB   PRO 132           HB1      PRO 132  -3.332  -1.544  17.581
 1101   1HG   PRO 132           HG2      PRO 132  -1.966  -3.864  18.894
 1102   2HG   PRO 132           HG1      PRO 132  -2.669  -3.755  17.270
 1103   1HD   PRO 132           HD2      PRO 132  -0.020  -3.518  17.705
 1104   2HD   PRO 132           HD1      PRO 132  -0.850  -2.619  16.420
 1105    H    ALA 133           HN       ALA 133   0.302  -1.819  20.217
 1106    HA   ALA 133           HA       ALA 133  -0.925  -1.292  22.844
 1107   1HB   ALA 133           HB3      ALA 133  -0.537  -3.680  22.482
 1108   2HB   ALA 133           HB1      ALA 133   0.504  -3.054  23.759
 1109   3HB   ALA 133           HB2      ALA 133   1.165  -3.360  22.152
 1110    H    LEU 134           HN       LEU 134   0.778   0.266  20.838
 1111    HA   LEU 134           HA       LEU 134   2.181   2.028  20.990
 1112   1HB   LEU 134           HB2      LEU 134   2.485   1.257  23.893
 1113   2HB   LEU 134           HB1      LEU 134   3.151   2.706  23.161
 1114    HG   LEU 134           HG       LEU 134   0.204   2.068  23.336
 1115   1HD1  LEU 134          2HD1      LEU 134   1.895   3.963  24.961
 1116   2HD1  LEU 134          1HD1      LEU 134   0.137   3.825  25.041
 1117   3HD1  LEU 134          3HD1      LEU 134   1.152   2.471  25.537
 1118   1HD2  LEU 134          2HD2      LEU 134   1.668   4.561  22.469
 1119   2HD2  LEU 134          1HD2      LEU 134   0.753   3.471  21.427
 1120   3HD2  LEU 134          3HD2      LEU 134  -0.079   4.414  22.663

  No H/Q in entry =        1120
  Start of MODEL   13
    1    H1   GLN   1           HT2      GLN   1 -11.635  13.798 -12.241
    2    H2   GLN   1           HT1      GLN   1 -12.342  15.124 -11.455
    3    H3   GLN   1           HT3      GLN   1 -11.164  15.376 -12.647
    4    HA   GLN   1           HA       GLN   1 -10.108  15.730 -10.601
    5   1HB   GLN   1           HB2      GLN   1 -10.158  14.177  -8.784
    6   2HB   GLN   1           HB1      GLN   1 -11.823  14.457  -9.258
    7   1HG   GLN   1           HG2      GLN   1 -11.826  12.333 -10.447
    8   2HG   GLN   1           HG1      GLN   1 -10.142  12.107  -9.994
    9   1HE2  GLN   1          1HE2      GLN   1 -12.502  10.486  -9.386
   10   2HE2  GLN   1          2HE2      GLN   1 -12.555  10.370  -7.667
   11    H    LEU   2           HN       LEU   2  -8.305  14.013  -9.592
   12    HA   LEU   2           HA       LEU   2  -7.248  12.505 -11.870
   13   1HB   LEU   2           HB2      LEU   2  -5.671  14.131 -11.921
   14   2HB   LEU   2           HB1      LEU   2  -6.064  14.697 -10.312
   15    HG   LEU   2           HG       LEU   2  -4.772  12.730  -9.428
   16   1HD1  LEU   2          1HD1      LEU   2  -4.748  11.383 -11.479
   17   2HD1  LEU   2          3HD1      LEU   2  -3.765  12.616 -12.273
   18   3HD1  LEU   2          2HD1      LEU   2  -3.114  11.713 -10.905
   19   1HD2  LEU   2          3HD2      LEU   2  -3.902  15.008  -9.421
   20   2HD2  LEU   2          2HD2      LEU   2  -2.616  13.837  -9.718
   21   3HD2  LEU   2          1HD2      LEU   2  -3.276  14.781 -11.054
   22    H    GLN   3           HN       GLN   3  -6.692  10.444 -11.370
   23    HA   GLN   3           HA       GLN   3  -6.487   9.746  -8.508
   24   1HB   GLN   3           HB2      GLN   3  -7.431   7.818 -10.618
   25   2HB   GLN   3           HB1      GLN   3  -7.529   7.654  -8.874
   26   1HG   GLN   3           HG2      GLN   3  -9.163   9.588  -8.929
   27   2HG   GLN   3           HG1      GLN   3  -9.206   9.362 -10.681
   28   1HE2  GLN   3          1HE2      GLN   3  -8.733   6.443 -10.281
   29   2HE2  GLN   3          2HE2      GLN   3 -10.250   5.792  -9.783
   30    H    GLU   4           HN       GLU   4  -4.685   8.619  -7.948
   31    HA   GLU   4           HA       GLU   4  -3.155   7.391 -10.149
   32   1HB   GLU   4           HB2      GLU   4  -1.932   8.117  -7.504
   33   2HB   GLU   4           HB1      GLU   4  -1.131   7.822  -9.041
   34   1HG   GLU   4           HG2      GLU   4  -2.700   9.959  -9.643
   35   2HG   GLU   4           HG1      GLU   4  -2.293  10.257  -7.950
   36    H    LYS   5           HN       LYS   5  -2.679   5.242  -9.963
   37    HA   LYS   5           HA       LYS   5  -3.829   3.933  -7.593
   38   1HB   LYS   5           HB2      LYS   5  -3.608   2.484 -10.196
   39   2HB   LYS   5           HB1      LYS   5  -4.683   2.184  -8.856
   40   1HG   LYS   5           HG2      LYS   5  -6.082   2.974 -10.530
   41   2HG   LYS   5           HG1      LYS   5  -5.831   4.355  -9.461
   42   1HD   LYS   5           HD2      LYS   5  -4.290   5.347 -10.976
   43   2HD   LYS   5           HD1      LYS   5  -4.253   3.898 -11.992
   44   1HE   LYS   5           HE2      LYS   5  -6.640   4.265 -12.511
   45   2HE   LYS   5           HE1      LYS   5  -6.604   5.742 -11.546
   46   1HZ   LYS   5           HZ3      LYS   5  -4.759   6.486 -13.081
   47   2HZ   LYS   5           HZ2      LYS   5  -5.181   5.185 -14.083
   48   3HZ   LYS   5           HZ1      LYS   5  -6.313   6.409 -13.765
   49    H    LEU   6           HN       LEU   6  -2.337   3.087  -6.400
   50    HA   LEU   6           HA       LEU   6   0.114   2.111  -7.680
   51   1HB   LEU   6           HB2      LEU   6  -0.325   2.702  -4.755
   52   2HB   LEU   6           HB1      LEU   6   1.207   2.503  -5.593
   53    HG   LEU   6           HG       LEU   6  -0.722   4.769  -6.130
   54   1HD1  LEU   6          2HD1      LEU   6   0.156   4.898  -3.842
   55   2HD1  LEU   6          1HD1      LEU   6   1.802   4.797  -4.473
   56   3HD1  LEU   6          3HD1      LEU   6   0.788   6.188  -4.866
   57   1HD2  LEU   6          2HD2      LEU   6   0.756   4.219  -7.995
   58   2HD2  LEU   6          1HD2      LEU   6   1.164   5.785  -7.291
   59   3HD2  LEU   6          3HD2      LEU   6   2.159   4.371  -6.937
   60    H    TYR   7           HN       TYR   7  -0.405   0.101  -8.253
   61    HA   TYR   7           HA       TYR   7  -2.248  -1.492  -6.782
   62   1HB   TYR   7           HB2      TYR   7  -0.614  -1.853  -9.245
   63   2HB   TYR   7           HB1      TYR   7  -1.233  -3.298  -8.449
   64    HD1  TYR   7           HD1      TYR   7  -3.514  -3.927  -8.678
   65    HD2  TYR   7           HD2      TYR   7  -2.203  -0.118 -10.041
   66    HE1  TYR   7           HE1      TYR   7  -5.677  -3.592  -9.804
   67    HE2  TYR   7           HE2      TYR   7  -4.354   0.232 -11.169
   68    HH   TYR   7           HH       TYR   7  -7.067  -1.643 -10.583
   69    H    VAL   8           HN       VAL   8  -1.956  -2.928  -5.265
   70    HA   VAL   8           HA       VAL   8   0.695  -4.180  -5.010
   71    HB   VAL   8           HB       VAL   8  -0.032  -4.590  -2.570
   72   1HG1  VAL   8          1HG1      VAL   8   0.648  -1.796  -3.470
   73   2HG1  VAL   8          3HG1      VAL   8   0.819  -2.409  -1.824
   74   3HG1  VAL   8          2HG1      VAL   8   1.789  -3.098  -3.127
   75   1HG2  VAL   8          1HG2      VAL   8  -1.961  -2.411  -3.355
   76   2HG2  VAL   8          3HG2      VAL   8  -2.322  -3.991  -2.643
   77   3HG2  VAL   8          2HG2      VAL   8  -1.511  -2.752  -1.681
   78    HA   PRO   9           HA       PRO   9  -2.128  -7.296  -6.355
   79   1HB   PRO   9           HB2      PRO   9  -0.366  -9.277  -6.838
   80   2HB   PRO   9           HB1      PRO   9  -0.522  -7.869  -7.894
   81   1HG   PRO   9           HG2      PRO   9   1.520  -8.458  -5.795
   82   2HG   PRO   9           HG1      PRO   9   1.734  -7.710  -7.391
   83   1HD   PRO   9           HD2      PRO   9   1.601  -6.289  -5.042
   84   2HD   PRO   9           HD1      PRO   9   1.165  -5.623  -6.629
   85    H    VAL  10           HN       VAL  10  -3.224  -7.579  -4.451
   86    HA   VAL  10           HA       VAL  10  -2.151  -8.880  -2.190
   87    HB   VAL  10           HB       VAL  10  -4.143  -7.283  -2.345
   88   1HG1  VAL  10          1HG1      VAL  10  -5.461  -8.499  -3.974
   89   2HG1  VAL  10          3HG1      VAL  10  -5.625  -9.848  -2.849
   90   3HG1  VAL  10          2HG1      VAL  10  -6.352  -8.285  -2.467
   91   1HG2  VAL  10          3HG2      VAL  10  -3.372  -8.293  -0.275
   92   2HG2  VAL  10          2HG2      VAL  10  -5.128  -8.140  -0.302
   93   3HG2  VAL  10          1HG2      VAL  10  -4.371  -9.712  -0.589
   94    H    LYS  11           HN       LYS  11  -3.603  -9.996  -5.112
   95    HA   LYS  11           HA       LYS  11  -4.152 -12.664  -4.372
   96   1HB   LYS  11           HB2      LYS  11  -3.327 -11.439  -7.003
   97   2HB   LYS  11           HB1      LYS  11  -3.676 -13.151  -6.826
   98   1HG   LYS  11           HG2      LYS  11  -5.946 -12.435  -5.946
   99   2HG   LYS  11           HG1      LYS  11  -5.547 -10.827  -6.553
  100   1HD   LYS  11           HD2      LYS  11  -5.295 -11.655  -8.787
  101   2HD   LYS  11           HD1      LYS  11  -5.457 -13.325  -8.241
  102   1HE   LYS  11           HE2      LYS  11  -7.765 -12.799  -7.501
  103   2HE   LYS  11           HE1      LYS  11  -7.585 -11.190  -8.198
  104   1HZ   LYS  11           HZ2      LYS  11  -7.379 -13.745  -9.700
  105   2HZ   LYS  11           HZ1      LYS  11  -8.730 -12.715  -9.698
  106   3HZ   LYS  11           HZ3      LYS  11  -7.262 -12.187 -10.363
  107    H    GLU  12           HN       GLU  12  -1.260 -10.947  -5.297
  108    HA   GLU  12           HA       GLU  12   0.389 -13.252  -5.651
  109   1HB   GLU  12           HB2      GLU  12   1.043 -10.327  -5.315
  110   2HB   GLU  12           HB1      GLU  12   2.237 -11.576  -5.664
  111   1HG   GLU  12           HG2      GLU  12  -0.064 -10.750  -7.414
  112   2HG   GLU  12           HG1      GLU  12   1.650 -10.463  -7.704
  113    H    TYR  13           HN       TYR  13  -0.507 -11.196  -3.033
  114    HA   TYR  13           HA       TYR  13   1.271 -12.717  -1.253
  115   1HB   TYR  13           HB2      TYR  13   0.513  -9.811  -0.874
  116   2HB   TYR  13           HB1      TYR  13   1.671 -10.744   0.076
  117    HD1  TYR  13           HD1      TYR  13   3.832 -11.372  -0.877
  118    HD2  TYR  13           HD2      TYR  13   1.121  -8.880  -2.993
  119    HE1  TYR  13           HE1      TYR  13   5.663 -10.658  -2.336
  120    HE2  TYR  13           HE2      TYR  13   2.951  -8.144  -4.478
  121    HH   TYR  13           HH       TYR  13   5.403  -8.003  -4.451
  122    HA   PRO  14           HA       PRO  14  -3.172 -13.183  -0.029
  123   1HB   PRO  14           HB2      PRO  14  -2.356 -15.938   0.564
  124   2HB   PRO  14           HB1      PRO  14  -3.648 -15.353  -0.488
  125   1HG   PRO  14           HG2      PRO  14  -1.418 -16.496  -1.473
  126   2HG   PRO  14           HG1      PRO  14  -2.263 -15.189  -2.323
  127   1HD   PRO  14           HD2      PRO  14   0.207 -15.062  -0.634
  128   2HD   PRO  14           HD1      PRO  14  -0.141 -14.262  -2.183
  129    H    ASP  15           HN       ASP  15  -0.145 -14.028   1.463
  130    HA   ASP  15           HA       ASP  15  -1.314 -14.290   4.109
  131   1HB   ASP  15           HB2      ASP  15   0.538 -15.765   3.472
  132   2HB   ASP  15           HB1      ASP  15   1.572 -14.371   3.191
  133    H    PHE  16           HN       PHE  16  -0.183 -11.808   2.115
  134    HA   PHE  16           HA       PHE  16   0.302 -10.065   4.434
  135   1HB   PHE  16           HB2      PHE  16   2.115 -10.341   2.610
  136   2HB   PHE  16           HB1      PHE  16   1.045  -9.339   1.621
  137    HD1  PHE  16           HD1      PHE  16   3.168  -9.432   4.606
  138    HD2  PHE  16           HD2      PHE  16   0.745  -7.000   2.092
  139    HE1  PHE  16           HE1      PHE  16   4.091  -7.417   5.672
  140    HE2  PHE  16           HE2      PHE  16   1.674  -4.984   3.142
  141    HZ   PHE  16           HZ       PHE  16   3.343  -5.186   4.942
  142    H    ASN  17           HN       ASN  17  -1.580  -9.150   4.954
  143    HA   ASN  17           HA       ASN  17  -3.460  -8.468   2.859
  144   1HB   ASN  17           HB2      ASN  17  -4.837  -7.627   4.873
  145   2HB   ASN  17           HB1      ASN  17  -4.625  -9.355   4.665
  146   1HD2  ASN  17          1HD2      ASN  17  -2.253  -7.077   6.022
  147   2HD2  ASN  17          2HD2      ASN  17  -2.257  -7.776   7.608
  148    H    PHE  18           HN       PHE  18  -2.792  -6.734   1.727
  149    HA   PHE  18           HA       PHE  18  -1.334  -4.612   2.771
  150   1HB   PHE  18           HB2      PHE  18  -3.107  -4.708   0.335
  151   2HB   PHE  18           HB1      PHE  18  -2.014  -3.374   0.726
  152    HD1  PHE  18           HD1      PHE  18   0.404  -4.107   1.325
  153    HD2  PHE  18           HD2      PHE  18  -2.268  -6.395  -1.070
  154    HE1  PHE  18           HE1      PHE  18   2.309  -5.285   0.355
  155    HE2  PHE  18           HE2      PHE  18  -0.344  -7.592  -2.076
  156    HZ   PHE  18           HZ       PHE  18   1.943  -7.026  -1.346
  157    H    VAL  19           HN       VAL  19  -4.852  -4.947   2.482
  158    HA   VAL  19           HA       VAL  19  -5.441  -2.432   3.602
  159    HB   VAL  19           HB       VAL  19  -7.656  -3.550   4.178
  160   1HG1  VAL  19          3HG1      VAL  19  -7.269  -2.167   2.190
  161   2HG1  VAL  19          2HG1      VAL  19  -6.715  -3.597   1.317
  162   3HG1  VAL  19          1HG1      VAL  19  -8.391  -3.488   1.857
  163   1HG2  VAL  19          1HG2      VAL  19  -6.868  -5.853   4.272
  164   2HG2  VAL  19          3HG2      VAL  19  -8.125  -5.670   3.047
  165   3HG2  VAL  19          2HG2      VAL  19  -6.431  -5.779   2.565
  166    H    GLY  20           HN       GLY  20  -5.083  -5.649   5.083
  167   1HA   GLY  20           HA1      GLY  20  -4.712  -6.231   7.279
  168   2HA   GLY  20           HA2      GLY  20  -5.566  -4.764   7.734
  169    H    ARG  21           HN       ARG  21  -2.983  -4.268   5.635
  170    HA   ARG  21           HA       ARG  21  -1.036  -3.758   7.732
  171   1HB   ARG  21           HB2      ARG  21   0.073  -4.793   6.014
  172   2HB   ARG  21           HB1      ARG  21  -0.984  -4.129   4.782
  173   1HG   ARG  21           HG2      ARG  21   0.866  -2.950   4.272
  174   2HG   ARG  21           HG1      ARG  21   0.260  -1.885   5.538
  175   1HD   ARG  21           HD2      ARG  21   2.275  -4.080   5.931
  176   2HD   ARG  21           HD1      ARG  21   2.668  -2.386   5.742
  177    HE   ARG  21           HE       ARG  21   1.087  -2.213   7.839
  178   1HH1  ARG  21          1HH1      ARG  21   3.515  -4.634   7.157
  179   2HH1  ARG  21          2HH1      ARG  21   3.894  -4.919   8.828
  180   1HH2  ARG  21          1HH2      ARG  21   1.586  -2.567  10.046
  181   2HH2  ARG  21          2HH2      ARG  21   2.799  -3.739  10.467
  182    H    ILE  22           HN       ILE  22  -2.861  -2.050   5.225
  183    HA   ILE  22           HA       ILE  22  -1.567   0.464   5.911
  184    HB   ILE  22           HB       ILE  22  -3.567  -0.244   3.767
  185   1HG1  ILE  22          2HG1      ILE  22  -1.428  -1.233   3.304
  186   2HG1  ILE  22          1HG1      ILE  22  -1.619   0.164   2.250
  187   1HG2  ILE  22          2HG2      ILE  22  -3.845   2.075   4.407
  188   2HG2  ILE  22          1HG2      ILE  22  -2.114   2.356   4.211
  189   3HG2  ILE  22          3HG2      ILE  22  -3.108   1.953   2.810
  190   1HD1  ILE  22          3HD1      ILE  22  -0.223   1.468   3.829
  191   2HD1  ILE  22          2HD1      ILE  22   0.055  -0.018   4.739
  192   3HD1  ILE  22          1HD1      ILE  22   0.616   0.114   3.073
  193    H    LEU  23           HN       LEU  23  -4.690  -1.092   6.033
  194    HA   LEU  23           HA       LEU  23  -5.921   1.294   7.210
  195   1HB   LEU  23           HB2      LEU  23  -7.099  -1.288   6.162
  196   2HB   LEU  23           HB1      LEU  23  -8.044  -0.028   6.919
  197    HG   LEU  23           HG       LEU  23  -7.643   1.471   5.069
  198   1HD1  LEU  23          2HD1      LEU  23  -5.330   0.816   4.548
  199   2HD1  LEU  23          1HD1      LEU  23  -5.925  -0.706   3.888
  200   3HD1  LEU  23          3HD1      LEU  23  -6.357   0.818   3.113
  201   1HD2  LEU  23          2HD2      LEU  23  -9.424  -0.214   4.875
  202   2HD2  LEU  23          1HD2      LEU  23  -8.749   0.242   3.309
  203   3HD2  LEU  23          3HD2      LEU  23  -8.280  -1.284   4.059
  204    H    GLY  24           HN       GLY  24  -5.047  -2.007   7.814
  205   1HA   GLY  24           HA1      GLY  24  -4.987  -3.299   9.685
  206   2HA   GLY  24           HA2      GLY  24  -6.664  -2.817   9.846
  207    HA   PRO  25           HA       PRO  25  -4.445  -1.018  13.462
  208   1HB   PRO  25           HB2      PRO  25  -1.728  -1.222  13.641
  209   2HB   PRO  25           HB1      PRO  25  -2.834  -2.548  13.998
  210   1HG   PRO  25           HG2      PRO  25  -0.990  -2.246  11.773
  211   2HG   PRO  25           HG1      PRO  25  -1.897  -3.678  12.279
  212   1HD   PRO  25           HD2      PRO  25  -2.478  -1.802  10.130
  213   2HD   PRO  25           HD1      PRO  25  -3.238  -3.366  10.486
  214    H    ARG  26           HN       ARG  26  -3.123   0.020  10.481
  215    HA   ARG  26           HA       ARG  26  -2.177   2.534  11.689
  216   1HB   ARG  26           HB2      ARG  26  -0.461   0.970  10.620
  217   2HB   ARG  26           HB1      ARG  26  -1.199   1.381   9.080
  218   1HG   ARG  26           HG2      ARG  26   0.743   2.739   9.395
  219   2HG   ARG  26           HG1      ARG  26  -0.688   3.765   9.523
  220   1HD   ARG  26           HD2      ARG  26  -0.543   3.543  11.995
  221   2HD   ARG  26           HD1      ARG  26   0.974   2.670  11.783
  222    HE   ARG  26           HE       ARG  26   1.547   4.897  10.478
  223   1HH1  ARG  26          1HH1      ARG  26  -0.054   4.444  13.564
  224   2HH1  ARG  26          2HH1      ARG  26   0.429   5.998  14.189
  225   1HH2  ARG  26          1HH2      ARG  26   2.199   6.922  11.293
  226   2HH2  ARG  26          2HH2      ARG  26   1.725   7.404  12.894
  227    H    GLY  27           HN       GLY  27  -4.827   1.541  10.343
  228   1HA   GLY  27           HA1      GLY  27  -6.479   2.450   9.038
  229   2HA   GLY  27           HA2      GLY  27  -5.196   2.815   7.892
  230    H    LEU  28           HN       LEU  28  -4.938   4.204  11.004
  231    HA   LEU  28           HA       LEU  28  -6.247   6.602  10.829
  232   1HB   LEU  28           HB2      LEU  28  -3.439   6.118  11.830
  233   2HB   LEU  28           HB1      LEU  28  -4.391   7.550  12.167
  234    HG   LEU  28           HG       LEU  28  -5.147   4.758  13.030
  235   1HD1  LEU  28          2HD1      LEU  28  -3.122   5.535  14.164
  236   2HD1  LEU  28          1HD1      LEU  28  -3.950   7.021  14.629
  237   3HD1  LEU  28          3HD1      LEU  28  -4.495   5.469  15.269
  238   1HD2  LEU  28          1HD2      LEU  28  -6.296   7.465  13.701
  239   2HD2  LEU  28          3HD2      LEU  28  -7.064   6.214  12.725
  240   3HD2  LEU  28          2HD2      LEU  28  -6.777   5.938  14.443
  241    H    THR  29           HN       THR  29  -3.291   5.583   9.199
  242    HA   THR  29           HA       THR  29  -2.436   8.099   8.335
  243    HB   THR  29           HB       THR  29  -0.992   6.096   8.269
  244    HG1  THR  29           HG1      THR  29   0.085   7.207   6.851
  245   1HG2  THR  29          1HG2      THR  29  -2.673   5.287   5.891
  246   2HG2  THR  29          3HG2      THR  29  -1.165   4.519   6.386
  247   3HG2  THR  29          2HG2      THR  29  -2.583   4.439   7.434
  248    H    ALA  30           HN       ALA  30  -4.606   5.758   6.764
  249    HA   ALA  30           HA       ALA  30  -4.786   7.139   4.307
  250   1HB   ALA  30           HB3      ALA  30  -5.456   4.796   4.564
  251   2HB   ALA  30           HB1      ALA  30  -6.759   5.770   3.883
  252   3HB   ALA  30           HB2      ALA  30  -6.808   5.296   5.581
  253    H    LYS  31           HN       LYS  31  -6.721   7.194   7.231
  254    HA   LYS  31           HA       LYS  31  -8.689   9.009   6.377
  255   1HB   LYS  31           HB2      LYS  31  -7.570   8.290   9.076
  256   2HB   LYS  31           HB1      LYS  31  -8.905   9.424   8.887
  257   1HG   LYS  31           HG2      LYS  31 -10.229   7.661   7.789
  258   2HG   LYS  31           HG1      LYS  31  -8.897   6.531   8.036
  259   1HD   LYS  31           HD2      LYS  31 -10.081   8.008  10.356
  260   2HD   LYS  31           HD1      LYS  31 -10.869   6.563   9.723
  261   1HE   LYS  31           HE2      LYS  31  -7.955   6.561  10.420
  262   2HE   LYS  31           HE1      LYS  31  -9.184   6.313  11.659
  263   1HZ   LYS  31           HZ2      LYS  31  -9.017   4.680   9.183
  264   2HZ   LYS  31           HZ1      LYS  31  -8.275   4.239  10.646
  265   3HZ   LYS  31           HZ3      LYS  31  -9.960   4.381  10.561
  266    H    GLN  32           HN       GLN  32  -5.525   9.452   7.876
  267    HA   GLN  32           HA       GLN  32  -5.867  12.241   8.335
  268   1HB   GLN  32           HB2      GLN  32  -3.338  10.594   8.174
  269   2HB   GLN  32           HB1      GLN  32  -3.411  12.268   8.709
  270   1HG   GLN  32           HG2      GLN  32  -4.562   9.841  10.044
  271   2HG   GLN  32           HG1      GLN  32  -3.326  10.938  10.652
  272   1HE2  GLN  32          1HE2      GLN  32  -6.706  10.456  10.090
  273   2HE2  GLN  32          2HE2      GLN  32  -7.273  11.782  11.045
  274    H    LEU  33           HN       LEU  33  -4.671  10.333   5.646
  275    HA   LEU  33           HA       LEU  33  -3.353  12.457   4.316
  276   1HB   LEU  33           HB2      LEU  33  -4.673  10.137   2.922
  277   2HB   LEU  33           HB1      LEU  33  -3.292  11.072   2.386
  278    HG   LEU  33           HG       LEU  33  -3.412   8.950   4.499
  279   1HD1  LEU  33          2HD1      LEU  33  -2.975   8.244   2.218
  280   2HD1  LEU  33          1HD1      LEU  33  -1.614   9.362   2.121
  281   3HD1  LEU  33          3HD1      LEU  33  -1.561   8.002   3.243
  282   1HD2  LEU  33          3HD2      LEU  33  -1.264  11.031   4.161
  283   2HD2  LEU  33          2HD2      LEU  33  -2.246  10.708   5.594
  284   3HD2  LEU  33          1HD2      LEU  33  -1.058   9.522   5.055
  285    H    GLU  34           HN       GLU  34  -6.687  11.217   4.081
  286    HA   GLU  34           HA       GLU  34  -7.345  13.130   2.052
  287   1HB   GLU  34           HB2      GLU  34  -9.728  12.521   2.574
  288   2HB   GLU  34           HB1      GLU  34  -8.689  11.198   2.072
  289   1HG   GLU  34           HG2      GLU  34  -8.474  10.467   4.376
  290   2HG   GLU  34           HG1      GLU  34  -9.448  11.836   4.914
  291    H    ALA  35           HN       ALA  35  -7.590  13.025   5.528
  292    HA   ALA  35           HA       ALA  35  -9.104  15.372   5.861
  293   1HB   ALA  35           HB3      ALA  35  -8.328  15.331   8.170
  294   2HB   ALA  35           HB1      ALA  35  -7.099  14.141   7.745
  295   3HB   ALA  35           HB2      ALA  35  -8.809  13.721   7.634
  296    H    GLU  36           HN       GLU  36  -5.602  14.838   5.664
  297    HA   GLU  36           HA       GLU  36  -5.117  17.659   6.205
  298   1HB   GLU  36           HB2      GLU  36  -3.162  15.392   5.807
  299   2HB   GLU  36           HB1      GLU  36  -2.749  17.024   6.309
  300   1HG   GLU  36           HG2      GLU  36  -4.408  15.038   7.847
  301   2HG   GLU  36           HG1      GLU  36  -2.758  15.542   8.207
  302    H    THR  37           HN       THR  37  -4.364  15.302   3.603
  303    HA   THR  37           HA       THR  37  -2.938  17.317   2.135
  304    HB   THR  37           HB       THR  37  -2.425  15.675   0.501
  305    HG1  THR  37           HG1      THR  37  -4.359  13.934   1.662
  306   1HG2  THR  37          2HG2      THR  37  -2.591  14.295   3.181
  307   2HG2  THR  37          1HG2      THR  37  -1.581  13.791   1.828
  308   3HG2  THR  37          3HG2      THR  37  -1.277  15.334   2.629
  309    H    GLY  38           HN       GLY  38  -6.174  16.191   2.259
  310   1HA   GLY  38           HA1      GLY  38  -6.935  17.921   0.042
  311   2HA   GLY  38           HA2      GLY  38  -8.029  17.117   1.161
  312    H    CYS  39           HN       CYS  39  -5.697  14.986   0.124
  313    HA   CYS  39           HA       CYS  39  -7.304  14.012  -2.116
  314   1HB   CYS  39           HB2      CYS  39  -4.870  14.127  -2.431
  315   2HB   CYS  39           HB1      CYS  39  -4.641  13.050  -1.054
  316    HG   CYS  39           HG       CYS  39  -6.653  11.853  -3.455
  317    H    LYS  40           HN       LYS  40  -8.802  12.608  -1.775
  318    HA   LYS  40           HA       LYS  40  -8.847  11.134   0.713
  319   1HB   LYS  40           HB2      LYS  40 -11.035  10.240  -0.282
  320   2HB   LYS  40           HB1      LYS  40 -10.977  11.955   0.093
  321   1HG   LYS  40           HG2      LYS  40 -10.650  12.488  -2.237
  322   2HG   LYS  40           HG1      LYS  40 -10.564  10.775  -2.644
  323   1HD   LYS  40           HD2      LYS  40 -12.954  12.120  -1.400
  324   2HD   LYS  40           HD1      LYS  40 -12.756  11.837  -3.126
  325   1HE   LYS  40           HE2      LYS  40 -12.594   9.413  -2.680
  326   2HE   LYS  40           HE1      LYS  40 -12.885   9.733  -0.971
  327   1HZ   LYS  40           HZ2      LYS  40 -14.749  10.387  -3.190
  328   2HZ   LYS  40           HZ1      LYS  40 -14.908   9.080  -2.114
  329   3HZ   LYS  40           HZ3      LYS  40 -15.030  10.673  -1.541
  330    H    ILE  41           HN       ILE  41  -7.112   9.746   0.533
  331    HA   ILE  41           HA       ILE  41  -6.849   8.092  -1.798
  332    HB   ILE  41           HB       ILE  41  -4.831   8.651  -0.642
  333   1HG1  ILE  41          2HG1      ILE  41  -5.484   5.716  -0.197
  334   2HG1  ILE  41          1HG1      ILE  41  -4.886   6.438  -1.691
  335   1HG2  ILE  41          3HG2      ILE  41  -5.740   9.023   1.589
  336   2HG2  ILE  41          2HG2      ILE  41  -6.005   7.288   1.788
  337   3HG2  ILE  41          1HG2      ILE  41  -4.363   7.923   1.659
  338   1HD1  ILE  41          2HD1      ILE  41  -3.400   6.365   0.925
  339   2HD1  ILE  41          1HD1      ILE  41  -3.107   5.315  -0.464
  340   3HD1  ILE  41          3HD1      ILE  41  -2.808   7.049  -0.590
  341    H    MET  42           HN       MET  42  -8.235   6.578  -2.198
  342    HA   MET  42           HA       MET  42  -9.287   5.026   0.050
  343   1HB   MET  42           HB2      MET  42 -11.120   4.357  -1.515
  344   2HB   MET  42           HB1      MET  42 -11.104   6.068  -1.115
  345   1HG   MET  42           HG2      MET  42 -10.173   6.624  -3.244
  346   2HG   MET  42           HG1      MET  42  -9.934   4.919  -3.642
  347   1HE   MET  42           HE3      MET  42 -11.608   7.456  -5.145
  348   2HE   MET  42           HE2      MET  42 -11.245   5.944  -5.977
  349   3HE   MET  42           HE1      MET  42 -12.905   6.534  -5.906
  350    H    VAL  43           HN       VAL  43  -8.794   2.956   0.166
  351    HA   VAL  43           HA       VAL  43  -7.028   1.808  -1.745
  352    HB   VAL  43           HB       VAL  43  -8.513   0.556   0.573
  353   1HG1  VAL  43          2HG1      VAL  43  -8.034  -1.100  -1.139
  354   2HG1  VAL  43          1HG1      VAL  43  -6.346  -0.582  -1.172
  355   3HG1  VAL  43          3HG1      VAL  43  -7.006  -1.340   0.277
  356   1HG2  VAL  43          1HG2      VAL  43  -5.643   1.407   0.209
  357   2HG2  VAL  43          3HG2      VAL  43  -6.826   2.128   1.304
  358   3HG2  VAL  43          2HG2      VAL  43  -6.247   0.479   1.580
  359    H    ARG  44           HN       ARG  44  -7.595   0.929  -3.590
  360    HA   ARG  44           HA       ARG  44 -10.423   0.267  -3.957
  361   1HB   ARG  44           HB2      ARG  44  -8.437   1.348  -5.960
  362   2HB   ARG  44           HB1      ARG  44 -10.051   0.776  -6.379
  363   1HG   ARG  44           HG2      ARG  44 -10.914   2.442  -4.674
  364   2HG   ARG  44           HG1      ARG  44  -9.294   3.124  -4.675
  365   1HD   ARG  44           HD2      ARG  44 -11.004   4.203  -6.159
  366   2HD   ARG  44           HD1      ARG  44  -9.474   3.784  -6.914
  367    HE   ARG  44           HE       ARG  44 -10.926   1.690  -7.565
  368   1HH1  ARG  44          1HH1      ARG  44 -11.833   5.072  -7.555
  369   2HH1  ARG  44          2HH1      ARG  44 -12.961   4.908  -8.861
  370   1HH2  ARG  44          1HH2      ARG  44 -12.371   1.489  -9.349
  371   2HH2  ARG  44          2HH2      ARG  44 -13.262   2.885  -9.880
  372    H    GLY  45           HN       GLY  45 -10.962  -1.666  -4.649
  373   1HA   GLY  45           HA1      GLY  45  -8.757  -3.601  -4.632
  374   2HA   GLY  45           HA2      GLY  45 -10.013  -3.719  -5.860
  375    H    LYS  46           HN       LYS  46  -9.620  -5.841  -4.257
  376    HA   LYS  46           HA       LYS  46 -12.189  -6.076  -3.012
  377   1HB   LYS  46           HB2      LYS  46 -11.562  -8.424  -2.674
  378   2HB   LYS  46           HB1      LYS  46 -11.264  -7.912  -4.327
  379   1HG   LYS  46           HG2      LYS  46  -8.838  -7.467  -3.384
  380   2HG   LYS  46           HG1      LYS  46  -9.337  -8.669  -2.195
  381   1HD   LYS  46           HD2      LYS  46  -8.236  -9.817  -3.979
  382   2HD   LYS  46           HD1      LYS  46  -9.963 -10.166  -4.106
  383   1HE   LYS  46           HE2      LYS  46 -10.206  -8.495  -5.842
  384   2HE   LYS  46           HE1      LYS  46  -8.515  -8.037  -5.658
  385   1HZ   LYS  46           HZ3      LYS  46  -9.206 -10.808  -6.350
  386   2HZ   LYS  46           HZ2      LYS  46  -9.197  -9.610  -7.554
  387   3HZ   LYS  46           HZ1      LYS  46  -7.784  -9.932  -6.673
  388    H    GLY  47           HN       GLY  47 -12.401  -4.975  -1.108
  389   1HA   GLY  47           HA1      GLY  47 -10.563  -5.894   1.011
  390   2HA   GLY  47           HA2      GLY  47 -12.296  -5.772   1.263
  391    H    SER  48           HN       SER  48 -12.602  -3.294  -0.101
  392    HA   SER  48           HA       SER  48 -10.820  -1.365   1.072
  393   1HB   SER  48           HB2      SER  48 -11.757  -1.061  -1.167
  394   2HB   SER  48           HB1      SER  48 -13.388  -1.065  -0.506
  395    HG   SER  48           HG       SER  48 -12.488   0.814   0.806
  396    H    MET  49           HN       MET  49 -14.374  -1.731   1.224
  397    HA   MET  49           HA       MET  49 -14.317  -0.810   4.006
  398   1HB   MET  49           HB2      MET  49 -16.002   0.149   1.735
  399   2HB   MET  49           HB1      MET  49 -16.698   0.118   3.347
  400   1HG   MET  49           HG2      MET  49 -15.860   2.298   3.001
  401   2HG   MET  49           HG1      MET  49 -14.755   1.500   4.116
  402   1HE   MET  49           HE3      MET  49 -14.081   4.201   2.565
  403   2HE   MET  49           HE2      MET  49 -12.958   3.418   3.677
  404   3HE   MET  49           HE1      MET  49 -12.416   3.891   2.066
  405    H    ARG  50           HN       ARG  50 -14.305  -3.480   3.089
  406    HA   ARG  50           HA       ARG  50 -16.855  -4.625   2.762
  407   1HB   ARG  50           HB2      ARG  50 -14.182  -5.800   3.448
  408   2HB   ARG  50           HB1      ARG  50 -15.627  -6.792   3.280
  409   1HG   ARG  50           HG2      ARG  50 -15.630  -5.219   1.009
  410   2HG   ARG  50           HG1      ARG  50 -13.931  -5.630   1.251
  411   1HD   ARG  50           HD2      ARG  50 -16.179  -7.630   1.256
  412   2HD   ARG  50           HD1      ARG  50 -15.199  -7.258  -0.153
  413    HE   ARG  50           HE       ARG  50 -13.486  -7.945   1.965
  414   1HH1  ARG  50          1HH1      ARG  50 -15.936  -9.449  -0.044
  415   2HH1  ARG  50          2HH1      ARG  50 -15.201 -11.025   0.012
  416   1HH2  ARG  50          1HH2      ARG  50 -12.497 -10.021   2.017
  417   2HH2  ARG  50          2HH2      ARG  50 -13.246 -11.351   1.174
  418    H    ASP  51           HN       ASP  51 -16.561  -3.028   5.272
  419    HA   ASP  51           HA       ASP  51 -16.855  -4.876   7.437
  420   1HB   ASP  51           HB2      ASP  51 -16.130  -2.482   7.696
  421   2HB   ASP  51           HB1      ASP  51 -17.778  -1.999   7.297
  422    H    LYS  52           HN       LYS  52 -18.808  -5.479   8.461
  423    HA   LYS  52           HA       LYS  52 -20.834  -6.278   6.751
  424   1HB   LYS  52           HB2      LYS  52 -20.932  -5.886   9.742
  425   2HB   LYS  52           HB1      LYS  52 -22.185  -6.695   8.817
  426   1HG   LYS  52           HG2      LYS  52 -20.462  -8.333   8.065
  427   2HG   LYS  52           HG1      LYS  52 -19.337  -7.572   9.193
  428   1HD   LYS  52           HD2      LYS  52 -20.846  -8.072  11.044
  429   2HD   LYS  52           HD1      LYS  52 -21.985  -8.819   9.924
  430   1HE   LYS  52           HE2      LYS  52 -20.684 -10.524  11.044
  431   2HE   LYS  52           HE1      LYS  52 -20.278 -10.485   9.330
  432   1HZ   LYS  52           HZ2      LYS  52 -18.678  -9.078  11.392
  433   2HZ   LYS  52           HZ1      LYS  52 -18.354 -10.666  10.902
  434   3HZ   LYS  52           HZ3      LYS  52 -18.253  -9.399   9.782
  435    H    LYS  53           HN       LYS  53 -20.587  -3.334   8.661
  436    HA   LYS  53           HA       LYS  53 -23.298  -2.580   8.386
  437   1HB   LYS  53           HB2      LYS  53 -22.610  -0.401   9.178
  438   2HB   LYS  53           HB1      LYS  53 -21.816  -1.654  10.119
  439   1HG   LYS  53           HG2      LYS  53 -19.834  -1.311   8.516
  440   2HG   LYS  53           HG1      LYS  53 -20.643   0.193   8.073
  441   1HD   LYS  53           HD2      LYS  53 -19.813  -0.596  10.866
  442   2HD   LYS  53           HD1      LYS  53 -18.948   0.531   9.820
  443   1HE   LYS  53           HE2      LYS  53 -20.906   2.005   9.805
  444   2HE   LYS  53           HE1      LYS  53 -21.760   0.875  10.858
  445   1HZ   LYS  53           HZ2      LYS  53 -19.239   2.288  11.544
  446   2HZ   LYS  53           HZ1      LYS  53 -20.779   2.716  12.100
  447   3HZ   LYS  53           HZ3      LYS  53 -20.095   1.235  12.561
  448    H    LYS  54           HN       LYS  54 -20.457  -2.056   6.383
  449    HA   LYS  54           HA       LYS  54 -21.819  -0.059   4.837
  450   1HB   LYS  54           HB2      LYS  54 -19.066  -1.102   4.965
  451   2HB   LYS  54           HB1      LYS  54 -19.587  -0.486   3.398
  452   1HG   LYS  54           HG2      LYS  54 -20.096   1.642   4.312
  453   2HG   LYS  54           HG1      LYS  54 -19.937   1.042   5.960
  454   1HD   LYS  54           HD2      LYS  54 -17.552   0.684   5.596
  455   2HD   LYS  54           HD1      LYS  54 -17.712   1.283   3.943
  456   1HE   LYS  54           HE2      LYS  54 -18.323   2.863   6.443
  457   2HE   LYS  54           HE1      LYS  54 -16.857   3.013   5.475
  458   1HZ   LYS  54           HZ1      LYS  54 -19.570   3.462   4.364
  459   2HZ   LYS  54           HZ3      LYS  54 -18.636   4.707   5.032
  460   3HZ   LYS  54           HZ2      LYS  54 -18.083   3.869   3.663
  461    H    GLU  55           HN       GLU  55 -21.164  -3.485   4.519
  462    HA   GLU  55           HA       GLU  55 -22.127  -3.588   1.821
  463   1HB   GLU  55           HB2      GLU  55 -22.407  -6.078   2.352
  464   2HB   GLU  55           HB1      GLU  55 -20.776  -5.419   2.426
  465   1HG   GLU  55           HG2      GLU  55 -20.689  -5.529   4.716
  466   2HG   GLU  55           HG1      GLU  55 -22.446  -5.547   4.902
  467    H    GLU  56           HN       GLU  56 -23.634  -3.392   4.910
  468    HA   GLU  56           HA       GLU  56 -26.185  -4.448   4.171
  469   1HB   GLU  56           HB2      GLU  56 -25.351  -2.506   6.325
  470   2HB   GLU  56           HB1      GLU  56 -27.016  -3.009   6.100
  471   1HG   GLU  56           HG2      GLU  56 -26.375  -5.319   6.551
  472   2HG   GLU  56           HG1      GLU  56 -24.703  -4.803   6.781
  473    H    GLN  57           HN       GLN  57 -25.123  -1.115   4.689
  474    HA   GLN  57           HA       GLN  57 -27.487  -0.198   3.198
  475   1HB   GLN  57           HB2      GLN  57 -27.156   1.927   4.502
  476   2HB   GLN  57           HB1      GLN  57 -27.555   0.513   5.470
  477   1HG   GLN  57           HG2      GLN  57 -24.801   0.482   5.374
  478   2HG   GLN  57           HG1      GLN  57 -25.203   2.190   5.528
  479   1HE2  GLN  57          1HE2      GLN  57 -24.110  -0.030   7.288
  480   2HE2  GLN  57          2HE2      GLN  57 -25.008   0.148   8.771
  481    H    ASN  58           HN       ASN  58 -24.015   0.154   3.490
  482    HA   ASN  58           HA       ASN  58 -23.934   2.390   1.647
  483   1HB   ASN  58           HB2      ASN  58 -22.406   2.080   3.694
  484   2HB   ASN  58           HB1      ASN  58 -21.554   0.884   2.723
  485   1HD2  ASN  58          1HD2      ASN  58 -22.994   3.878   1.576
  486   2HD2  ASN  58          2HD2      ASN  58 -21.508   4.630   1.105
  487    H    ARG  59           HN       ARG  59 -24.389  -0.750   1.375
  488    HA   ARG  59           HA       ARG  59 -22.708  -1.897  -0.393
  489   1HB   ARG  59           HB2      ARG  59 -24.512  -3.329  -1.084
  490   2HB   ARG  59           HB1      ARG  59 -24.665  -2.998   0.634
  491   1HG   ARG  59           HG2      ARG  59 -26.425  -1.376   0.175
  492   2HG   ARG  59           HG1      ARG  59 -26.258  -1.673  -1.556
  493   1HD   ARG  59           HD2      ARG  59 -27.144  -3.640   0.554
  494   2HD   ARG  59           HD1      ARG  59 -28.134  -2.934  -0.725
  495    HE   ARG  59           HE       ARG  59 -26.124  -4.187  -2.077
  496   1HH1  ARG  59          1HH1      ARG  59 -28.497  -5.200   0.294
  497   2HH1  ARG  59          2HH1      ARG  59 -28.501  -6.856  -0.238
  498   1HH2  ARG  59          1HH2      ARG  59 -26.126  -6.362  -2.771
  499   2HH2  ARG  59          2HH2      ARG  59 -27.153  -7.520  -1.976
  500    H    GLY  60           HN       GLY  60 -22.461  -2.024  -2.579
  501   1HA   GLY  60           HA1      GLY  60 -24.158  -0.531  -4.394
  502   2HA   GLY  60           HA2      GLY  60 -22.770  -1.519  -4.832
  503    H    LYS  61           HN       LYS  61 -21.997   0.683  -2.396
  504    HA   LYS  61           HA       LYS  61 -21.432   2.910  -4.130
  505   1HB   LYS  61           HB2      LYS  61 -21.342   2.403  -1.227
  506   2HB   LYS  61           HB1      LYS  61 -20.164   3.563  -1.829
  507   1HG   LYS  61           HG2      LYS  61 -22.383   4.499  -1.045
  508   2HG   LYS  61           HG1      LYS  61 -21.830   5.004  -2.643
  509   1HD   LYS  61           HD2      LYS  61 -23.293   3.341  -3.676
  510   2HD   LYS  61           HD1      LYS  61 -23.833   2.818  -2.081
  511   1HE   LYS  61           HE2      LYS  61 -24.199   5.586  -3.219
  512   2HE   LYS  61           HE1      LYS  61 -25.437   4.332  -3.183
  513   1HZ   LYS  61           HZ2      LYS  61 -25.086   4.307  -0.706
  514   2HZ   LYS  61           HZ1      LYS  61 -24.204   5.746  -0.894
  515   3HZ   LYS  61           HZ3      LYS  61 -25.844   5.686  -1.333
  516    HA   PRO  62           HA       PRO  62 -17.241   3.010  -5.546
  517   1HB   PRO  62           HB2      PRO  62 -16.719   4.187  -2.825
  518   2HB   PRO  62           HB1      PRO  62 -15.931   4.562  -4.359
  519   1HG   PRO  62           HG2      PRO  62 -17.995   6.020  -3.446
  520   2HG   PRO  62           HG1      PRO  62 -17.775   5.706  -5.177
  521   1HD   PRO  62           HD2      PRO  62 -19.872   4.736  -3.403
  522   2HD   PRO  62           HD1      PRO  62 -19.751   4.583  -5.168
  523    H    ASN  63           HN       ASN  63 -17.556   1.879  -2.208
  524    HA   ASN  63           HA       ASN  63 -15.006   0.608  -2.102
  525   1HB   ASN  63           HB2      ASN  63 -17.087  -0.561  -0.409
  526   2HB   ASN  63           HB1      ASN  63 -15.566   0.214   0.025
  527   1HD2  ASN  63          1HD2      ASN  63 -18.938   0.751  -0.654
  528   2HD2  ASN  63          2HD2      ASN  63 -19.038   2.301   0.102
  529    H    TRP  64           HN       TRP  64 -18.228  -0.389  -2.970
  530    HA   TRP  64           HA       TRP  64 -17.367  -3.089  -3.579
  531   1HB   TRP  64           HB2      TRP  64 -20.108  -1.930  -4.034
  532   2HB   TRP  64           HB1      TRP  64 -19.656  -3.616  -3.761
  533    HD1  TRP  64           HD1      TRP  64 -20.711  -0.535  -1.946
  534    HE1  TRP  64           HE1      TRP  64 -20.671  -0.927   0.585
  535    HE3  TRP  64           HE3      TRP  64 -18.248  -5.004  -1.888
  536    HZ2  TRP  64           HZ2      TRP  64 -19.706  -2.894   2.382
  537    HZ3  TRP  64           HZ3      TRP  64 -17.803  -6.074   0.282
  538    HH2  TRP  64           HH2      TRP  64 -18.517  -5.041   2.369
  539    H    GLU  65           HN       GLU  65 -17.982  -0.035  -5.020
  540    HA   GLU  65           HA       GLU  65 -18.180  -0.717  -7.707
  541   1HB   GLU  65           HB2      GLU  65 -18.471   1.557  -7.257
  542   2HB   GLU  65           HB1      GLU  65 -17.011   1.641  -6.276
  543   1HG   GLU  65           HG2      GLU  65 -15.720   1.205  -8.407
  544   2HG   GLU  65           HG1      GLU  65 -17.230   1.502  -9.266
  545    H    HIS  66           HN       HIS  66 -15.286   0.175  -5.865
  546    HA   HIS  66           HA       HIS  66 -13.594  -0.947  -7.908
  547   1HB   HIS  66           HB2      HIS  66 -11.719  -0.188  -6.472
  548   2HB   HIS  66           HB1      HIS  66 -12.805   1.080  -7.015
  549    HD1  HIS  66           HD1      HIS  66 -13.082   2.752  -5.273
  550    HD2  HIS  66           HD2      HIS  66 -12.731  -1.057  -3.675
  551    HE1  HIS  66           HE1      HIS  66 -13.062   3.079  -2.794
  552    HE2  HIS  66           HE2      HIS  66 -12.595   0.794  -1.845
  553    H    LEU  67           HN       LEU  67 -15.263  -2.310  -5.453
  554    HA   LEU  67           HA       LEU  67 -13.454  -4.199  -4.384
  555   1HB   LEU  67           HB2      LEU  67 -16.068  -3.631  -3.975
  556   2HB   LEU  67           HB1      LEU  67 -16.240  -5.043  -4.991
  557    HG   LEU  67           HG       LEU  67 -16.392  -5.592  -2.606
  558   1HD1  LEU  67          1HD1      LEU  67 -15.537  -7.285  -4.139
  559   2HD1  LEU  67          3HD1      LEU  67 -13.894  -6.702  -3.874
  560   3HD1  LEU  67          2HD1      LEU  67 -14.800  -7.424  -2.544
  561   1HD2  LEU  67          2HD2      LEU  67 -14.958  -3.837  -1.732
  562   2HD2  LEU  67          1HD2      LEU  67 -14.425  -5.421  -1.171
  563   3HD2  LEU  67          3HD2      LEU  67 -13.549  -4.604  -2.464
  564    H    ASN  68           HN       ASN  68 -14.763  -3.702  -7.442
  565    HA   ASN  68           HA       ASN  68 -14.471  -6.442  -8.378
  566   1HB   ASN  68           HB2      ASN  68 -15.200  -3.958  -9.953
  567   2HB   ASN  68           HB1      ASN  68 -15.371  -5.629 -10.490
  568   1HD2  ASN  68          1HD2      ASN  68 -16.665  -3.094  -8.544
  569   2HD2  ASN  68          2HD2      ASN  68 -18.136  -3.888  -8.063
  570    H    GLU  69           HN       GLU  69 -12.334  -4.193  -7.653
  571    HA   GLU  69           HA       GLU  69 -10.574  -4.753  -9.951
  572   1HB   GLU  69           HB2      GLU  69 -10.151  -2.654  -7.812
  573   2HB   GLU  69           HB1      GLU  69  -9.295  -2.810  -9.338
  574   1HG   GLU  69           HG2      GLU  69 -11.368  -2.247 -10.533
  575   2HG   GLU  69           HG1      GLU  69 -12.183  -2.038  -8.984
  576    H    ASP  70           HN       ASP  70  -8.224  -5.056  -9.293
  577    HA   ASP  70           HA       ASP  70  -8.090  -6.762  -6.954
  578   1HB   ASP  70           HB2      ASP  70  -6.907  -7.279  -9.198
  579   2HB   ASP  70           HB1      ASP  70  -5.705  -6.103  -8.662
  580    H    LEU  71           HN       LEU  71  -6.632  -6.411  -5.231
  581    HA   LEU  71           HA       LEU  71  -7.172  -3.965  -4.078
  582   1HB   LEU  71           HB2      LEU  71  -6.610  -6.079  -2.886
  583   2HB   LEU  71           HB1      LEU  71  -4.927  -5.811  -3.301
  584    HG   LEU  71           HG       LEU  71  -4.818  -3.840  -1.953
  585   1HD1  LEU  71          2HD1      LEU  71  -7.785  -4.213  -1.636
  586   2HD1  LEU  71          1HD1      LEU  71  -6.814  -3.088  -0.684
  587   3HD1  LEU  71          3HD1      LEU  71  -6.945  -2.876  -2.431
  588   1HD2  LEU  71          2HD2      LEU  71  -6.298  -6.018  -0.481
  589   2HD2  LEU  71          1HD2      LEU  71  -4.558  -5.950  -0.751
  590   3HD2  LEU  71          3HD2      LEU  71  -5.342  -4.740   0.268
  591    H    HIS  72           HN       HIS  72  -6.404  -2.034  -4.498
  592    HA   HIS  72           HA       HIS  72  -3.525  -1.685  -4.532
  593   1HB   HIS  72           HB2      HIS  72  -3.584  -0.161  -6.445
  594   2HB   HIS  72           HB1      HIS  72  -4.084  -1.781  -6.897
  595    HD1  HIS  72           HD1      HIS  72  -6.504  -2.133  -7.647
  596    HD2  HIS  72           HD2      HIS  72  -5.628   1.815  -6.661
  597    HE1  HIS  72           HE1      HIS  72  -8.353  -0.752  -8.637
  598    HE2  HIS  72           HE2      HIS  72  -7.677   1.628  -8.243
  599    H    VAL  73           HN       VAL  73  -2.951   0.627  -4.280
  600    HA   VAL  73           HA       VAL  73  -4.970   1.932  -2.586
  601    HB   VAL  73           HB       VAL  73  -3.070   3.265  -1.637
  602   1HG1  VAL  73          1HG1      VAL  73  -2.892   0.270  -1.317
  603   2HG1  VAL  73          3HG1      VAL  73  -2.219   1.459  -0.201
  604   3HG1  VAL  73          2HG1      VAL  73  -3.965   1.355  -0.433
  605   1HG2  VAL  73          2HG2      VAL  73  -1.474   2.986  -3.462
  606   2HG2  VAL  73          1HG2      VAL  73  -0.787   2.447  -1.930
  607   3HG2  VAL  73          3HG2      VAL  73  -1.357   1.265  -3.105
  608    H    LEU  74           HN       LEU  74  -5.870   3.720  -3.316
  609    HA   LEU  74           HA       LEU  74  -4.554   5.038  -5.583
  610   1HB   LEU  74           HB2      LEU  74  -6.302   3.684  -6.490
  611   2HB   LEU  74           HB1      LEU  74  -7.452   4.251  -5.300
  612    HG   LEU  74           HG       LEU  74  -6.248   6.283  -7.115
  613   1HD1  LEU  74          2HD1      LEU  74  -8.337   4.287  -7.961
  614   2HD1  LEU  74          1HD1      LEU  74  -7.956   5.777  -8.820
  615   3HD1  LEU  74          3HD1      LEU  74  -6.741   4.510  -8.669
  616   1HD2  LEU  74          2HD2      LEU  74  -8.990   5.808  -5.958
  617   2HD2  LEU  74          1HD2      LEU  74  -7.806   6.999  -5.416
  618   3HD2  LEU  74          3HD2      LEU  74  -8.557   7.160  -7.003
  619    H    ILE  75           HN       ILE  75  -4.054   6.935  -5.189
  620    HA   ILE  75           HA       ILE  75  -5.368   8.536  -3.181
  621    HB   ILE  75           HB       ILE  75  -3.703  10.270  -4.389
  622   1HG1  ILE  75          2HG1      ILE  75  -2.395   7.584  -4.826
  623   2HG1  ILE  75          1HG1      ILE  75  -3.119   8.546  -6.108
  624   1HG2  ILE  75          3HG2      ILE  75  -3.662   9.637  -2.030
  625   2HG2  ILE  75          2HG2      ILE  75  -2.809   8.152  -2.449
  626   3HG2  ILE  75          1HG2      ILE  75  -2.037   9.717  -2.711
  627   1HD1  ILE  75          3HD1      ILE  75  -0.832   9.456  -4.381
  628   2HD1  ILE  75          2HD1      ILE  75  -0.670   8.739  -5.986
  629   3HD1  ILE  75          1HD1      ILE  75  -1.501  10.283  -5.790
  630    H    THR  76           HN       THR  76  -7.271   9.330  -3.704
  631    HA   THR  76           HA       THR  76  -7.786  10.220  -6.449
  632    HB   THR  76           HB       THR  76 -10.080  10.463  -4.727
  633    HG1  THR  76           HG1      THR  76  -9.309   8.858  -3.405
  634   1HG2  THR  76          2HG2      THR  76 -10.144  10.154  -7.145
  635   2HG2  THR  76          1HG2      THR  76  -9.456   8.537  -6.962
  636   3HG2  THR  76          3HG2      THR  76 -11.059   8.894  -6.319
  637    H    VAL  77           HN       VAL  77  -7.366  12.293  -6.792
  638    HA   VAL  77           HA       VAL  77  -7.888  14.156  -4.589
  639    HB   VAL  77           HB       VAL  77  -5.490  13.990  -5.068
  640   1HG1  VAL  77          2HG1      VAL  77  -5.586  13.328  -7.405
  641   2HG1  VAL  77          1HG1      VAL  77  -6.183  14.929  -7.841
  642   3HG1  VAL  77          3HG1      VAL  77  -4.558  14.744  -7.182
  643   1HG2  VAL  77          3HG2      VAL  77  -6.735  16.591  -5.924
  644   2HG2  VAL  77          2HG2      VAL  77  -6.334  16.096  -4.279
  645   3HG2  VAL  77          1HG2      VAL  77  -5.048  16.372  -5.456
  646    H    GLU  78           HN       GLU  78  -9.609  15.342  -4.953
  647    HA   GLU  78           HA       GLU  78 -10.351  15.989  -7.687
  648   1HB   GLU  78           HB2      GLU  78 -11.677  16.617  -5.031
  649   2HB   GLU  78           HB1      GLU  78 -12.337  17.063  -6.604
  650   1HG   GLU  78           HG2      GLU  78 -12.626  14.778  -7.214
  651   2HG   GLU  78           HG1      GLU  78 -11.729  14.228  -5.803
  652    H    ASP  79           HN       ASP  79  -8.647  17.269  -8.262
  653    HA   ASP  79           HA       ASP  79  -8.657  20.003  -7.939
  654   1HB   ASP  79           HB2      ASP  79  -8.108  19.452  -5.527
  655   2HB   ASP  79           HB1      ASP  79  -6.597  18.752  -6.095
  656    H    ALA  80           HN       ALA  80  -7.178  20.874  -9.379
  657    HA   ALA  80           HA       ALA  80  -5.657  18.856 -10.869
  658   1HB   ALA  80           HB1      ALA  80  -7.333  20.157 -12.088
  659   2HB   ALA  80           HB3      ALA  80  -6.463  21.641 -11.697
  660   3HB   ALA  80           HB2      ALA  80  -5.709  20.419 -12.722
  661    H    GLN  81           HN       GLN  81  -4.868  20.724  -8.391
  662    HA   GLN  81           HA       GLN  81  -2.607  22.099  -9.617
  663   1HB   GLN  81           HB2      GLN  81  -4.024  22.342  -7.009
  664   2HB   GLN  81           HB1      GLN  81  -2.355  22.882  -7.117
  665   1HG   GLN  81           HG2      GLN  81  -3.769  24.753  -7.482
  666   2HG   GLN  81           HG1      GLN  81  -3.002  24.339  -9.009
  667   1HE2  GLN  81          1HE2      GLN  81  -5.709  22.586  -7.632
  668   2HE2  GLN  81          2HE2      GLN  81  -6.867  23.074  -8.828
  669    H    ASN  82           HN       ASN  82  -0.518  21.867  -9.050
  670    HA   ASN  82           HA       ASN  82   0.418  19.280  -8.521
  671   1HB   ASN  82           HB2      ASN  82   1.736  20.819  -9.824
  672   2HB   ASN  82           HB1      ASN  82   1.812  21.961  -8.487
  673   1HD2  ASN  82          1HD2      ASN  82   3.284  21.663  -6.872
  674   2HD2  ASN  82          2HD2      ASN  82   4.537  20.468  -6.939
  675    H    ARG  83           HN       ARG  83  -0.113  22.037  -6.403
  676    HA   ARG  83           HA       ARG  83   1.357  21.153  -4.192
  677   1HB   ARG  83           HB2      ARG  83  -1.140  22.849  -4.319
  678   2HB   ARG  83           HB1      ARG  83  -0.227  22.570  -2.841
  679   1HG   ARG  83           HG2      ARG  83   0.858  23.852  -5.341
  680   2HG   ARG  83           HG1      ARG  83   0.329  24.713  -3.893
  681   1HD   ARG  83           HD2      ARG  83   2.074  23.742  -2.589
  682   2HD   ARG  83           HD1      ARG  83   2.491  22.615  -3.879
  683    HE   ARG  83           HE       ARG  83   2.789  25.169  -4.914
  684   1HH1  ARG  83          1HH1      ARG  83   4.226  23.264  -2.346
  685   2HH1  ARG  83          2HH1      ARG  83   5.782  24.008  -2.508
  686   1HH2  ARG  83          1HH2      ARG  83   4.823  26.131  -5.135
  687   2HH2  ARG  83          2HH2      ARG  83   6.128  25.633  -4.094
  688    H    ALA  84           HN       ALA  84  -1.896  20.340  -5.268
  689    HA   ALA  84           HA       ALA  84  -2.618  18.907  -2.924
  690   1HB   ALA  84           HB3      ALA  84  -3.722  18.605  -5.718
  691   2HB   ALA  84           HB2      ALA  84  -4.475  18.033  -4.229
  692   3HB   ALA  84           HB1      ALA  84  -4.292  19.764  -4.517
  693    H    GLU  85           HN       GLU  85  -1.571  17.830  -6.150
  694    HA   GLU  85           HA       GLU  85  -1.497  15.085  -5.455
  695   1HB   GLU  85           HB2      GLU  85  -0.411  14.715  -7.560
  696   2HB   GLU  85           HB1      GLU  85  -1.673  15.913  -7.778
  697   1HG   GLU  85           HG2      GLU  85  -0.048  17.693  -7.807
  698   2HG   GLU  85           HG1      GLU  85   1.253  16.551  -7.484
  699    H    LEU  86           HN       LEU  86   0.878  17.647  -5.218
  700    HA   LEU  86           HA       LEU  86   3.154  16.093  -4.691
  701   1HB   LEU  86           HB2      LEU  86   3.050  18.583  -5.081
  702   2HB   LEU  86           HB1      LEU  86   2.470  18.751  -3.437
  703    HG   LEU  86           HG       LEU  86   4.576  17.749  -2.608
  704   1HD1  LEU  86          3HD1      LEU  86   5.413  17.894  -5.501
  705   2HD1  LEU  86          2HD1      LEU  86   6.471  17.521  -4.141
  706   3HD1  LEU  86          1HD1      LEU  86   5.158  16.422  -4.565
  707   1HD2  LEU  86          2HD2      LEU  86   4.858  20.171  -4.380
  708   2HD2  LEU  86          1HD2      LEU  86   4.366  20.153  -2.688
  709   3HD2  LEU  86          3HD2      LEU  86   6.008  19.691  -3.133
  710    H    LYS  87           HN       LYS  87   0.666  17.391  -2.542
  711    HA   LYS  87           HA       LYS  87   1.918  16.454  -0.173
  712   1HB   LYS  87           HB2      LYS  87   0.246  18.384  -0.425
  713   2HB   LYS  87           HB1      LYS  87  -0.999  17.142  -0.388
  714   1HG   LYS  87           HG2      LYS  87  -0.309  16.433   1.804
  715   2HG   LYS  87           HG1      LYS  87   1.071  17.531   1.765
  716   1HD   LYS  87           HD2      LYS  87  -1.826  18.374   1.693
  717   2HD   LYS  87           HD1      LYS  87  -0.799  18.387   3.127
  718   1HE   LYS  87           HE2      LYS  87   0.729  19.950   1.944
  719   2HE   LYS  87           HE1      LYS  87  -0.420  20.001   0.608
  720   1HZ   LYS  87           HZ2      LYS  87  -2.100  20.813   2.218
  721   2HZ   LYS  87           HZ1      LYS  87  -0.891  20.909   3.400
  722   3HZ   LYS  87           HZ3      LYS  87  -0.799  21.882   2.010
  723    H    LEU  88           HN       LEU  88  -0.648  15.158  -2.247
  724    HA   LEU  88           HA       LEU  88  -1.246  12.997  -0.490
  725   1HB   LEU  88           HB2      LEU  88  -2.361  11.982  -2.497
  726   2HB   LEU  88           HB1      LEU  88  -2.959  13.546  -1.983
  727    HG   LEU  88           HG       LEU  88  -1.302  14.427  -3.842
  728   1HD1  LEU  88          2HD1      LEU  88  -0.340  12.247  -4.355
  729   2HD1  LEU  88          1HD1      LEU  88  -1.942  11.652  -4.794
  730   3HD1  LEU  88          3HD1      LEU  88  -1.187  12.926  -5.748
  731   1HD2  LEU  88          3HD2      LEU  88  -3.956  13.137  -4.450
  732   2HD2  LEU  88          2HD2      LEU  88  -3.698  14.772  -3.835
  733   3HD2  LEU  88          1HD2      LEU  88  -3.135  14.339  -5.448
  734    H    LYS  89           HN       LYS  89   1.081  13.395  -3.105
  735    HA   LYS  89           HA       LYS  89   1.582  10.606  -3.347
  736   1HB   LYS  89           HB2      LYS  89   3.440  11.155  -4.767
  737   2HB   LYS  89           HB1      LYS  89   2.085  12.187  -5.174
  738   1HG   LYS  89           HG2      LYS  89   3.788  13.690  -5.248
  739   2HG   LYS  89           HG1      LYS  89   3.289  13.874  -3.568
  740   1HD   LYS  89           HD2      LYS  89   5.588  13.721  -3.394
  741   2HD   LYS  89           HD1      LYS  89   5.080  12.063  -3.088
  742   1HE   LYS  89           HE2      LYS  89   6.056  13.126  -5.744
  743   2HE   LYS  89           HE1      LYS  89   7.035  12.217  -4.598
  744   1HZ   LYS  89           HZ3      LYS  89   5.484  10.341  -4.876
  745   2HZ   LYS  89           HZ2      LYS  89   4.634  11.224  -6.042
  746   3HZ   LYS  89           HZ1      LYS  89   6.235  10.771  -6.330
  747    H    ARG  90           HN       ARG  90   3.070  13.154  -1.406
  748    HA   ARG  90           HA       ARG  90   5.104  11.450  -0.349
  749   1HB   ARG  90           HB2      ARG  90   5.251  13.181   1.487
  750   2HB   ARG  90           HB1      ARG  90   5.479  13.791  -0.146
  751   1HG   ARG  90           HG2      ARG  90   3.214  14.632  -0.178
  752   2HG   ARG  90           HG1      ARG  90   2.921  13.961   1.426
  753   1HD   ARG  90           HD2      ARG  90   5.073  15.983   0.856
  754   2HD   ARG  90           HD1      ARG  90   3.431  16.430   1.319
  755    HE   ARG  90           HE       ARG  90   4.373  14.602   3.209
  756   1HH1  ARG  90          1HH1      ARG  90   5.166  17.812   2.067
  757   2HH1  ARG  90          2HH1      ARG  90   5.710  18.380   3.617
  758   1HH2  ARG  90          1HH2      ARG  90   5.080  15.327   5.250
  759   2HH2  ARG  90          2HH2      ARG  90   5.660  16.957   5.440
  760    H    ALA  91           HN       ALA  91   1.844  12.305   0.656
  761    HA   ALA  91           HA       ALA  91   1.766  10.923   3.092
  762   1HB   ALA  91           HB3      ALA  91  -0.473  11.356   1.118
  763   2HB   ALA  91           HB2      ALA  91  -0.648  10.973   2.829
  764   3HB   ALA  91           HB1      ALA  91   0.050  12.516   2.339
  765    H    VAL  92           HN       VAL  92   0.775   9.909  -0.153
  766    HA   VAL  92           HA       VAL  92   0.176   7.251   0.548
  767    HB   VAL  92           HB       VAL  92  -0.525   8.564  -1.538
  768   1HG1  VAL  92          1HG1      VAL  92   2.119   7.501  -2.512
  769   2HG1  VAL  92          3HG1      VAL  92   0.842   8.143  -3.546
  770   3HG1  VAL  92          2HG1      VAL  92   1.641   9.197  -2.377
  771   1HG2  VAL  92          2HG2      VAL  92   0.357   5.693  -1.768
  772   2HG2  VAL  92          1HG2      VAL  92  -1.180   6.275  -1.125
  773   3HG2  VAL  92          3HG2      VAL  92  -0.797   6.497  -2.834
  774    H    GLU  93           HN       GLU  93   3.139   8.863  -0.235
  775    HA   GLU  93           HA       GLU  93   4.708   6.586  -0.731
  776   1HB   GLU  93           HB2      GLU  93   5.214   9.413  -0.083
  777   2HB   GLU  93           HB1      GLU  93   6.513   8.292   0.296
  778   1HG   GLU  93           HG2      GLU  93   5.177   8.489  -2.386
  779   2HG   GLU  93           HG1      GLU  93   6.667   9.333  -1.963
  780    H    GLU  94           HN       GLU  94   3.718   8.091   2.335
  781    HA   GLU  94           HA       GLU  94   5.398   6.321   3.839
  782   1HB   GLU  94           HB2      GLU  94   4.435   7.128   5.776
  783   2HB   GLU  94           HB1      GLU  94   4.235   8.479   4.681
  784   1HG   GLU  94           HG2      GLU  94   1.932   8.056   4.420
  785   2HG   GLU  94           HG1      GLU  94   2.064   6.477   5.199
  786    H    VAL  95           HN       VAL  95   2.145   6.169   2.547
  787    HA   VAL  95           HA       VAL  95   1.534   3.573   3.468
  788    HB   VAL  95           HB       VAL  95   0.819   4.757   0.771
  789   1HG1  VAL  95          1HG1      VAL  95   0.664   2.230   1.021
  790   2HG1  VAL  95          3HG1      VAL  95  -0.589   2.523   2.228
  791   3HG1  VAL  95          2HG1      VAL  95  -0.827   3.058   0.567
  792   1HG2  VAL  95          1HG2      VAL  95  -0.720   4.713   3.369
  793   2HG2  VAL  95          3HG2      VAL  95   0.000   6.130   2.606
  794   3HG2  VAL  95          2HG2      VAL  95  -1.340   5.292   1.821
  795    H    LYS  96           HN       LYS  96   3.446   4.715   0.715
  796    HA   LYS  96           HA       LYS  96   4.162   2.307  -0.453
  797   1HB   LYS  96           HB2      LYS  96   5.722   4.848  -0.095
  798   2HB   LYS  96           HB1      LYS  96   6.351   3.482  -1.003
  799   1HG   LYS  96           HG2      LYS  96   3.763   4.867  -1.637
  800   2HG   LYS  96           HG1      LYS  96   5.313   5.269  -2.380
  801   1HD   LYS  96           HD2      LYS  96   5.379   2.697  -2.885
  802   2HD   LYS  96           HD1      LYS  96   3.630   2.830  -2.689
  803   1HE   LYS  96           HE2      LYS  96   4.251   3.099  -5.028
  804   2HE   LYS  96           HE1      LYS  96   3.581   4.598  -4.387
  805   1HZ   LYS  96           HZ3      LYS  96   5.837   5.442  -4.096
  806   2HZ   LYS  96           HZ2      LYS  96   6.476   4.003  -4.726
  807   3HZ   LYS  96           HZ1      LYS  96   5.550   5.023  -5.715
  808    H    LYS  97           HN       LYS  97   5.290   3.777   2.490
  809    HA   LYS  97           HA       LYS  97   7.570   2.116   2.854
  810   1HB   LYS  97           HB2      LYS  97   7.305   4.351   3.892
  811   2HB   LYS  97           HB1      LYS  97   5.993   3.723   4.875
  812   1HG   LYS  97           HG2      LYS  97   7.958   3.815   6.211
  813   2HG   LYS  97           HG1      LYS  97   7.598   2.119   5.884
  814   1HD   LYS  97           HD2      LYS  97   9.305   2.026   4.194
  815   2HD   LYS  97           HD1      LYS  97   9.584   3.764   4.325
  816   1HE   LYS  97           HE2      LYS  97  10.065   1.722   6.490
  817   2HE   LYS  97           HE1      LYS  97  11.305   2.492   5.502
  818   1HZ   LYS  97           HZ1      LYS  97   9.461   3.915   7.353
  819   2HZ   LYS  97           HZ3      LYS  97  11.084   3.543   7.676
  820   3HZ   LYS  97           HZ2      LYS  97  10.692   4.627   6.430
  821    H    LEU  98           HN       LEU  98   4.184   1.968   3.736
  822    HA   LEU  98           HA       LEU  98   4.644  -0.365   5.395
  823   1HB   LEU  98           HB2      LEU  98   2.345   1.444   4.924
  824   2HB   LEU  98           HB1      LEU  98   2.006  -0.184   5.477
  825    HG   LEU  98           HG       LEU  98   3.547   0.254   7.419
  826   1HD1  LEU  98          3HD1      LEU  98   3.382   3.087   6.408
  827   2HD1  LEU  98          2HD1      LEU  98   4.009   2.594   7.981
  828   3HD1  LEU  98          1HD1      LEU  98   4.831   2.087   6.505
  829   1HD2  LEU  98          2HD2      LEU  98   1.131   2.026   7.122
  830   2HD2  LEU  98          1HD2      LEU  98   1.137   0.340   7.641
  831   3HD2  LEU  98          3HD2      LEU  98   1.898   1.575   8.644
  832    H    LEU  99           HN       LEU  99   3.135   0.395   2.307
  833    HA   LEU  99           HA       LEU  99   1.693  -2.006   2.056
  834   1HB   LEU  99           HB2      LEU  99   1.417  -1.406  -0.330
  835   2HB   LEU  99           HB1      LEU  99   0.932  -0.168   0.804
  836    HG   LEU  99           HG       LEU  99   3.072   1.018   0.344
  837   1HD1  LEU  99          3HD1      LEU  99   4.388  -0.852  -0.511
  838   2HD1  LEU  99          2HD1      LEU  99   3.321  -0.962  -1.912
  839   3HD1  LEU  99          1HD1      LEU  99   4.318   0.474  -1.672
  840   1HD2  LEU  99          1HD2      LEU  99   0.986   1.682  -0.686
  841   2HD2  LEU  99          3HD2      LEU  99   2.329   1.906  -1.805
  842   3HD2  LEU  99          2HD2      LEU  99   1.246   0.528  -1.994
  843    H    VAL 100           HN       VAL 100   4.927  -1.769   2.120
  844    HA   VAL 100           HA       VAL 100   5.574  -3.555  -0.021
  845    HB   VAL 100           HB       VAL 100   7.286  -2.040   0.806
  846   1HG1  VAL 100          2HG1      VAL 100   7.088  -3.540   3.411
  847   2HG1  VAL 100          1HG1      VAL 100   8.320  -2.342   3.013
  848   3HG1  VAL 100          3HG1      VAL 100   6.626  -1.862   3.127
  849   1HG2  VAL 100          2HG2      VAL 100   8.023  -4.121  -0.192
  850   2HG2  VAL 100          1HG2      VAL 100   9.126  -3.630   1.094
  851   3HG2  VAL 100          3HG2      VAL 100   7.957  -4.918   1.379
  852    HA   PRO 101           HA       PRO 101   3.906  -7.111   2.084
  853   1HB   PRO 101           HB2      PRO 101   4.750  -8.951   0.271
  854   2HB   PRO 101           HB1      PRO 101   3.352  -7.902   0.006
  855   1HG   PRO 101           HG2      PRO 101   6.165  -7.581  -0.969
  856   2HG   PRO 101           HG1      PRO 101   4.647  -7.380  -1.864
  857   1HD   PRO 101           HD2      PRO 101   6.009  -5.272  -0.921
  858   2HD   PRO 101           HD1      PRO 101   4.231  -5.301  -0.929
  859    H    ALA 102           HN       ALA 102   7.164  -6.402   1.540
  860    HA   ALA 102           HA       ALA 102   9.086  -7.045   2.524
  861   1HB   ALA 102           HB3      ALA 102   8.959  -7.834   4.819
  862   2HB   ALA 102           HB2      ALA 102   7.774  -6.555   4.547
  863   3HB   ALA 102           HB1      ALA 102   7.255  -8.239   4.603
  864    H    ALA 103           HN       ALA 103   9.235  -9.547   4.224
  865    HA   ALA 103           HA       ALA 103   9.776 -11.722   4.027
  866   1HB   ALA 103           HB2      ALA 103   7.683 -11.682   1.861
  867   2HB   ALA 103           HB1      ALA 103   8.416 -13.144   2.528
  868   3HB   ALA 103           HB3      ALA 103   7.457 -12.088   3.560
  869    H    GLU 104           HN       GLU 104   9.237 -12.204   0.704
  870    HA   GLU 104           HA       GLU 104  12.000 -12.810   0.361
  871   1HB   GLU 104           HB2      GLU 104  10.288 -14.221  -0.642
  872   2HB   GLU 104           HB1      GLU 104   9.713 -12.869  -1.607
  873   1HG   GLU 104           HG2      GLU 104  11.651 -12.855  -2.935
  874   2HG   GLU 104           HG1      GLU 104  12.514 -13.915  -1.821
  875    H    GLY 105           HN       GLY 105   9.937 -10.851  -1.743
  876   1HA   GLY 105           HA1      GLY 105  12.269  -9.106  -2.185
  877   2HA   GLY 105           HA2      GLY 105  10.683  -8.428  -1.856
  878    H    GLU 106           HN       GLU 106  12.685  -8.531  -4.196
  879    HA   GLU 106           HA       GLU 106  12.368  -7.819  -6.320
  880   1HB   GLU 106           HB2      GLU 106  11.663  -9.549  -7.882
  881   2HB   GLU 106           HB1      GLU 106  12.932 -10.072  -6.795
  882   1HG   GLU 106           HG2      GLU 106  11.256 -11.303  -5.486
  883   2HG   GLU 106           HG1      GLU 106  10.010 -10.797  -6.631
  884    H    ASP 107           HN       ASP 107  10.408  -6.972  -4.678
  885    HA   ASP 107           HA       ASP 107   7.786  -7.251  -5.521
  886   1HB   ASP 107           HB2      ASP 107   7.487  -4.958  -4.419
  887   2HB   ASP 107           HB1      ASP 107   8.092  -6.267  -3.413
  888    H    SER 108           HN       SER 108   9.533  -4.265  -5.971
  889    HA   SER 108           HA       SER 108   7.991  -3.320  -8.067
  890   1HB   SER 108           HB2      SER 108  10.841  -2.771  -7.286
  891   2HB   SER 108           HB1      SER 108   9.901  -1.758  -8.382
  892    HG   SER 108           HG       SER 108   9.411  -2.282  -5.623
  893    H    LEU 109           HN       LEU 109  10.719  -5.481  -8.071
  894    HA   LEU 109           HA       LEU 109  11.474  -5.228 -10.775
  895   1HB   LEU 109           HB2      LEU 109  11.752  -7.591  -8.916
  896   2HB   LEU 109           HB1      LEU 109  12.565  -7.426 -10.461
  897    HG   LEU 109           HG       LEU 109  12.977  -5.654  -8.051
  898   1HD1  LEU 109          3HD1      LEU 109  14.755  -7.725  -9.331
  899   2HD1  LEU 109          2HD1      LEU 109  15.203  -6.664  -7.994
  900   3HD1  LEU 109          1HD1      LEU 109  13.937  -7.874  -7.776
  901   1HD2  LEU 109          1HD2      LEU 109  14.311  -5.641 -10.757
  902   2HD2  LEU 109          3HD2      LEU 109  13.226  -4.404 -10.122
  903   3HD2  LEU 109          2HD2      LEU 109  14.798  -4.670  -9.369
  904    H    LYS 110           HN       LYS 110   9.398  -7.637  -9.164
  905    HA   LYS 110           HA       LYS 110   8.675  -8.908 -11.628
  906   1HB   LYS 110           HB2      LYS 110   8.727  -9.968  -9.318
  907   2HB   LYS 110           HB1      LYS 110   7.239  -9.100  -8.978
  908   1HG   LYS 110           HG2      LYS 110   6.143 -10.834  -9.803
  909   2HG   LYS 110           HG1      LYS 110   6.772 -10.401 -11.396
  910   1HD   LYS 110           HD2      LYS 110   8.107 -12.234  -9.401
  911   2HD   LYS 110           HD1      LYS 110   7.237 -12.745 -10.848
  912   1HE   LYS 110           HE2      LYS 110   8.857 -11.725 -12.271
  913   2HE   LYS 110           HE1      LYS 110   9.639 -10.928 -10.907
  914   1HZ   LYS 110           HZ2      LYS 110   9.505 -13.872 -11.288
  915   2HZ   LYS 110           HZ1      LYS 110  10.840 -12.907 -11.693
  916   3HZ   LYS 110           HZ3      LYS 110  10.354 -13.041 -10.074
  917    H    LYS 111           HN       LYS 111   7.085  -6.740  -9.359
  918    HA   LYS 111           HA       LYS 111   4.543  -6.706 -10.500
  919   1HB   LYS 111           HB2      LYS 111   4.935  -5.952  -8.261
  920   2HB   LYS 111           HB1      LYS 111   6.032  -4.702  -8.816
  921   1HG   LYS 111           HG2      LYS 111   3.895  -3.790  -8.122
  922   2HG   LYS 111           HG1      LYS 111   4.193  -3.507  -9.836
  923   1HD   LYS 111           HD2      LYS 111   2.583  -5.034 -10.498
  924   2HD   LYS 111           HD1      LYS 111   2.631  -5.902  -8.960
  925   1HE   LYS 111           HE2      LYS 111   0.584  -4.487  -9.355
  926   2HE   LYS 111           HE1      LYS 111   1.447  -4.188  -7.848
  927   1HZ   LYS 111           HZ2      LYS 111   2.566  -2.302  -9.013
  928   2HZ   LYS 111           HZ1      LYS 111   1.506  -2.531 -10.318
  929   3HZ   LYS 111           HZ3      LYS 111   0.905  -2.102  -8.795
  930    H    MET 112           HN       MET 112   7.208  -4.385 -10.926
  931    HA   MET 112           HA       MET 112   5.625  -2.782 -12.694
  932   1HB   MET 112           HB2      MET 112   8.457  -2.607 -11.732
  933   2HB   MET 112           HB1      MET 112   7.859  -1.548 -13.006
  934   1HG   MET 112           HG2      MET 112   6.224  -0.607 -11.576
  935   2HG   MET 112           HG1      MET 112   6.520  -1.814 -10.328
  936   1HE   MET 112           HE3      MET 112   9.043   0.262 -12.547
  937   2HE   MET 112           HE2      MET 112   7.781   1.415 -12.120
  938   3HE   MET 112           HE1      MET 112   9.407   1.604 -11.462
  939    H    LYS 113           HN       LYS 113   8.058  -5.270 -13.137
  940    HA   LYS 113           HA       LYS 113   8.453  -4.648 -15.895
  941   1HB   LYS 113           HB2      LYS 113  10.195  -5.837 -14.736
  942   2HB   LYS 113           HB1      LYS 113   9.092  -7.143 -14.323
  943   1HG   LYS 113           HG2      LYS 113  10.633  -7.692 -16.181
  944   2HG   LYS 113           HG1      LYS 113   8.927  -7.814 -16.622
  945   1HD   LYS 113           HD2      LYS 113   9.462  -5.227 -17.264
  946   2HD   LYS 113           HD1      LYS 113  11.011  -5.998 -17.610
  947   1HE   LYS 113           HE2      LYS 113   8.344  -6.955 -18.647
  948   2HE   LYS 113           HE1      LYS 113   9.465  -5.938 -19.559
  949   1HZ   LYS 113           HZ2      LYS 113  11.145  -7.765 -19.192
  950   2HZ   LYS 113           HZ1      LYS 113   9.866  -8.739 -18.657
  951   3HZ   LYS 113           HZ3      LYS 113   9.870  -8.137 -20.246
  952    H    LEU 114           HN       LEU 114   6.209  -6.746 -14.157
  953    HA   LEU 114           HA       LEU 114   5.446  -8.019 -16.625
  954   1HB   LEU 114           HB2      LEU 114   4.335  -8.299 -13.835
  955   2HB   LEU 114           HB1      LEU 114   3.768  -9.217 -15.215
  956    HG   LEU 114           HG       LEU 114   6.548  -9.329 -14.040
  957   1HD1  LEU 114          2HD1      LEU 114   4.285 -11.323 -14.021
  958   2HD1  LEU 114          1HD1      LEU 114   5.917 -11.616 -13.419
  959   3HD1  LEU 114          3HD1      LEU 114   4.892 -10.414 -12.636
  960   1HD2  LEU 114          1HD2      LEU 114   6.580  -9.649 -16.458
  961   2HD2  LEU 114          3HD2      LEU 114   6.924 -11.158 -15.615
  962   3HD2  LEU 114          2HD2      LEU 114   5.330 -10.885 -16.319
  963    H    MET 115           HN       MET 115   3.549  -6.218 -14.160
  964    HA   MET 115           HA       MET 115   1.507  -5.833 -16.216
  965   1HB   MET 115           HB2      MET 115   0.821  -6.717 -14.013
  966   2HB   MET 115           HB1      MET 115   1.344  -5.208 -13.270
  967   1HG   MET 115           HG2      MET 115  -0.277  -4.008 -14.727
  968   2HG   MET 115           HG1      MET 115  -0.872  -5.577 -15.271
  969   1HE   MET 115           HE2      MET 115   0.390  -4.527 -11.707
  970   2HE   MET 115           HE1      MET 115  -0.494  -3.105 -12.265
  971   3HE   MET 115           HE3      MET 115  -1.124  -4.065 -10.925
  972    H    GLU 116           HN       GLU 116   3.468  -3.890 -13.973
  973    HA   GLU 116           HA       GLU 116   2.332  -1.406 -14.683
  974   1HB   GLU 116           HB2      GLU 116   5.108  -1.937 -13.628
  975   2HB   GLU 116           HB1      GLU 116   4.278  -0.389 -13.616
  976   1HG   GLU 116           HG2      GLU 116   3.330  -2.843 -12.162
  977   2HG   GLU 116           HG1      GLU 116   4.287  -1.555 -11.432
  978    H    LEU 117           HN       LEU 117   4.341  -3.470 -16.373
  979    HA   LEU 117           HA       LEU 117   5.766  -1.619 -17.994
  980   1HB   LEU 117           HB2      LEU 117   6.096  -4.197 -17.590
  981   2HB   LEU 117           HB1      LEU 117   4.964  -4.361 -18.913
  982    HG   LEU 117           HG       LEU 117   7.394  -4.557 -19.535
  983   1HD1  LEU 117          1HD1      LEU 117   5.848  -2.326 -20.855
  984   2HD1  LEU 117          3HD1      LEU 117   7.220  -3.188 -21.552
  985   3HD1  LEU 117          2HD1      LEU 117   5.717  -4.046 -21.219
  986   1HD2  LEU 117          3HD2      LEU 117   7.386  -1.608 -18.910
  987   2HD2  LEU 117          2HD2      LEU 117   8.290  -2.861 -18.060
  988   3HD2  LEU 117          1HD2      LEU 117   8.677  -2.477 -19.737
  989    H    ALA 118           HN       ALA 118   2.683  -3.290 -18.200
  990    HA   ALA 118           HA       ALA 118   2.007  -2.054 -20.699
  991   1HB   ALA 118           HB1      ALA 118   1.338  -4.366 -20.288
  992   2HB   ALA 118           HB2      ALA 118  -0.063  -3.326 -20.552
  993   3HB   ALA 118           HB3      ALA 118   0.364  -3.832 -18.917
  994    H    ILE 119           HN       ILE 119   1.027  -1.929 -17.334
  995    HA   ILE 119           HA       ILE 119  -0.014  -0.398 -16.053
  996    HB   ILE 119           HB       ILE 119  -0.050   1.596 -18.306
  997   1HG1  ILE 119          2HG1      ILE 119   2.260   1.044 -16.419
  998   2HG1  ILE 119          1HG1      ILE 119   2.247   0.640 -18.130
  999   1HG2  ILE 119          2HG2      ILE 119  -1.268   2.104 -16.253
 1000   2HG2  ILE 119          1HG2      ILE 119   0.198   1.821 -15.312
 1001   3HG2  ILE 119          3HG2      ILE 119   0.120   3.174 -16.444
 1002   1HD1  ILE 119          2HD1      ILE 119   2.042   3.029 -18.667
 1003   2HD1  ILE 119          1HD1      ILE 119   2.123   3.402 -16.947
 1004   3HD1  ILE 119          3HD1      ILE 119   3.504   2.659 -17.753
 1005    H    LEU 120           HN       LEU 120  -1.245  -0.139 -19.381
 1006    HA   LEU 120           HA       LEU 120  -3.975   0.117 -18.488
 1007   1HB   LEU 120           HB2      LEU 120  -2.744  -0.251 -21.216
 1008   2HB   LEU 120           HB1      LEU 120  -4.472  -0.147 -20.955
 1009    HG   LEU 120           HG       LEU 120  -3.754   1.996 -21.683
 1010   1HD1  LEU 120          3HD1      LEU 120  -4.125   2.036 -18.694
 1011   2HD1  LEU 120          2HD1      LEU 120  -4.275   3.433 -19.758
 1012   3HD1  LEU 120          1HD1      LEU 120  -5.394   2.081 -19.918
 1013   1HD2  LEU 120          1HD2      LEU 120  -1.661   1.905 -19.516
 1014   2HD2  LEU 120          3HD2      LEU 120  -1.374   1.778 -21.253
 1015   3HD2  LEU 120          2HD2      LEU 120  -1.999   3.279 -20.570
 1016    H    ASN 121           HN       ASN 121  -5.551  -1.444 -19.826
 1017    HA   ASN 121           HA       ASN 121  -5.265  -3.957 -18.555
 1018   1HB   ASN 121           HB2      ASN 121  -7.361  -4.559 -19.459
 1019   2HB   ASN 121           HB1      ASN 121  -7.445  -2.833 -19.149
 1020   1HD2  ASN 121          1HD2      ASN 121  -5.955  -2.073 -21.538
 1021   2HD2  ASN 121          2HD2      ASN 121  -7.030  -2.338 -22.859
 1022    H    GLY 122           HN       GLY 122  -3.479  -3.024 -21.054
 1023   1HA   GLY 122           HA1      GLY 122  -2.873  -5.758 -21.761
 1024   2HA   GLY 122           HA2      GLY 122  -1.977  -4.327 -22.251
 1025    H    THR 123           HN       THR 123  -5.288  -5.528 -22.718
 1026    HA   THR 123           HA       THR 123  -5.141  -6.100 -25.428
 1027    HB   THR 123           HB       THR 123  -7.558  -5.054 -23.944
 1028    HG1  THR 123           HG1      THR 123  -7.873  -7.184 -23.302
 1029   1HG2  THR 123          3HG2      THR 123  -7.866  -5.226 -26.374
 1030   2HG2  THR 123          2HG2      THR 123  -7.316  -6.900 -26.327
 1031   3HG2  THR 123          1HG2      THR 123  -8.820  -6.445 -25.527
 1032    H    TYR 124           HN       TYR 124  -5.924  -3.076 -23.805
 1033    HA   TYR 124           HA       TYR 124  -5.810  -1.698 -26.407
 1034   1HB   TYR 124           HB2      TYR 124  -7.491  -0.917 -24.014
 1035   2HB   TYR 124           HB1      TYR 124  -7.402  -0.050 -25.540
 1036    HD1  TYR 124           HD1      TYR 124  -9.130  -2.544 -23.686
 1037    HD2  TYR 124           HD2      TYR 124  -8.152  -1.341 -27.649
 1038    HE1  TYR 124           HE1      TYR 124 -10.990  -3.900 -24.553
 1039    HE2  TYR 124           HE2      TYR 124 -10.009  -2.689 -28.524
 1040    HH   TYR 124           HH       TYR 124 -12.451  -3.957 -26.568
 1041    H    ARG 125           HN       ARG 125  -3.664  -1.080 -26.266
 1042    HA   ARG 125           HA       ARG 125  -2.847   0.543 -24.005
 1043   1HB   ARG 125           HB2      ARG 125  -1.407  -0.227 -26.542
 1044   2HB   ARG 125           HB1      ARG 125  -0.720   0.821 -25.310
 1045   1HG   ARG 125           HG2      ARG 125  -0.938  -1.021 -23.676
 1046   2HG   ARG 125           HG1      ARG 125  -1.511  -2.065 -24.980
 1047   1HD   ARG 125           HD2      ARG 125   1.176  -0.706 -24.810
 1048   2HD   ARG 125           HD1      ARG 125   0.856  -2.428 -24.603
 1049    HE   ARG 125           HE       ARG 125   0.134  -1.169 -27.145
 1050   1HH1  ARG 125          1HH1      ARG 125   2.335  -3.245 -25.357
 1051   2HH1  ARG 125          2HH1      ARG 125   2.937  -4.036 -26.790
 1052   1HH2  ARG 125          1HH2      ARG 125   0.927  -2.204 -29.003
 1053   2HH2  ARG 125          2HH2      ARG 125   2.142  -3.435 -28.854
 1054    H    ASP 126           HN       ASP 126  -4.663   0.935 -26.686
 1055    HA   ASP 126           HA       ASP 126  -3.904   3.451 -27.651
 1056   1HB   ASP 126           HB2      ASP 126  -6.633   2.147 -27.548
 1057   2HB   ASP 126           HB1      ASP 126  -6.175   3.490 -28.576
 1058    H    ALA 127           HN       ALA 127  -5.831   2.405 -24.927
 1059    HA   ALA 127           HA       ALA 127  -6.957   4.942 -24.312
 1060   1HB   ALA 127           HB1      ALA 127  -6.576   2.522 -22.554
 1061   2HB   ALA 127           HB3      ALA 127  -7.607   3.907 -22.193
 1062   3HB   ALA 127           HB2      ALA 127  -7.984   2.860 -23.561
 1063    H    ASN 128           HN       ASN 128  -3.840   3.940 -24.227
 1064    HA   ASN 128           HA       ASN 128  -2.926   5.030 -21.760
 1065   1HB   ASN 128           HB2      ASN 128  -1.647   3.341 -22.962
 1066   2HB   ASN 128           HB1      ASN 128  -1.484   4.408 -24.347
 1067   1HD2  ASN 128          1HD2      ASN 128   0.754   4.142 -24.233
 1068   2HD2  ASN 128          2HD2      ASN 128   1.703   4.980 -23.051
 1069    H    LEU 129           HN       LEU 129  -3.316   6.257 -25.038
 1070    HA   LEU 129           HA       LEU 129  -2.779   8.959 -24.008
 1071   1HB   LEU 129           HB2      LEU 129  -1.688   9.600 -26.035
 1072   2HB   LEU 129           HB1      LEU 129  -0.903   8.163 -25.422
 1073    HG   LEU 129           HG       LEU 129  -2.929   8.137 -27.653
 1074   1HD1  LEU 129          2HD1      LEU 129   0.079   8.161 -27.802
 1075   2HD1  LEU 129          1HD1      LEU 129  -1.012   7.890 -29.161
 1076   3HD1  LEU 129          3HD1      LEU 129  -1.006   9.446 -28.331
 1077   1HD2  LEU 129          1HD2      LEU 129  -2.670   6.002 -26.482
 1078   2HD2  LEU 129          3HD2      LEU 129  -2.018   5.919 -28.119
 1079   3HD2  LEU 129          2HD2      LEU 129  -0.926   6.071 -26.742
 1080    H    LYS 130           HN       LYS 130  -4.993   6.907 -25.334
 1081    HA   LYS 130           HA       LYS 130  -7.057   7.120 -26.233
 1082   1HB   LYS 130           HB2      LYS 130  -6.695  10.062 -25.623
 1083   2HB   LYS 130           HB1      LYS 130  -8.207   9.309 -26.113
 1084   1HG   LYS 130           HG2      LYS 130  -8.169   7.928 -24.095
 1085   2HG   LYS 130           HG1      LYS 130  -6.663   8.702 -23.602
 1086   1HD   LYS 130           HD2      LYS 130  -8.495   9.734 -22.426
 1087   2HD   LYS 130           HD1      LYS 130  -7.846  10.886 -23.593
 1088   1HE   LYS 130           HE2      LYS 130 -10.267  10.950 -23.625
 1089   2HE   LYS 130           HE1      LYS 130  -9.661  10.301 -25.148
 1090   1HZ   LYS 130           HZ2      LYS 130 -10.540   8.562 -22.912
 1091   2HZ   LYS 130           HZ1      LYS 130 -11.602   9.099 -24.117
 1092   3HZ   LYS 130           HZ3      LYS 130 -10.276   8.130 -24.531
 1093    H    SER 131           HN       SER 131  -8.238   8.840 -27.962
 1094    HA   SER 131           HA       SER 131  -6.643   8.500 -30.332
 1095   1HB   SER 131           HB2      SER 131  -9.338   9.845 -30.012
 1096   2HB   SER 131           HB1      SER 131  -8.615   9.292 -31.522
 1097    HG   SER 131           HG       SER 131  -8.668   7.151 -30.619
 1098    HA   PRO 132           HA       PRO 132  -4.985  12.646 -29.807
 1099   1HB   PRO 132           HB2      PRO 132  -2.986  11.985 -31.750
 1100   2HB   PRO 132           HB1      PRO 132  -2.807  12.090 -30.000
 1101   1HG   PRO 132           HG2      PRO 132  -2.619   9.759 -31.468
 1102   2HG   PRO 132           HG1      PRO 132  -2.981   9.840 -29.735
 1103   1HD   PRO 132           HD2      PRO 132  -4.840   9.466 -32.047
 1104   2HD   PRO 132           HD1      PRO 132  -4.882   8.727 -30.430
 1105    H    ALA 133           HN       ALA 133  -6.973  11.657 -31.995
 1106    HA   ALA 133           HA       ALA 133  -8.067  12.588 -33.750
 1107   1HB   ALA 133           HB2      ALA 133  -6.341  15.003 -33.219
 1108   2HB   ALA 133           HB3      ALA 133  -7.891  14.660 -32.453
 1109   3HB   ALA 133           HB1      ALA 133  -7.814  14.965 -34.188
 1110    H    LEU 134           HN       LEU 134  -5.551  11.103 -34.110
 1111    HA   LEU 134           HA       LEU 134  -5.094  11.909 -36.871
 1112   1HB   LEU 134           HB2      LEU 134  -2.654  11.393 -36.622
 1113   2HB   LEU 134           HB1      LEU 134  -3.195  12.859 -35.836
 1114    HG   LEU 134           HG       LEU 134  -3.339  11.235 -33.727
 1115   1HD1  LEU 134          3HD1      LEU 134  -2.669   9.230 -34.950
 1116   2HD1  LEU 134          2HD1      LEU 134  -1.155  10.011 -35.411
 1117   3HD1  LEU 134          1HD1      LEU 134  -1.484   9.655 -33.715
 1118   1HD2  LEU 134          2HD2      LEU 134  -0.800  12.470 -34.786
 1119   2HD2  LEU 134          1HD2      LEU 134  -2.053  13.293 -33.856
 1120   3HD2  LEU 134          3HD2      LEU 134  -1.102  12.009 -33.110

  No H/Q in entry =        1120
  Start of MODEL   14
    1    H1   GLN   1           HT3      GLN   1 -12.044  12.696 -11.737
    2    H2   GLN   1           HT2      GLN   1 -12.817  14.036 -11.043
    3    H3   GLN   1           HT1      GLN   1 -11.709  14.254 -12.307
    4    HA   GLN   1           HA       GLN   1 -10.632  14.875 -10.325
    5   1HB   GLN   1           HB2      GLN   1 -10.391  13.335  -8.444
    6   2HB   GLN   1           HB1      GLN   1 -12.082  13.684  -8.758
    7   1HG   GLN   1           HG2      GLN   1 -12.034  11.496 -10.114
    8   2HG   GLN   1           HG1      GLN   1 -10.551  11.187  -9.222
    9   1HE2  GLN   1          1HE2      GLN   1 -11.475  12.573  -6.843
   10   2HE2  GLN   1          2HE2      GLN   1 -12.629  11.531  -6.086
   11    H    LEU   2           HN       LEU   2  -8.514  13.945  -9.497
   12    HA   LEU   2           HA       LEU   2  -7.277  12.382 -11.654
   13   1HB   LEU   2           HB2      LEU   2  -5.898  14.165 -11.623
   14   2HB   LEU   2           HB1      LEU   2  -6.497  14.710 -10.074
   15    HG   LEU   2           HG       LEU   2  -4.985  13.025  -8.999
   16   1HD1  LEU   2          3HD1      LEU   2  -4.633  11.564 -10.931
   17   2HD1  LEU   2          2HD1      LEU   2  -3.805  12.873 -11.775
   18   3HD1  LEU   2          1HD1      LEU   2  -3.099  12.182 -10.314
   19   1HD2  LEU   2          2HD2      LEU   2  -4.439  15.400  -9.098
   20   2HD2  LEU   2          1HD2      LEU   2  -2.989  14.406  -9.244
   21   3HD2  LEU   2          3HD2      LEU   2  -3.685  15.166 -10.676
   22    H    GLN   3           HN       GLN   3  -6.367  10.424 -11.157
   23    HA   GLN   3           HA       GLN   3  -6.195   9.701  -8.320
   24   1HB   GLN   3           HB2      GLN   3  -7.055   7.498 -10.069
   25   2HB   GLN   3           HB1      GLN   3  -7.588   7.920  -8.439
   26   1HG   GLN   3           HG2      GLN   3  -8.955   9.760  -9.512
   27   2HG   GLN   3           HG1      GLN   3  -8.591   9.004 -11.064
   28   1HE2  GLN   3          1HE2      GLN   3  -8.591   6.333  -9.774
   29   2HE2  GLN   3          2HE2      GLN   3 -10.253   5.924  -9.532
   30    H    GLU   4           HN       GLU   4  -4.341   8.694  -7.823
   31    HA   GLU   4           HA       GLU   4  -3.010   7.220 -10.002
   32   1HB   GLU   4           HB2      GLU   4  -1.557   7.868  -7.479
   33   2HB   GLU   4           HB1      GLU   4  -0.925   7.649  -9.106
   34   1HG   GLU   4           HG2      GLU   4  -2.312   9.854  -9.536
   35   2HG   GLU   4           HG1      GLU   4  -2.050  10.039  -7.798
   36    H    LYS   5           HN       LYS   5  -3.269   5.101  -9.832
   37    HA   LYS   5           HA       LYS   5  -4.003   4.001  -7.211
   38   1HB   LYS   5           HB2      LYS   5  -3.801   2.072  -9.389
   39   2HB   LYS   5           HB1      LYS   5  -5.121   2.365  -8.274
   40   1HG   LYS   5           HG2      LYS   5  -4.591   4.208 -10.511
   41   2HG   LYS   5           HG1      LYS   5  -5.480   2.712 -10.791
   42   1HD   LYS   5           HD2      LYS   5  -6.899   3.590  -8.769
   43   2HD   LYS   5           HD1      LYS   5  -6.230   5.155  -9.251
   44   1HE   LYS   5           HE2      LYS   5  -8.031   3.312 -10.774
   45   2HE   LYS   5           HE1      LYS   5  -8.203   5.039 -10.473
   46   1HZ   LYS   5           HZ3      LYS   5  -6.161   3.819 -12.256
   47   2HZ   LYS   5           HZ2      LYS   5  -7.606   4.532 -12.779
   48   3HZ   LYS   5           HZ1      LYS   5  -6.423   5.482 -12.023
   49    H    LEU   6           HN       LEU   6  -2.419   3.347  -6.030
   50    HA   LEU   6           HA       LEU   6  -0.003   2.363  -7.334
   51   1HB   LEU   6           HB2      LEU   6  -0.489   3.019  -4.428
   52   2HB   LEU   6           HB1      LEU   6   1.062   2.622  -5.157
   53    HG   LEU   6           HG       LEU   6  -0.618   5.023  -5.903
   54   1HD1  LEU   6          2HD1      LEU   6   1.876   4.849  -4.212
   55   2HD1  LEU   6          1HD1      LEU   6   1.085   6.337  -4.742
   56   3HD1  LEU   6          3HD1      LEU   6   0.252   5.238  -3.641
   57   1HD2  LEU   6          3HD2      LEU   6   0.782   4.196  -7.721
   58   2HD2  LEU   6          2HD2      LEU   6   1.361   5.750  -7.121
   59   3HD2  LEU   6          1HD2      LEU   6   2.198   4.262  -6.672
   60    H    TYR   7           HN       TYR   7  -0.445   0.412  -7.981
   61    HA   TYR   7           HA       TYR   7  -2.229  -1.340  -6.648
   62   1HB   TYR   7           HB2      TYR   7  -0.467  -1.528  -9.061
   63   2HB   TYR   7           HB1      TYR   7  -1.180  -2.997  -8.399
   64    HD1  TYR   7           HD1      TYR   7  -3.363  -3.589  -8.921
   65    HD2  TYR   7           HD2      TYR   7  -2.045   0.376  -9.699
   66    HE1  TYR   7           HE1      TYR   7  -5.449  -3.146 -10.132
   67    HE2  TYR   7           HE2      TYR   7  -4.129   0.835 -10.916
   68    HH   TYR   7           HH       TYR   7  -6.803  -1.386 -10.880
   69    H    VAL   8           HN       VAL   8  -1.881  -2.835  -5.177
   70    HA   VAL   8           HA       VAL   8   0.789  -4.070  -5.100
   71    HB   VAL   8           HB       VAL   8   0.007  -4.863  -2.761
   72   1HG1  VAL   8          2HG1      VAL   8   0.726  -1.970  -3.218
   73   2HG1  VAL   8          1HG1      VAL   8   0.896  -2.841  -1.693
   74   3HG1  VAL   8          3HG1      VAL   8   1.854  -3.322  -3.094
   75   1HG2  VAL   8          1HG2      VAL   8  -1.874  -2.547  -3.239
   76   2HG2  VAL   8          3HG2      VAL   8  -2.286  -4.220  -2.824
   77   3HG2  VAL   8          2HG2      VAL   8  -1.489  -3.186  -1.634
   78    HA   PRO   9           HA       PRO   9  -1.901  -7.058  -6.946
   79   1HB   PRO   9           HB2      PRO   9  -0.009  -8.912  -7.551
   80   2HB   PRO   9           HB1      PRO   9  -0.250  -7.434  -8.495
   81   1HG   PRO   9           HG2      PRO   9   1.793  -8.040  -6.399
   82   2HG   PRO   9           HG1      PRO   9   1.988  -7.179  -7.939
   83   1HD   PRO   9           HD2      PRO   9   1.759  -5.902  -5.545
   84   2HD   PRO   9           HD1      PRO   9   1.199  -5.195  -7.074
   85    H    VAL  10           HN       VAL  10  -3.052  -7.623  -5.105
   86    HA   VAL  10           HA       VAL  10  -2.039  -9.137  -2.969
   87    HB   VAL  10           HB       VAL  10  -4.193  -7.793  -3.065
   88   1HG1  VAL  10          1HG1      VAL  10  -5.159  -8.784  -5.054
   89   2HG1  VAL  10          3HG1      VAL  10  -5.274 -10.343  -4.236
   90   3HG1  VAL  10          2HG1      VAL  10  -6.235  -8.976  -3.669
   91   1HG2  VAL  10          2HG2      VAL  10  -4.231 -10.546  -1.846
   92   2HG2  VAL  10          1HG2      VAL  10  -3.594  -9.072  -1.114
   93   3HG2  VAL  10          3HG2      VAL  10  -5.326  -9.233  -1.411
   94    H    LYS  11           HN       LYS  11  -2.970  -9.945  -6.124
   95    HA   LYS  11           HA       LYS  11  -3.524 -12.730  -5.725
   96   1HB   LYS  11           HB2      LYS  11  -2.743 -11.286  -8.268
   97   2HB   LYS  11           HB1      LYS  11  -3.493 -12.872  -8.160
   98   1HG   LYS  11           HG2      LYS  11  -4.892 -10.518  -6.985
   99   2HG   LYS  11           HG1      LYS  11  -4.919 -10.759  -8.727
  100   1HD   LYS  11           HD2      LYS  11  -6.878 -11.778  -7.830
  101   2HD   LYS  11           HD1      LYS  11  -5.779 -13.072  -8.307
  102   1HE   LYS  11           HE2      LYS  11  -5.113 -13.411  -6.019
  103   2HE   LYS  11           HE1      LYS  11  -6.058 -12.017  -5.497
  104   1HZ   LYS  11           HZ3      LYS  11  -7.212 -14.448  -6.753
  105   2HZ   LYS  11           HZ2      LYS  11  -7.139 -14.180  -5.082
  106   3HZ   LYS  11           HZ1      LYS  11  -8.066 -13.155  -6.063
  107    H    GLU  12           HN       GLU  12  -0.787 -10.736  -6.175
  108    HA   GLU  12           HA       GLU  12   1.084 -12.830  -6.778
  109   1HB   GLU  12           HB2      GLU  12   1.292  -9.923  -6.051
  110   2HB   GLU  12           HB1      GLU  12   2.713 -10.940  -6.145
  111   1HG   GLU  12           HG2      GLU  12   0.782 -10.598  -8.413
  112   2HG   GLU  12           HG1      GLU  12   2.217  -9.600  -8.193
  113    H    TYR  13           HN       TYR  13  -0.091 -11.112  -3.973
  114    HA   TYR  13           HA       TYR  13   1.586 -12.815  -2.244
  115   1HB   TYR  13           HB2      TYR  13   0.535 -10.065  -1.529
  116   2HB   TYR  13           HB1      TYR  13   1.704 -11.028  -0.630
  117    HD1  TYR  13           HD1      TYR  13   4.004 -11.056  -1.234
  118    HD2  TYR  13           HD2      TYR  13   1.194  -8.958  -3.635
  119    HE1  TYR  13           HE1      TYR  13   5.855  -9.931  -2.386
  120    HE2  TYR  13           HE2      TYR  13   3.046  -7.816  -4.802
  121    HH   TYR  13           HH       TYR  13   6.361  -8.781  -4.362
  122    HA   PRO  14           HA       PRO  14  -2.927 -13.723  -1.654
  123   1HB   PRO  14           HB2      PRO  14  -2.632 -16.397  -1.248
  124   2HB   PRO  14           HB1      PRO  14  -2.758 -15.673  -2.855
  125   1HG   PRO  14           HG2      PRO  14  -0.318 -16.544  -1.356
  126   2HG   PRO  14           HG1      PRO  14  -0.723 -16.776  -3.068
  127   1HD   PRO  14           HD2      PRO  14   0.972 -14.844  -2.227
  128   2HD   PRO  14           HD1      PRO  14  -0.085 -14.634  -3.637
  129    H    ASP  15           HN       ASP  15  -0.107 -14.279   0.231
  130    HA   ASP  15           HA       ASP  15  -1.725 -14.809   2.614
  131   1HB   ASP  15           HB2      ASP  15   0.997 -15.574   1.790
  132   2HB   ASP  15           HB1      ASP  15   0.823 -15.116   3.482
  133    H    PHE  16           HN       PHE  16  -0.619 -12.172   1.079
  134    HA   PHE  16           HA       PHE  16  -0.215 -10.834   3.663
  135   1HB   PHE  16           HB2      PHE  16   1.768 -10.679   2.100
  136   2HB   PHE  16           HB1      PHE  16   0.748  -9.617   1.102
  137    HD1  PHE  16           HD1      PHE  16   1.762 -10.067   4.667
  138    HD2  PHE  16           HD2      PHE  16   0.730  -7.389   1.535
  139    HE1  PHE  16           HE1      PHE  16   2.357  -8.175   6.097
  140    HE2  PHE  16           HE2      PHE  16   1.320  -5.482   2.965
  141    HZ   PHE  16           HZ       PHE  16   1.727  -5.944   5.459
  142    H    ASN  17           HN       ASN  17  -1.668  -9.594   4.311
  143    HA   ASN  17           HA       ASN  17  -3.814  -8.781   2.493
  144   1HB   ASN  17           HB2      ASN  17  -4.650 -10.116   4.238
  145   2HB   ASN  17           HB1      ASN  17  -3.596  -9.373   5.431
  146   1HD2  ASN  17          1HD2      ASN  17  -4.205  -7.603   6.485
  147   2HD2  ASN  17          2HD2      ASN  17  -5.837  -6.991   6.408
  148    H    PHE  18           HN       PHE  18  -3.125  -6.865   1.642
  149    HA   PHE  18           HA       PHE  18  -1.586  -4.969   3.042
  150   1HB   PHE  18           HB2      PHE  18  -3.183  -4.669   0.497
  151   2HB   PHE  18           HB1      PHE  18  -2.041  -3.466   1.116
  152    HD1  PHE  18           HD1      PHE  18   0.393  -4.202   1.450
  153    HD2  PHE  18           HD2      PHE  18  -2.472  -6.421  -0.773
  154    HE1  PHE  18           HE1      PHE  18   2.224  -5.383   0.276
  155    HE2  PHE  18           HE2      PHE  18  -0.675  -7.588  -1.944
  156    HZ   PHE  18           HZ       PHE  18   1.791  -7.074  -1.219
  157    H    VAL  19           HN       VAL  19  -5.014  -5.378   2.770
  158    HA   VAL  19           HA       VAL  19  -5.827  -2.805   3.561
  159    HB   VAL  19           HB       VAL  19  -7.131  -5.511   3.867
  160   1HG1  VAL  19          1HG1      VAL  19  -8.310  -2.811   4.492
  161   2HG1  VAL  19          3HG1      VAL  19  -9.210  -4.324   4.405
  162   3HG1  VAL  19          2HG1      VAL  19  -7.979  -4.102   5.646
  163   1HG2  VAL  19          2HG2      VAL  19  -6.887  -4.690   1.590
  164   2HG2  VAL  19          1HG2      VAL  19  -8.583  -4.685   2.073
  165   3HG2  VAL  19          3HG2      VAL  19  -7.671  -3.174   2.038
  166    H    GLY  20           HN       GLY  20  -5.316  -5.724   5.543
  167   1HA   GLY  20           HA1      GLY  20  -5.085  -5.930   7.840
  168   2HA   GLY  20           HA2      GLY  20  -5.757  -4.316   7.998
  169    H    ARG  21           HN       ARG  21  -3.136  -4.734   5.887
  170    HA   ARG  21           HA       ARG  21  -1.098  -4.081   7.782
  171   1HB   ARG  21           HB2      ARG  21  -0.039  -5.206   6.153
  172   2HB   ARG  21           HB1      ARG  21  -1.261  -4.841   4.951
  173   1HG   ARG  21           HG2      ARG  21   0.484  -3.719   4.035
  174   2HG   ARG  21           HG1      ARG  21  -0.105  -2.442   5.100
  175   1HD   ARG  21           HD2      ARG  21   2.250  -4.257   5.470
  176   2HD   ARG  21           HD1      ARG  21   2.203  -2.511   5.436
  177    HE   ARG  21           HE       ARG  21   1.287  -2.493   7.623
  178   1HH1  ARG  21          1HH1      ARG  21   2.230  -5.690   6.568
  179   2HH1  ARG  21          2HH1      ARG  21   2.381  -6.320   8.175
  180   1HH2  ARG  21          1HH2      ARG  21   1.520  -3.308   9.747
  181   2HH2  ARG  21          2HH2      ARG  21   2.000  -4.960   9.986
  182    H    ILE  22           HN       ILE  22  -2.936  -2.371   5.299
  183    HA   ILE  22           HA       ILE  22  -1.429   0.066   5.755
  184    HB   ILE  22           HB       ILE  22  -3.651  -0.644   3.854
  185   1HG1  ILE  22          2HG1      ILE  22  -1.544  -1.619   3.232
  186   2HG1  ILE  22          1HG1      ILE  22  -1.881  -0.282   2.139
  187   1HG2  ILE  22          1HG2      ILE  22  -3.885   1.685   4.505
  188   2HG2  ILE  22          3HG2      ILE  22  -2.209   1.985   4.041
  189   3HG2  ILE  22          2HG2      ILE  22  -3.392   1.520   2.818
  190   1HD1  ILE  22          1HD1      ILE  22  -0.370   1.128   3.526
  191   2HD1  ILE  22          3HD1      ILE  22   0.055  -0.320   4.435
  192   3HD1  ILE  22          2HD1      ILE  22   0.423  -0.220   2.714
  193    H    LEU  23           HN       LEU  23  -4.922  -0.774   5.757
  194    HA   LEU  23           HA       LEU  23  -5.241   1.515   7.529
  195   1HB   LEU  23           HB2      LEU  23  -7.609   1.631   6.882
  196   2HB   LEU  23           HB1      LEU  23  -6.491   1.930   5.580
  197    HG   LEU  23           HG       LEU  23  -8.411   0.735   4.781
  198   1HD1  LEU  23          2HD1      LEU  23  -5.993  -1.044   4.824
  199   2HD1  LEU  23          1HD1      LEU  23  -7.366  -1.199   3.726
  200   3HD1  LEU  23          3HD1      LEU  23  -6.346   0.239   3.664
  201   1HD2  LEU  23          2HD2      LEU  23  -7.730  -1.396   6.789
  202   2HD2  LEU  23          1HD2      LEU  23  -9.151  -0.350   6.789
  203   3HD2  LEU  23          3HD2      LEU  23  -8.937  -1.544   5.509
  204    H    GLY  24           HN       GLY  24  -4.958  -1.703   7.803
  205   1HA   GLY  24           HA1      GLY  24  -5.323  -3.101   9.595
  206   2HA   GLY  24           HA2      GLY  24  -7.006  -2.655   9.373
  207    HA   PRO  25           HA       PRO  25  -5.500  -0.726  13.393
  208   1HB   PRO  25           HB2      PRO  25  -2.912  -0.231  13.855
  209   2HB   PRO  25           HB1      PRO  25  -3.558  -1.874  13.925
  210   1HG   PRO  25           HG2      PRO  25  -1.979  -0.546  11.766
  211   2HG   PRO  25           HG1      PRO  25  -1.890  -2.214  12.358
  212   1HD   PRO  25           HD2      PRO  25  -3.246  -1.394  10.075
  213   2HD   PRO  25           HD1      PRO  25  -3.533  -2.911  10.945
  214    H    ARG  26           HN       ARG  26  -4.355   0.580  10.462
  215    HA   ARG  26           HA       ARG  26  -4.177   3.279  11.613
  216   1HB   ARG  26           HB2      ARG  26  -2.602   2.062   9.345
  217   2HB   ARG  26           HB1      ARG  26  -2.588   3.778   9.733
  218   1HG   ARG  26           HG2      ARG  26  -1.687   3.294  11.936
  219   2HG   ARG  26           HG1      ARG  26  -1.750   1.566  11.594
  220   1HD   ARG  26           HD2      ARG  26  -0.117   3.580  10.057
  221   2HD   ARG  26           HD1      ARG  26   0.509   2.519  11.319
  222    HE   ARG  26           HE       ARG  26  -0.741   1.398   8.906
  223   1HH1  ARG  26          1HH1      ARG  26   1.990   1.696  11.074
  224   2HH1  ARG  26          2HH1      ARG  26   2.930   0.470  10.272
  225   1HH2  ARG  26          1HH2      ARG  26   0.485  -0.225   7.847
  226   2HH2  ARG  26          2HH2      ARG  26   2.097  -0.587   8.405
  227    H    GLY  27           HN       GLY  27  -6.573   1.978  10.512
  228   1HA   GLY  27           HA1      GLY  27  -8.415   2.760   9.374
  229   2HA   GLY  27           HA2      GLY  27  -7.303   2.967   8.031
  230    H    LEU  28           HN       LEU  28  -7.217   4.620  11.125
  231    HA   LEU  28           HA       LEU  28  -8.358   7.053  10.350
  232   1HB   LEU  28           HB2      LEU  28  -6.170   6.513  12.354
  233   2HB   LEU  28           HB1      LEU  28  -7.007   8.045  12.197
  234    HG   LEU  28           HG       LEU  28  -8.279   5.418  12.977
  235   1HD1  LEU  28          2HD1      LEU  28  -7.672   7.880  14.608
  236   2HD1  LEU  28          1HD1      LEU  28  -8.558   6.463  15.169
  237   3HD1  LEU  28          3HD1      LEU  28  -6.855   6.323  14.735
  238   1HD2  LEU  28          3HD2      LEU  28  -9.449   8.190  12.782
  239   2HD2  LEU  28          2HD2      LEU  28  -9.819   6.825  11.728
  240   3HD2  LEU  28          1HD2      LEU  28 -10.271   6.772  13.431
  241    H    THR  29           HN       THR  29  -5.165   5.743   9.846
  242    HA   THR  29           HA       THR  29  -3.800   8.015   8.994
  243    HB   THR  29           HB       THR  29  -3.489   5.104   8.713
  244    HG1  THR  29           HG1      THR  29  -2.122   7.283   9.724
  245   1HG2  THR  29          1HG2      THR  29  -2.184   6.960   6.729
  246   2HG2  THR  29          3HG2      THR  29  -1.580   5.348   7.108
  247   3HG2  THR  29          2HG2      THR  29  -3.187   5.540   6.401
  248    H    ALA  30           HN       ALA  30  -5.874   5.803   7.150
  249    HA   ALA  30           HA       ALA  30  -5.415   7.021   4.635
  250   1HB   ALA  30           HB1      ALA  30  -7.866   5.522   5.570
  251   2HB   ALA  30           HB3      ALA  30  -7.429   5.863   3.896
  252   3HB   ALA  30           HB2      ALA  30  -6.422   4.791   4.869
  253    H    LYS  31           HN       LYS  31  -7.703   7.576   7.224
  254    HA   LYS  31           HA       LYS  31  -9.302   9.520   5.928
  255   1HB   LYS  31           HB2      LYS  31  -9.902   8.231   7.998
  256   2HB   LYS  31           HB1      LYS  31  -8.744   9.233   8.875
  257   1HG   LYS  31           HG2      LYS  31 -10.039  11.214   8.399
  258   2HG   LYS  31           HG1      LYS  31 -11.158  10.279   7.403
  259   1HD   LYS  31           HD2      LYS  31 -11.760   8.946   9.393
  260   2HD   LYS  31           HD1      LYS  31 -10.700   9.965  10.368
  261   1HE   LYS  31           HE2      LYS  31 -12.038  11.920   9.808
  262   2HE   LYS  31           HE1      LYS  31 -13.081  10.930   8.789
  263   1HZ   LYS  31           HZ2      LYS  31 -12.730  10.628  11.725
  264   2HZ   LYS  31           HZ1      LYS  31 -14.071  11.323  10.950
  265   3HZ   LYS  31           HZ3      LYS  31 -13.735   9.673  10.747
  266    H    GLN  32           HN       GLN  32  -6.427   9.720   7.979
  267    HA   GLN  32           HA       GLN  32  -6.441  12.537   8.238
  268   1HB   GLN  32           HB2      GLN  32  -4.101  10.632   8.411
  269   2HB   GLN  32           HB1      GLN  32  -4.094  12.306   8.945
  270   1HG   GLN  32           HG2      GLN  32  -5.687  10.034  10.093
  271   2HG   GLN  32           HG1      GLN  32  -4.355  10.905  10.853
  272   1HE2  GLN  32          1HE2      GLN  32  -7.700  11.000   9.943
  273   2HE2  GLN  32          2HE2      GLN  32  -8.133  12.376  10.895
  274    H    LEU  33           HN       LEU  33  -5.170  10.354   5.813
  275    HA   LEU  33           HA       LEU  33  -3.524  12.302   4.570
  276   1HB   LEU  33           HB2      LEU  33  -4.742   9.888   3.234
  277   2HB   LEU  33           HB1      LEU  33  -3.340  10.794   2.704
  278    HG   LEU  33           HG       LEU  33  -3.581   8.773   4.882
  279   1HD1  LEU  33          1HD1      LEU  33  -2.740   8.099   2.707
  280   2HD1  LEU  33          3HD1      LEU  33  -1.487   9.336   2.792
  281   3HD1  LEU  33          2HD1      LEU  33  -1.472   7.988   3.928
  282   1HD2  LEU  33          3HD2      LEU  33  -1.549  10.997   4.849
  283   2HD2  LEU  33          2HD2      LEU  33  -2.739  10.648   6.108
  284   3HD2  LEU  33          1HD2      LEU  33  -1.412   9.522   5.810
  285    H    GLU  34           HN       GLU  34  -6.879  11.246   3.975
  286    HA   GLU  34           HA       GLU  34  -7.111  12.946   1.697
  287   1HB   GLU  34           HB2      GLU  34  -9.604  12.606   2.027
  288   2HB   GLU  34           HB1      GLU  34  -8.634  11.178   1.718
  289   1HG   GLU  34           HG2      GLU  34  -8.633  10.717   4.152
  290   2HG   GLU  34           HG1      GLU  34  -9.725  12.086   4.367
  291    H    ALA  35           HN       ALA  35  -7.758  13.298   5.096
  292    HA   ALA  35           HA       ALA  35  -8.995  15.820   4.959
  293   1HB   ALA  35           HB3      ALA  35  -8.496  16.011   7.333
  294   2HB   ALA  35           HB2      ALA  35  -9.090  14.396   6.949
  295   3HB   ALA  35           HB1      ALA  35  -7.368  14.660   7.217
  296    H    GLU  36           HN       GLU  36  -5.602  14.854   5.207
  297    HA   GLU  36           HA       GLU  36  -4.772  17.628   5.537
  298   1HB   GLU  36           HB2      GLU  36  -3.343  14.998   5.788
  299   2HB   GLU  36           HB1      GLU  36  -2.478  16.530   5.798
  300   1HG   GLU  36           HG2      GLU  36  -4.700  15.833   7.702
  301   2HG   GLU  36           HG1      GLU  36  -2.985  15.615   8.052
  302    H    THR  37           HN       THR  37  -4.546  15.074   3.113
  303    HA   THR  37           HA       THR  37  -2.649  16.629   1.564
  304    HB   THR  37           HB       THR  37  -2.598  14.796  -0.033
  305    HG1  THR  37           HG1      THR  37  -4.600  13.485   1.503
  306   1HG2  THR  37          1HG2      THR  37  -2.666  13.740   2.800
  307   2HG2  THR  37          3HG2      THR  37  -1.904  12.949   1.421
  308   3HG2  THR  37          2HG2      THR  37  -1.281  14.493   2.005
  309    H    GLY  38           HN       GLY  38  -6.006  16.367   1.880
  310   1HA   GLY  38           HA1      GLY  38  -6.609  18.011  -0.381
  311   2HA   GLY  38           HA2      GLY  38  -7.778  17.198   0.663
  312    H    CYS  39           HN       CYS  39  -5.885  14.813  -0.021
  313    HA   CYS  39           HA       CYS  39  -7.312  14.025  -2.454
  314   1HB   CYS  39           HB2      CYS  39  -5.015  14.186  -3.005
  315   2HB   CYS  39           HB1      CYS  39  -4.526  13.365  -1.517
  316    HG   CYS  39           HG       CYS  39  -4.628  10.968  -2.407
  317    H    LYS  40           HN       LYS  40  -8.575  12.343  -2.322
  318    HA   LYS  40           HA       LYS  40  -8.828  11.167   0.328
  319   1HB   LYS  40           HB2      LYS  40 -10.772  12.136  -1.045
  320   2HB   LYS  40           HB1      LYS  40 -10.605  10.725  -2.079
  321   1HG   LYS  40           HG2      LYS  40 -11.183  10.586   0.878
  322   2HG   LYS  40           HG1      LYS  40 -12.419  10.568  -0.378
  323   1HD   LYS  40           HD2      LYS  40 -11.225   8.550  -1.336
  324   2HD   LYS  40           HD1      LYS  40 -10.284   8.514   0.156
  325   1HE   LYS  40           HE2      LYS  40 -13.278   8.261  -0.103
  326   2HE   LYS  40           HE1      LYS  40 -12.146   6.979   0.316
  327   1HZ   LYS  40           HZ3      LYS  40 -11.555   8.389   2.307
  328   2HZ   LYS  40           HZ2      LYS  40 -12.910   9.333   1.940
  329   3HZ   LYS  40           HZ1      LYS  40 -13.106   7.696   2.320
  330    H    ILE  41           HN       ILE  41  -7.064   9.836   0.362
  331    HA   ILE  41           HA       ILE  41  -6.583   8.001  -1.771
  332    HB   ILE  41           HB       ILE  41  -4.707   8.783  -0.477
  333   1HG1  ILE  41          2HG1      ILE  41  -5.206   5.845   0.087
  334   2HG1  ILE  41          1HG1      ILE  41  -4.571   6.508  -1.416
  335   1HG2  ILE  41          1HG2      ILE  41  -5.825   9.184   1.659
  336   2HG2  ILE  41          3HG2      ILE  41  -5.981   7.445   1.920
  337   3HG2  ILE  41          2HG2      ILE  41  -4.385   8.193   1.889
  338   1HD1  ILE  41          3HD1      ILE  41  -2.606   7.330  -0.212
  339   2HD1  ILE  41          2HD1      ILE  41  -3.240   6.637   1.281
  340   3HD1  ILE  41          1HD1      ILE  41  -2.793   5.583  -0.061
  341    H    MET  42           HN       MET  42  -7.878   6.412  -2.148
  342    HA   MET  42           HA       MET  42  -9.308   5.133   0.065
  343   1HB   MET  42           HB2      MET  42 -11.026   4.510  -1.578
  344   2HB   MET  42           HB1      MET  42 -10.814   6.253  -1.507
  345   1HG   MET  42           HG2      MET  42  -9.621   6.275  -3.562
  346   2HG   MET  42           HG1      MET  42  -9.510   4.517  -3.588
  347   1HE   MET  42           HE1      MET  42 -12.612   6.778  -2.655
  348   2HE   MET  42           HE3      MET  42 -11.847   7.641  -3.989
  349   3HE   MET  42           HE2      MET  42 -13.428   6.891  -4.215
  350    H    VAL  43           HN       VAL  43  -9.055   2.988   0.339
  351    HA   VAL  43           HA       VAL  43  -7.060   1.708  -1.300
  352    HB   VAL  43           HB       VAL  43  -8.602   0.273   0.823
  353   1HG1  VAL  43          3HG1      VAL  43  -5.746   0.193  -0.122
  354   2HG1  VAL  43          2HG1      VAL  43  -6.435  -0.841   1.133
  355   3HG1  VAL  43          1HG1      VAL  43  -7.012  -0.964  -0.531
  356   1HG2  VAL  43          1HG2      VAL  43  -6.376   2.258   1.309
  357   2HG2  VAL  43          3HG2      VAL  43  -8.027   2.348   1.922
  358   3HG2  VAL  43          2HG2      VAL  43  -6.944   1.082   2.492
  359    H    ARG  44           HN       ARG  44  -7.596   0.758  -3.103
  360    HA   ARG  44           HA       ARG  44 -10.381  -0.045  -3.516
  361   1HB   ARG  44           HB2      ARG  44  -8.182   0.415  -5.533
  362   2HB   ARG  44           HB1      ARG  44  -9.851   0.005  -5.909
  363   1HG   ARG  44           HG2      ARG  44 -10.471   2.140  -4.656
  364   2HG   ARG  44           HG1      ARG  44  -8.756   2.535  -4.763
  365   1HD   ARG  44           HD2      ARG  44  -8.860   2.975  -6.960
  366   2HD   ARG  44           HD1      ARG  44  -9.996   1.671  -7.284
  367    HE   ARG  44           HE       ARG  44 -10.933   4.122  -5.955
  368   1HH1  ARG  44          1HH1      ARG  44 -11.070   1.871  -8.643
  369   2HH1  ARG  44          2HH1      ARG  44 -12.367   2.720  -9.449
  370   1HH2  ARG  44          1HH2      ARG  44 -12.638   5.230  -7.002
  371   2HH2  ARG  44          2HH2      ARG  44 -13.274   4.620  -8.503
  372    H    GLY  45           HN       GLY  45 -10.622  -1.984  -4.991
  373   1HA   GLY  45           HA1      GLY  45  -8.602  -4.002  -4.353
  374   2HA   GLY  45           HA2      GLY  45  -9.908  -4.172  -5.523
  375    H    LYS  46           HN       LYS  46  -9.443  -6.127  -3.719
  376    HA   LYS  46           HA       LYS  46 -12.017  -6.282  -2.476
  377   1HB   LYS  46           HB2      LYS  46  -9.714  -8.226  -2.520
  378   2HB   LYS  46           HB1      LYS  46 -11.346  -8.584  -1.960
  379   1HG   LYS  46           HG2      LYS  46 -12.227  -8.545  -4.080
  380   2HG   LYS  46           HG1      LYS  46 -10.934  -7.513  -4.702
  381   1HD   LYS  46           HD2      LYS  46 -10.423 -10.320  -3.770
  382   2HD   LYS  46           HD1      LYS  46 -10.908  -9.956  -5.430
  383   1HE   LYS  46           HE2      LYS  46  -8.681  -8.414  -4.216
  384   2HE   LYS  46           HE1      LYS  46  -8.361 -10.073  -4.735
  385   1HZ   LYS  46           HZ3      LYS  46  -9.459  -7.907  -6.456
  386   2HZ   LYS  46           HZ2      LYS  46  -7.856  -8.461  -6.485
  387   3HZ   LYS  46           HZ1      LYS  46  -9.123  -9.491  -6.957
  388    H    GLY  47           HN       GLY  47 -12.305  -5.224  -0.562
  389   1HA   GLY  47           HA1      GLY  47 -10.336  -5.962   1.514
  390   2HA   GLY  47           HA2      GLY  47 -12.066  -6.055   1.803
  391    H    SER  48           HN       SER  48 -12.235  -3.466   0.152
  392    HA   SER  48           HA       SER  48 -10.805  -1.479   1.547
  393   1HB   SER  48           HB2      SER  48 -11.726  -1.167  -0.702
  394   2HB   SER  48           HB1      SER  48 -13.362  -1.292  -0.064
  395    HG   SER  48           HG       SER  48 -11.560   0.657   0.894
  396    H    MET  49           HN       MET  49 -14.312  -2.171   1.659
  397    HA   MET  49           HA       MET  49 -14.349  -1.201   4.422
  398   1HB   MET  49           HB2      MET  49 -16.097  -0.388   2.144
  399   2HB   MET  49           HB1      MET  49 -16.743  -0.378   3.780
  400   1HG   MET  49           HG2      MET  49 -14.269   1.091   2.890
  401   2HG   MET  49           HG1      MET  49 -15.869   1.812   3.066
  402   1HE   MET  49           HE3      MET  49 -13.219   2.925   4.482
  403   2HE   MET  49           HE2      MET  49 -14.804   3.676   4.660
  404   3HE   MET  49           HE1      MET  49 -13.842   3.300   6.088
  405    H    ARG  50           HN       ARG  50 -14.148  -3.880   3.772
  406    HA   ARG  50           HA       ARG  50 -16.472  -5.331   3.261
  407   1HB   ARG  50           HB2      ARG  50 -13.906  -6.081   4.635
  408   2HB   ARG  50           HB1      ARG  50 -15.174  -7.252   4.296
  409   1HG   ARG  50           HG2      ARG  50 -14.099  -5.539   2.103
  410   2HG   ARG  50           HG1      ARG  50 -13.206  -6.961   2.640
  411   1HD   ARG  50           HD2      ARG  50 -16.112  -7.153   1.942
  412   2HD   ARG  50           HD1      ARG  50 -14.885  -7.187   0.681
  413    HE   ARG  50           HE       ARG  50 -13.928  -9.140   1.896
  414   1HH1  ARG  50          1HH1      ARG  50 -17.311  -8.322   2.416
  415   2HH1  ARG  50          2HH1      ARG  50 -17.777  -9.974   2.678
  416   1HH2  ARG  50          1HH2      ARG  50 -14.552 -11.283   2.271
  417   2HH2  ARG  50          2HH2      ARG  50 -16.215 -11.656   2.610
  418    H    ASP  51           HN       ASP  51 -16.904  -3.426   5.518
  419    HA   ASP  51           HA       ASP  51 -17.454  -4.895   7.897
  420   1HB   ASP  51           HB2      ASP  51 -17.193  -2.415   7.777
  421   2HB   ASP  51           HB1      ASP  51 -18.681  -2.326   6.849
  422    H    LYS  52           HN       LYS  52 -19.292  -6.013   8.435
  423    HA   LYS  52           HA       LYS  52 -20.658  -7.299   6.397
  424   1HB   LYS  52           HB2      LYS  52 -21.493  -6.986   9.278
  425   2HB   LYS  52           HB1      LYS  52 -22.142  -8.174   8.157
  426   1HG   LYS  52           HG2      LYS  52 -19.913  -9.181   7.956
  427   2HG   LYS  52           HG1      LYS  52 -19.295  -8.007   9.122
  428   1HD   LYS  52           HD2      LYS  52 -20.829  -8.856  10.812
  429   2HD   LYS  52           HD1      LYS  52 -21.502  -9.997   9.648
  430   1HE   LYS  52           HE2      LYS  52 -19.279 -11.051   9.446
  431   2HE   LYS  52           HE1      LYS  52 -18.671  -9.950  10.683
  432   1HZ   LYS  52           HZ3      LYS  52 -20.903 -11.871  11.082
  433   2HZ   LYS  52           HZ2      LYS  52 -19.300 -12.146  11.567
  434   3HZ   LYS  52           HZ1      LYS  52 -20.194 -10.887  12.268
  435    H    LYS  53           HN       LYS  53 -21.751  -4.582   8.400
  436    HA   LYS  53           HA       LYS  53 -24.375  -4.617   7.293
  437   1HB   LYS  53           HB2      LYS  53 -24.708  -2.479   8.458
  438   2HB   LYS  53           HB1      LYS  53 -24.031  -3.710   9.516
  439   1HG   LYS  53           HG2      LYS  53 -21.825  -2.719   9.281
  440   2HG   LYS  53           HG1      LYS  53 -22.481  -1.501   8.187
  441   1HD   LYS  53           HD2      LYS  53 -23.819  -0.561   9.919
  442   2HD   LYS  53           HD1      LYS  53 -23.439  -1.893  11.012
  443   1HE   LYS  53           HE2      LYS  53 -21.425   0.064   9.917
  444   2HE   LYS  53           HE1      LYS  53 -22.176   0.180  11.507
  445   1HZ   LYS  53           HZ2      LYS  53 -21.245  -2.068  11.970
  446   2HZ   LYS  53           HZ1      LYS  53 -20.367  -1.962  10.527
  447   3HZ   LYS  53           HZ3      LYS  53 -20.079  -0.854  11.780
  448    H    LYS  54           HN       LYS  54 -21.381  -3.049   6.497
  449    HA   LYS  54           HA       LYS  54 -22.392  -0.962   4.900
  450   1HB   LYS  54           HB2      LYS  54 -20.014  -1.319   5.788
  451   2HB   LYS  54           HB1      LYS  54 -19.785  -2.367   4.408
  452   1HG   LYS  54           HG2      LYS  54 -19.625  -0.660   2.967
  453   2HG   LYS  54           HG1      LYS  54 -20.877   0.284   3.784
  454   1HD   LYS  54           HD2      LYS  54 -18.159  -0.131   4.981
  455   2HD   LYS  54           HD1      LYS  54 -18.493   1.196   3.862
  456   1HE   LYS  54           HE2      LYS  54 -20.200   2.055   5.340
  457   2HE   LYS  54           HE1      LYS  54 -20.007   0.673   6.420
  458   1HZ   LYS  54           HZ3      LYS  54 -17.829   2.604   5.823
  459   2HZ   LYS  54           HZ2      LYS  54 -18.874   2.753   7.150
  460   3HZ   LYS  54           HZ1      LYS  54 -17.848   1.406   7.028
  461    H    GLU  55           HN       GLU  55 -21.111  -4.126   4.031
  462    HA   GLU  55           HA       GLU  55 -21.843  -3.933   1.309
  463   1HB   GLU  55           HB2      GLU  55 -21.631  -6.551   1.482
  464   2HB   GLU  55           HB1      GLU  55 -20.214  -5.517   1.549
  465   1HG   GLU  55           HG2      GLU  55 -20.380  -5.635   4.048
  466   2HG   GLU  55           HG1      GLU  55 -21.623  -6.859   3.823
  467    H    GLU  56           HN       GLU  56 -23.672  -4.786   4.100
  468    HA   GLU  56           HA       GLU  56 -25.824  -5.968   2.634
  469   1HB   GLU  56           HB2      GLU  56 -25.582  -4.874   5.420
  470   2HB   GLU  56           HB1      GLU  56 -27.135  -5.386   4.772
  471   1HG   GLU  56           HG2      GLU  56 -24.679  -7.102   5.034
  472   2HG   GLU  56           HG1      GLU  56 -26.098  -7.147   6.081
  473    H    GLN  57           HN       GLN  57 -25.536  -2.740   4.201
  474    HA   GLN  57           HA       GLN  57 -27.871  -1.979   2.616
  475   1HB   GLN  57           HB2      GLN  57 -28.127  -0.142   4.376
  476   2HB   GLN  57           HB1      GLN  57 -28.504  -1.796   4.798
  477   1HG   GLN  57           HG2      GLN  57 -27.401  -0.913   6.656
  478   2HG   GLN  57           HG1      GLN  57 -26.231  -1.948   5.846
  479   1HE2  GLN  57          1HE2      GLN  57 -24.342  -1.100   5.165
  480   2HE2  GLN  57          2HE2      GLN  57 -23.917   0.578   5.317
  481    H    ASN  58           HN       ASN  58 -24.566  -1.198   2.946
  482    HA   ASN  58           HA       ASN  58 -24.997   1.193   1.266
  483   1HB   ASN  58           HB2      ASN  58 -22.639   0.474   3.018
  484   2HB   ASN  58           HB1      ASN  58 -22.616   1.791   1.851
  485   1HD2  ASN  58          1HD2      ASN  58 -25.460   2.413   2.391
  486   2HD2  ASN  58          2HD2      ASN  58 -25.467   3.240   3.911
  487    H    ARG  59           HN       ARG  59 -24.694  -1.835   0.855
  488    HA   ARG  59           HA       ARG  59 -22.695  -2.569  -0.796
  489   1HB   ARG  59           HB2      ARG  59 -24.322  -3.950  -2.007
  490   2HB   ARG  59           HB1      ARG  59 -24.597  -4.001  -0.272
  491   1HG   ARG  59           HG2      ARG  59 -26.425  -2.383  -0.528
  492   2HG   ARG  59           HG1      ARG  59 -26.162  -2.383  -2.274
  493   1HD   ARG  59           HD2      ARG  59 -26.613  -4.810  -2.300
  494   2HD   ARG  59           HD1      ARG  59 -26.962  -4.742  -0.574
  495    HE   ARG  59           HE       ARG  59 -28.538  -2.972  -2.261
  496   1HH1  ARG  59          1HH1      ARG  59 -28.307  -6.059  -0.623
  497   2HH1  ARG  59          2HH1      ARG  59 -30.023  -6.341  -0.632
  498   1HH2  ARG  59          1HH2      ARG  59 -30.799  -3.350  -2.302
  499   2HH2  ARG  59          2HH2      ARG  59 -31.437  -4.815  -1.619
  500    H    GLY  60           HN       GLY  60 -22.161  -2.379  -2.965
  501   1HA   GLY  60           HA1      GLY  60 -23.743  -0.664  -4.704
  502   2HA   GLY  60           HA2      GLY  60 -22.328  -1.604  -5.165
  503    H    LYS  61           HN       LYS  61 -22.063   0.404  -2.368
  504    HA   LYS  61           HA       LYS  61 -21.279   2.794  -3.694
  505   1HB   LYS  61           HB2      LYS  61 -21.146   1.811  -0.879
  506   2HB   LYS  61           HB1      LYS  61 -20.186   3.216  -1.328
  507   1HG   LYS  61           HG2      LYS  61 -22.258   3.983  -0.432
  508   2HG   LYS  61           HG1      LYS  61 -22.266   4.294  -2.167
  509   1HD   LYS  61           HD2      LYS  61 -23.548   2.143  -2.431
  510   2HD   LYS  61           HD1      LYS  61 -23.701   2.108  -0.674
  511   1HE   LYS  61           HE2      LYS  61 -25.689   3.084  -1.509
  512   2HE   LYS  61           HE1      LYS  61 -24.727   4.399  -0.833
  513   1HZ   LYS  61           HZ1      LYS  61 -23.975   4.942  -3.073
  514   2HZ   LYS  61           HZ3      LYS  61 -24.918   3.684  -3.709
  515   3HZ   LYS  61           HZ2      LYS  61 -25.666   5.013  -2.964
  516    HA   PRO  62           HA       PRO  62 -17.066   2.994  -4.967
  517   1HB   PRO  62           HB2      PRO  62 -16.656   4.009  -2.167
  518   2HB   PRO  62           HB1      PRO  62 -15.833   4.506  -3.648
  519   1HG   PRO  62           HG2      PRO  62 -17.948   5.860  -2.715
  520   2HG   PRO  62           HG1      PRO  62 -17.694   5.641  -4.455
  521   1HD   PRO  62           HD2      PRO  62 -19.781   4.515  -2.753
  522   2HD   PRO  62           HD1      PRO  62 -19.658   4.500  -4.526
  523    H    ASN  63           HN       ASN  63 -17.454   1.690  -1.708
  524    HA   ASN  63           HA       ASN  63 -14.879   0.451  -1.575
  525   1HB   ASN  63           HB2      ASN  63 -17.026  -0.716   0.055
  526   2HB   ASN  63           HB1      ASN  63 -15.487  -0.003   0.538
  527   1HD2  ASN  63          1HD2      ASN  63 -18.836   0.608  -0.116
  528   2HD2  ASN  63          2HD2      ASN  63 -18.893   2.196   0.574
  529    H    TRP  64           HN       TRP  64 -18.067  -0.540  -2.508
  530    HA   TRP  64           HA       TRP  64 -17.219  -3.246  -3.113
  531   1HB   TRP  64           HB2      TRP  64 -19.915  -2.044  -3.654
  532   2HB   TRP  64           HB1      TRP  64 -19.509  -3.734  -3.325
  533    HD1  TRP  64           HD1      TRP  64 -20.945  -0.858  -1.615
  534    HE1  TRP  64           HE1      TRP  64 -20.777  -1.084   0.935
  535    HE3  TRP  64           HE3      TRP  64 -17.611  -4.706  -1.386
  536    HZ2  TRP  64           HZ2      TRP  64 -19.392  -2.691   2.803
  537    HZ3  TRP  64           HZ3      TRP  64 -16.907  -5.531   0.817
  538    HH2  TRP  64           HH2      TRP  64 -17.780  -4.541   2.869
  539    H    GLU  65           HN       GLU  65 -17.846  -0.199  -4.499
  540    HA   GLU  65           HA       GLU  65 -18.135  -0.829  -7.190
  541   1HB   GLU  65           HB2      GLU  65 -18.583   1.373  -6.434
  542   2HB   GLU  65           HB1      GLU  65 -16.956   1.548  -5.791
  543   1HG   GLU  65           HG2      GLU  65 -16.019   1.659  -7.966
  544   2HG   GLU  65           HG1      GLU  65 -17.553   1.198  -8.712
  545    H    HIS  66           HN       HIS  66 -15.218  -0.040  -5.339
  546    HA   HIS  66           HA       HIS  66 -13.600  -1.044  -7.543
  547   1HB   HIS  66           HB2      HIS  66 -11.651  -0.192  -6.246
  548   2HB   HIS  66           HB1      HIS  66 -12.813   1.045  -6.694
  549    HD1  HIS  66           HD1      HIS  66 -12.734   2.722  -4.893
  550    HD2  HIS  66           HD2      HIS  66 -12.725  -1.147  -3.401
  551    HE1  HIS  66           HE1      HIS  66 -12.719   2.973  -2.394
  552    HE2  HIS  66           HE2      HIS  66 -12.490   0.628  -1.516
  553    H    LEU  67           HN       LEU  67 -15.150  -2.364  -5.031
  554    HA   LEU  67           HA       LEU  67 -13.314  -4.167  -3.887
  555   1HB   LEU  67           HB2      LEU  67 -15.837  -3.630  -3.361
  556   2HB   LEU  67           HB1      LEU  67 -16.154  -4.924  -4.490
  557    HG   LEU  67           HG       LEU  67 -16.262  -5.650  -2.143
  558   1HD1  LEU  67          3HD1      LEU  67 -13.990  -6.884  -3.684
  559   2HD1  LEU  67          2HD1      LEU  67 -14.811  -7.615  -2.304
  560   3HD1  LEU  67          1HD1      LEU  67 -15.697  -7.311  -3.798
  561   1HD2  LEU  67          2HD2      LEU  67 -14.636  -4.125  -1.200
  562   2HD2  LEU  67          1HD2      LEU  67 -14.228  -5.795  -0.804
  563   3HD2  LEU  67          3HD2      LEU  67 -13.337  -4.945  -2.067
  564    H    ASN  68           HN       ASN  68 -14.928  -4.007  -6.906
  565    HA   ASN  68           HA       ASN  68 -14.274  -6.750  -7.619
  566   1HB   ASN  68           HB2      ASN  68 -15.262  -5.903  -9.910
  567   2HB   ASN  68           HB1      ASN  68 -16.321  -6.299  -8.558
  568   1HD2  ASN  68          1HD2      ASN  68 -17.388  -4.680  -7.489
  569   2HD2  ASN  68          2HD2      ASN  68 -17.487  -3.052  -8.062
  570    H    GLU  69           HN       GLU  69 -12.495  -4.141  -7.352
  571    HA   GLU  69           HA       GLU  69 -10.823  -4.637  -9.705
  572   1HB   GLU  69           HB2      GLU  69 -10.534  -2.649  -7.444
  573   2HB   GLU  69           HB1      GLU  69  -9.427  -2.788  -8.800
  574   1HG   GLU  69           HG2      GLU  69 -11.510  -2.338 -10.255
  575   2HG   GLU  69           HG1      GLU  69 -12.229  -1.753  -8.752
  576    H    ASP  70           HN       ASP  70  -8.329  -4.518  -8.963
  577    HA   ASP  70           HA       ASP  70  -8.028  -6.572  -6.906
  578   1HB   ASP  70           HB2      ASP  70  -6.905  -6.824  -9.193
  579   2HB   ASP  70           HB1      ASP  70  -5.793  -5.563  -8.656
  580    H    LEU  71           HN       LEU  71  -6.598  -6.303  -5.168
  581    HA   LEU  71           HA       LEU  71  -7.130  -3.953  -3.785
  582   1HB   LEU  71           HB2      LEU  71  -6.620  -6.161  -2.801
  583   2HB   LEU  71           HB1      LEU  71  -4.937  -5.952  -3.240
  584    HG   LEU  71           HG       LEU  71  -4.682  -4.127  -1.707
  585   1HD1  LEU  71          2HD1      LEU  71  -7.664  -4.370  -1.366
  586   2HD1  LEU  71          1HD1      LEU  71  -6.621  -3.430  -0.289
  587   3HD1  LEU  71          3HD1      LEU  71  -6.749  -2.994  -1.996
  588   1HD2  LEU  71          2HD2      LEU  71  -6.220  -6.389  -0.435
  589   2HD2  LEU  71          1HD2      LEU  71  -4.484  -6.350  -0.741
  590   3HD2  LEU  71          3HD2      LEU  71  -5.201  -5.235   0.425
  591    H    HIS  72           HN       HIS  72  -6.394  -1.995  -4.222
  592    HA   HIS  72           HA       HIS  72  -3.525  -1.579  -4.255
  593   1HB   HIS  72           HB2      HIS  72  -3.556  -0.128  -6.232
  594   2HB   HIS  72           HB1      HIS  72  -4.043  -1.771  -6.636
  595    HD1  HIS  72           HD1      HIS  72  -6.473  -2.142  -7.387
  596    HD2  HIS  72           HD2      HIS  72  -5.536   1.816  -6.551
  597    HE1  HIS  72           HE1      HIS  72  -8.292  -0.778  -8.448
  598    HE2  HIS  72           HE2      HIS  72  -7.537   1.597  -8.188
  599    H    VAL  73           HN       VAL  73  -2.908   0.526  -3.612
  600    HA   VAL  73           HA       VAL  73  -5.041   1.969  -2.223
  601    HB   VAL  73           HB       VAL  73  -3.144   3.319  -1.252
  602   1HG1  VAL  73          2HG1      VAL  73  -3.092   0.338  -0.800
  603   2HG1  VAL  73          1HG1      VAL  73  -2.436   1.552   0.298
  604   3HG1  VAL  73          3HG1      VAL  73  -4.172   1.495  -0.020
  605   1HG2  VAL  73          2HG2      VAL  73  -1.479   2.886  -2.998
  606   2HG2  VAL  73          1HG2      VAL  73  -0.883   2.425  -1.404
  607   3HG2  VAL  73          3HG2      VAL  73  -1.436   1.187  -2.532
  608    H    LEU  74           HN       LEU  74  -5.932   3.720  -3.072
  609    HA   LEU  74           HA       LEU  74  -4.514   5.028  -5.299
  610   1HB   LEU  74           HB2      LEU  74  -6.273   4.062  -6.404
  611   2HB   LEU  74           HB1      LEU  74  -7.336   4.124  -5.012
  612    HG   LEU  74           HG       LEU  74  -7.616   6.556  -5.370
  613   1HD1  LEU  74          2HD1      LEU  74  -5.476   6.971  -6.426
  614   2HD1  LEU  74          1HD1      LEU  74  -6.058   6.155  -7.879
  615   3HD1  LEU  74          3HD1      LEU  74  -6.838   7.640  -7.323
  616   1HD2  LEU  74          2HD2      LEU  74  -8.236   4.858  -7.762
  617   2HD2  LEU  74          1HD2      LEU  74  -9.240   5.051  -6.325
  618   3HD2  LEU  74          3HD2      LEU  74  -8.966   6.422  -7.401
  619    H    ILE  75           HN       ILE  75  -3.884   6.944  -4.827
  620    HA   ILE  75           HA       ILE  75  -5.319   8.628  -2.964
  621    HB   ILE  75           HB       ILE  75  -3.617  10.348  -3.994
  622   1HG1  ILE  75          2HG1      ILE  75  -2.317   7.707  -4.668
  623   2HG1  ILE  75          1HG1      ILE  75  -2.953   8.855  -5.843
  624   1HG2  ILE  75          1HG2      ILE  75  -3.579   9.588  -1.703
  625   2HG2  ILE  75          3HG2      ILE  75  -2.766   8.100  -2.188
  626   3HG2  ILE  75          2HG2      ILE  75  -1.945   9.653  -2.362
  627   1HD1  ILE  75          2HD1      ILE  75  -1.361  10.535  -4.898
  628   2HD1  ILE  75          1HD1      ILE  75  -0.622   9.207  -4.002
  629   3HD1  ILE  75          3HD1      ILE  75  -0.631   9.177  -5.767
  630    H    THR  76           HN       THR  76  -7.180   9.446  -3.620
  631    HA   THR  76           HA       THR  76  -7.411  10.243  -6.431
  632    HB   THR  76           HB       THR  76  -9.915  10.276  -4.952
  633    HG1  THR  76           HG1      THR  76  -8.992   8.587  -3.744
  634   1HG2  THR  76          2HG2      THR  76  -8.957   8.660  -7.304
  635   2HG2  THR  76          1HG2      THR  76 -10.635   8.829  -6.782
  636   3HG2  THR  76          3HG2      THR  76  -9.750  10.234  -7.377
  637    H    VAL  77           HN       VAL  77  -7.431  12.276  -6.900
  638    HA   VAL  77           HA       VAL  77  -7.840  14.195  -4.695
  639    HB   VAL  77           HB       VAL  77  -6.360  15.277  -6.908
  640   1HG1  VAL  77          1HG1      VAL  77  -5.687  14.850  -4.024
  641   2HG1  VAL  77          3HG1      VAL  77  -4.788  15.866  -5.149
  642   3HG1  VAL  77          2HG1      VAL  77  -6.452  16.273  -4.728
  643   1HG2  VAL  77          3HG2      VAL  77  -5.658  13.003  -7.311
  644   2HG2  VAL  77          2HG2      VAL  77  -4.322  13.970  -6.679
  645   3HG2  VAL  77          1HG2      VAL  77  -5.173  12.841  -5.623
  646    H    GLU  78           HN       GLU  78  -9.435  15.575  -4.906
  647    HA   GLU  78           HA       GLU  78 -10.280  16.342  -7.611
  648   1HB   GLU  78           HB2      GLU  78 -11.694  16.596  -4.950
  649   2HB   GLU  78           HB1      GLU  78 -12.273  17.347  -6.431
  650   1HG   GLU  78           HG2      GLU  78 -12.484  15.153  -7.467
  651   2HG   GLU  78           HG1      GLU  78 -11.897  14.396  -5.988
  652    H    ASP  79           HN       ASP  79  -8.690  17.793  -8.065
  653    HA   ASP  79           HA       ASP  79  -8.886  20.418  -6.944
  654   1HB   ASP  79           HB2      ASP  79  -7.504  19.304  -5.196
  655   2HB   ASP  79           HB1      ASP  79  -6.336  18.847  -6.430
  656    H    ALA  80           HN       ALA  80  -6.961  21.782  -7.963
  657    HA   ALA  80           HA       ALA  80  -6.921  21.514 -10.736
  658   1HB   ALA  80           HB1      ALA  80  -6.308  23.587  -9.589
  659   2HB   ALA  80           HB2      ALA  80  -5.036  23.078 -10.700
  660   3HB   ALA  80           HB3      ALA  80  -4.849  22.817  -8.966
  661    H    GLN  81           HN       GLN  81  -4.240  20.855  -8.481
  662    HA   GLN  81           HA       GLN  81  -3.731  18.254  -9.101
  663   1HB   GLN  81           HB2      GLN  81  -3.316  18.822 -11.418
  664   2HB   GLN  81           HB1      GLN  81  -2.152  20.057 -10.948
  665   1HG   GLN  81           HG2      GLN  81  -0.713  18.323  -9.996
  666   2HG   GLN  81           HG1      GLN  81  -1.870  17.095 -10.499
  667   1HE2  GLN  81          1HE2      GLN  81  -0.219  16.105 -11.691
  668   2HE2  GLN  81          2HE2      GLN  81   0.278  16.726 -13.228
  669    H    ASN  82           HN       ASN  82  -1.512  21.051  -9.163
  670    HA   ASN  82           HA       ASN  82   0.620  19.579  -8.207
  671   1HB   ASN  82           HB2      ASN  82   0.185  22.559  -8.130
  672   2HB   ASN  82           HB1      ASN  82   1.733  21.769  -7.852
  673   1HD2  ASN  82          1HD2      ASN  82   1.284  19.704  -9.860
  674   2HD2  ASN  82          2HD2      ASN  82   1.466  20.493 -11.397
  675    H    ARG  83           HN       ARG  83  -1.060  22.080  -6.297
  676    HA   ARG  83           HA       ARG  83   0.337  21.789  -3.958
  677   1HB   ARG  83           HB2      ARG  83  -2.604  22.454  -4.177
  678   2HB   ARG  83           HB1      ARG  83  -1.538  22.859  -2.839
  679   1HG   ARG  83           HG2      ARG  83  -1.294  23.903  -5.652
  680   2HG   ARG  83           HG1      ARG  83  -1.956  24.782  -4.274
  681   1HD   ARG  83           HD2      ARG  83   0.858  23.717  -4.446
  682   2HD   ARG  83           HD1      ARG  83   0.391  25.382  -4.790
  683    HE   ARG  83           HE       ARG  83  -0.574  24.878  -2.270
  684   1HH1  ARG  83          1HH1      ARG  83   2.576  24.720  -3.802
  685   2HH1  ARG  83          2HH1      ARG  83   3.444  25.136  -2.351
  686   1HH2  ARG  83          1HH2      ARG  83   0.542  25.454  -0.390
  687   2HH2  ARG  83          2HH2      ARG  83   2.275  25.576  -0.401
  688    H    ALA  84           HN       ALA  84  -2.644  20.106  -4.904
  689    HA   ALA  84           HA       ALA  84  -2.822  18.694  -2.428
  690   1HB   ALA  84           HB2      ALA  84  -4.280  18.210  -5.018
  691   2HB   ALA  84           HB1      ALA  84  -4.704  17.546  -3.439
  692   3HB   ALA  84           HB3      ALA  84  -4.806  19.284  -3.724
  693    H    GLU  85           HN       GLU  85  -1.707  17.895  -5.701
  694    HA   GLU  85           HA       GLU  85  -1.266  15.138  -5.200
  695   1HB   GLU  85           HB2      GLU  85  -0.277  15.040  -7.300
  696   2HB   GLU  85           HB1      GLU  85  -1.360  16.410  -7.447
  697   1HG   GLU  85           HG2      GLU  85   0.494  17.941  -7.065
  698   2HG   GLU  85           HG1      GLU  85   1.584  16.576  -6.864
  699    H    LEU  86           HN       LEU  86   0.626  18.014  -4.742
  700    HA   LEU  86           HA       LEU  86   3.123  16.931  -4.167
  701   1HB   LEU  86           HB2      LEU  86   1.583  19.374  -3.442
  702   2HB   LEU  86           HB1      LEU  86   3.030  19.065  -2.539
  703    HG   LEU  86           HG       LEU  86   2.842  19.445  -5.522
  704   1HD1  LEU  86          1HD1      LEU  86   3.996  21.199  -3.359
  705   2HD1  LEU  86          3HD1      LEU  86   4.094  21.508  -5.092
  706   3HD1  LEU  86          2HD1      LEU  86   2.527  21.507  -4.283
  707   1HD2  LEU  86          2HD2      LEU  86   5.230  18.916  -3.766
  708   2HD2  LEU  86          1HD2      LEU  86   4.616  17.894  -5.063
  709   3HD2  LEU  86          3HD2      LEU  86   5.322  19.466  -5.438
  710    H    LYS  87           HN       LYS  87   0.455  17.742  -2.051
  711    HA   LYS  87           HA       LYS  87   1.475  16.665   0.332
  712   1HB   LYS  87           HB2      LYS  87  -0.708  18.115  -0.369
  713   2HB   LYS  87           HB1      LYS  87  -1.441  16.556  -0.078
  714   1HG   LYS  87           HG2      LYS  87  -1.566  17.809   1.941
  715   2HG   LYS  87           HG1      LYS  87  -0.394  16.510   2.161
  716   1HD   LYS  87           HD2      LYS  87   1.428  18.109   1.760
  717   2HD   LYS  87           HD1      LYS  87   0.241  19.402   1.573
  718   1HE   LYS  87           HE2      LYS  87   0.717  17.748   4.051
  719   2HE   LYS  87           HE1      LYS  87   1.183  19.431   3.815
  720   1HZ   LYS  87           HZ1      LYS  87  -1.609  18.401   3.842
  721   2HZ   LYS  87           HZ3      LYS  87  -0.856  19.239   5.109
  722   3HZ   LYS  87           HZ2      LYS  87  -1.161  20.019   3.632
  723    H    LEU  88           HN       LEU  88  -0.744  15.232  -2.110
  724    HA   LEU  88           HA       LEU  88  -1.008  12.930  -0.478
  725   1HB   LEU  88           HB2      LEU  88  -2.409  11.924  -1.972
  726   2HB   LEU  88           HB1      LEU  88  -2.778  13.602  -2.086
  727    HG   LEU  88           HG       LEU  88  -2.589  11.835  -4.155
  728   1HD1  LEU  88          2HD1      LEU  88  -2.631  14.792  -3.967
  729   2HD1  LEU  88          1HD1      LEU  88  -2.577  13.988  -5.539
  730   3HD1  LEU  88          3HD1      LEU  88  -3.902  13.650  -4.429
  731   1HD2  LEU  88          1HD2      LEU  88  -0.144  11.861  -4.182
  732   2HD2  LEU  88          3HD2      LEU  88  -0.874  12.517  -5.646
  733   3HD2  LEU  88          2HD2      LEU  88  -0.187  13.606  -4.438
  734    H    LYS  89           HN       LYS  89   1.284  13.694  -2.959
  735    HA   LYS  89           HA       LYS  89   2.047  10.997  -3.404
  736   1HB   LYS  89           HB2      LYS  89   3.956  11.876  -4.626
  737   2HB   LYS  89           HB1      LYS  89   2.493  12.735  -5.072
  738   1HG   LYS  89           HG2      LYS  89   3.952  14.472  -4.903
  739   2HG   LYS  89           HG1      LYS  89   3.326  14.440  -3.255
  740   1HD   LYS  89           HD2      LYS  89   5.718  14.672  -3.195
  741   2HD   LYS  89           HD1      LYS  89   5.279  13.076  -2.586
  742   1HE   LYS  89           HE2      LYS  89   5.773  12.127  -4.813
  743   2HE   LYS  89           HE1      LYS  89   6.295  13.721  -5.351
  744   1HZ   LYS  89           HZ3      LYS  89   8.019  13.670  -3.630
  745   2HZ   LYS  89           HZ2      LYS  89   7.525  12.110  -3.178
  746   3HZ   LYS  89           HZ1      LYS  89   8.179  12.378  -4.716
  747    H    ARG  90           HN       ARG  90   3.144  13.513  -1.184
  748    HA   ARG  90           HA       ARG  90   5.371  12.013  -0.237
  749   1HB   ARG  90           HB2      ARG  90   5.446  13.601   1.637
  750   2HB   ARG  90           HB1      ARG  90   5.321  14.414   0.085
  751   1HG   ARG  90           HG2      ARG  90   2.969  14.818   0.451
  752   2HG   ARG  90           HG1      ARG  90   3.031  13.923   1.969
  753   1HD   ARG  90           HD2      ARG  90   4.652  16.392   1.393
  754   2HD   ARG  90           HD1      ARG  90   3.092  16.404   2.214
  755    HE   ARG  90           HE       ARG  90   4.546  14.644   3.674
  756   1HH1  ARG  90          1HH1      ARG  90   5.190  17.893   2.543
  757   2HH1  ARG  90          2HH1      ARG  90   6.069  18.354   3.976
  758   1HH2  ARG  90          1HH2      ARG  90   5.721  15.214   5.526
  759   2HH2  ARG  90          2HH2      ARG  90   6.376  16.816   5.681
  760    H    ALA  91           HN       ALA  91   2.048  12.410   0.922
  761    HA   ALA  91           HA       ALA  91   2.355  10.806   3.239
  762   1HB   ALA  91           HB3      ALA  91  -0.147  11.441   1.678
  763   2HB   ALA  91           HB2      ALA  91  -0.084  10.798   3.319
  764   3HB   ALA  91           HB1      ALA  91   0.532  12.417   2.982
  765    H    VAL  92           HN       VAL  92   1.204  10.138  -0.041
  766    HA   VAL  92           HA       VAL  92   0.550   7.436   0.493
  767    HB   VAL  92           HB       VAL  92  -0.235   8.964  -1.454
  768   1HG1  VAL  92          1HG1      VAL  92   2.254   7.758  -2.654
  769   2HG1  VAL  92          3HG1      VAL  92   0.964   8.539  -3.570
  770   3HG1  VAL  92          2HG1      VAL  92   1.916   9.476  -2.415
  771   1HG2  VAL  92          1HG2      VAL  92  -1.000   6.691  -1.060
  772   2HG2  VAL  92          3HG2      VAL  92  -0.771   6.979  -2.786
  773   3HG2  VAL  92          2HG2      VAL  92   0.426   6.052  -1.880
  774    H    GLU  93           HN       GLU  93   3.517   9.046  -0.473
  775    HA   GLU  93           HA       GLU  93   4.951   6.734  -1.188
  776   1HB   GLU  93           HB2      GLU  93   5.678   9.478  -0.327
  777   2HB   GLU  93           HB1      GLU  93   6.915   8.244  -0.183
  778   1HG   GLU  93           HG2      GLU  93   6.523   7.689  -2.590
  779   2HG   GLU  93           HG1      GLU  93   5.477   9.108  -2.670
  780    H    GLU  94           HN       GLU  94   4.235   8.213   1.916
  781    HA   GLU  94           HA       GLU  94   5.822   6.435   3.451
  782   1HB   GLU  94           HB2      GLU  94   3.317   7.959   4.199
  783   2HB   GLU  94           HB1      GLU  94   4.347   7.103   5.345
  784   1HG   GLU  94           HG2      GLU  94   6.239   8.539   4.627
  785   2HG   GLU  94           HG1      GLU  94   5.111   9.453   3.629
  786    H    VAL  95           HN       VAL  95   2.551   6.243   2.134
  787    HA   VAL  95           HA       VAL  95   1.928   3.730   3.296
  788    HB   VAL  95           HB       VAL  95   0.916   4.832   0.669
  789   1HG1  VAL  95          2HG1      VAL  95   0.667   2.349   1.048
  790   2HG1  VAL  95          1HG1      VAL  95  -0.342   2.738   2.439
  791   3HG1  VAL  95          3HG1      VAL  95  -0.849   3.231   0.822
  792   1HG2  VAL  95          2HG2      VAL  95  -0.255   5.009   3.445
  793   2HG2  VAL  95          1HG2      VAL  95   0.423   6.343   2.512
  794   3HG2  VAL  95          3HG2      VAL  95  -1.049   5.541   1.962
  795    H    LYS  96           HN       LYS  96   3.580   4.680   0.308
  796    HA   LYS  96           HA       LYS  96   3.961   2.118  -0.778
  797   1HB   LYS  96           HB2      LYS  96   5.815   4.512  -0.888
  798   2HB   LYS  96           HB1      LYS  96   5.968   3.077  -1.892
  799   1HG   LYS  96           HG2      LYS  96   3.708   3.541  -2.809
  800   2HG   LYS  96           HG1      LYS  96   3.691   5.047  -1.890
  801   1HD   LYS  96           HD2      LYS  96   4.366   5.551  -4.133
  802   2HD   LYS  96           HD1      LYS  96   5.776   5.720  -3.085
  803   1HE   LYS  96           HE2      LYS  96   6.566   3.525  -3.767
  804   2HE   LYS  96           HE1      LYS  96   5.132   3.298  -4.765
  805   1HZ   LYS  96           HZ1      LYS  96   5.840   5.238  -6.083
  806   2HZ   LYS  96           HZ3      LYS  96   7.263   5.335  -5.162
  807   3HZ   LYS  96           HZ2      LYS  96   6.974   3.974  -6.130
  808    H    LYS  97           HN       LYS  97   5.566   3.747   1.851
  809    HA   LYS  97           HA       LYS  97   7.584   1.759   2.251
  810   1HB   LYS  97           HB2      LYS  97   8.074   3.875   3.149
  811   2HB   LYS  97           HB1      LYS  97   6.476   4.051   3.852
  812   1HG   LYS  97           HG2      LYS  97   7.667   1.807   5.075
  813   2HG   LYS  97           HG1      LYS  97   8.872   3.098   5.056
  814   1HD   LYS  97           HD2      LYS  97   7.192   4.633   6.026
  815   2HD   LYS  97           HD1      LYS  97   6.050   3.290   6.107
  816   1HE   LYS  97           HE2      LYS  97   7.459   2.119   7.665
  817   2HE   LYS  97           HE1      LYS  97   8.727   3.334   7.491
  818   1HZ   LYS  97           HZ3      LYS  97   6.011   3.867   8.585
  819   2HZ   LYS  97           HZ2      LYS  97   7.397   3.615   9.525
  820   3HZ   LYS  97           HZ1      LYS  97   7.298   4.964   8.506
  821    H    LEU  98           HN       LEU  98   4.249   2.147   3.084
  822    HA   LEU  98           HA       LEU  98   4.330   0.157   5.186
  823   1HB   LEU  98           HB2      LEU  98   2.063   1.739   4.004
  824   2HB   LEU  98           HB1      LEU  98   1.879   0.608   5.331
  825    HG   LEU  98           HG       LEU  98   3.485   3.169   5.345
  826   1HD1  LEU  98          3HD1      LEU  98   1.066   3.492   5.465
  827   2HD1  LEU  98          2HD1      LEU  98   0.983   2.375   6.827
  828   3HD1  LEU  98          1HD1      LEU  98   1.845   3.903   6.994
  829   1HD2  LEU  98          1HD2      LEU  98   4.598   1.450   6.672
  830   2HD2  LEU  98          3HD2      LEU  98   3.902   2.700   7.704
  831   3HD2  LEU  98          2HD2      LEU  98   3.095   1.140   7.541
  832    H    LEU  99           HN       LEU  99   3.060   0.348   1.864
  833    HA   LEU  99           HA       LEU  99   1.518  -2.016   2.147
  834   1HB   LEU  99           HB2      LEU  99   0.998  -1.874  -0.217
  835   2HB   LEU  99           HB1      LEU  99   0.703  -0.383   0.609
  836    HG   LEU  99           HG       LEU  99   1.968  -0.725  -1.782
  837   1HD1  LEU  99          3HD1      LEU  99   0.658   1.147  -1.134
  838   2HD1  LEU  99          2HD1      LEU  99   1.909   1.656   0.000
  839   3HD1  LEU  99          1HD1      LEU  99   2.230   1.673  -1.734
  840   1HD2  LEU  99          1HD2      LEU  99   4.062  -1.342  -0.732
  841   2HD2  LEU  99          3HD2      LEU  99   4.184   0.218  -1.541
  842   3HD2  LEU  99          2HD2      LEU  99   4.023   0.145   0.214
  843    H    VAL 100           HN       VAL 100   4.400  -2.255   2.625
  844    HA   VAL 100           HA       VAL 100   5.224  -4.146   0.564
  845    HB   VAL 100           HB       VAL 100   6.678  -3.304   3.074
  846   1HG1  VAL 100          2HG1      VAL 100   7.641  -4.694   0.579
  847   2HG1  VAL 100          1HG1      VAL 100   8.677  -4.124   1.889
  848   3HG1  VAL 100          3HG1      VAL 100   7.494  -5.396   2.191
  849   1HG2  VAL 100          1HG2      VAL 100   6.270  -1.369   1.662
  850   2HG2  VAL 100          3HG2      VAL 100   7.979  -1.803   1.647
  851   3HG2  VAL 100          2HG2      VAL 100   6.951  -2.220   0.275
  852    HA   PRO 101           HA       PRO 101   3.406  -7.556   2.793
  853   1HB   PRO 101           HB2      PRO 101   5.031  -9.515   1.723
  854   2HB   PRO 101           HB1      PRO 101   3.583  -8.869   0.943
  855   1HG   PRO 101           HG2      PRO 101   6.451  -8.143   0.514
  856   2HG   PRO 101           HG1      PRO 101   5.164  -8.371  -0.686
  857   1HD   PRO 101           HD2      PRO 101   5.946  -5.927   0.049
  858   2HD   PRO 101           HD1      PRO 101   4.228  -6.283  -0.251
  859    H    ALA 102           HN       ALA 102   6.827  -6.879   2.761
  860    HA   ALA 102           HA       ALA 102   8.413  -6.953   4.365
  861   1HB   ALA 102           HB3      ALA 102   7.822  -7.209   6.697
  862   2HB   ALA 102           HB2      ALA 102   6.669  -6.142   5.895
  863   3HB   ALA 102           HB1      ALA 102   6.225  -7.811   6.254
  864    H    ALA 103           HN       ALA 103   7.108  -9.436   2.952
  865    HA   ALA 103           HA       ALA 103   8.211 -11.589   4.532
  866   1HB   ALA 103           HB3      ALA 103   7.336 -13.046   2.787
  867   2HB   ALA 103           HB2      ALA 103   6.097 -11.916   3.335
  868   3HB   ALA 103           HB1      ALA 103   6.928 -11.639   1.804
  869    H    GLU 104           HN       GLU 104   9.354  -9.343   2.408
  870    HA   GLU 104           HA       GLU 104  11.433 -11.074   1.291
  871   1HB   GLU 104           HB2      GLU 104  11.939  -9.290  -0.224
  872   2HB   GLU 104           HB1      GLU 104  10.195  -9.474  -0.196
  873   1HG   GLU 104           HG2      GLU 104  11.801  -7.341   1.192
  874   2HG   GLU 104           HG1      GLU 104  10.776  -7.141  -0.228
  875    H    GLY 105           HN       GLY 105  10.865  -8.997   3.874
  876   1HA   GLY 105           HA1      GLY 105  13.636  -9.164   4.695
  877   2HA   GLY 105           HA2      GLY 105  12.292  -8.569   5.659
  878    H    GLU 106           HN       GLU 106  14.008  -7.704   2.681
  879    HA   GLU 106           HA       GLU 106  13.715  -4.881   3.370
  880   1HB   GLU 106           HB2      GLU 106  16.111  -4.516   2.726
  881   2HB   GLU 106           HB1      GLU 106  15.889  -5.424   4.215
  882   1HG   GLU 106           HG2      GLU 106  16.253  -7.512   2.937
  883   2HG   GLU 106           HG1      GLU 106  16.607  -6.535   1.514
  884    H    ASP 107           HN       ASP 107  12.710  -3.962   1.708
  885    HA   ASP 107           HA       ASP 107  12.948  -5.166  -0.933
  886   1HB   ASP 107           HB2      ASP 107  11.013  -3.808  -1.548
  887   2HB   ASP 107           HB1      ASP 107  10.691  -4.712  -0.075
  888    H    SER 108           HN       SER 108  13.038  -1.876   0.397
  889    HA   SER 108           HA       SER 108  14.122  -0.752  -1.962
  890   1HB   SER 108           HB2      SER 108  12.778   0.492  -0.303
  891   2HB   SER 108           HB1      SER 108  14.094   0.339   0.856
  892    HG   SER 108           HG       SER 108  14.608   1.471  -1.665
  893    H    LEU 109           HN       LEU 109  15.520  -2.379   0.707
  894    HA   LEU 109           HA       LEU 109  18.149  -1.231   0.358
  895   1HB   LEU 109           HB2      LEU 109  17.246  -3.554   2.058
  896   2HB   LEU 109           HB1      LEU 109  18.827  -2.797   2.118
  897    HG   LEU 109           HG       LEU 109  16.220  -1.454   2.825
  898   1HD1  LEU 109          3HD1      LEU 109  18.472  -2.450   4.561
  899   2HD1  LEU 109          2HD1      LEU 109  17.076  -1.527   5.118
  900   3HD1  LEU 109          1HD1      LEU 109  16.855  -3.146   4.450
  901   1HD2  LEU 109          3HD2      LEU 109  17.869   0.103   1.904
  902   2HD2  LEU 109          2HD2      LEU 109  17.623   0.370   3.630
  903   3HD2  LEU 109          1HD2      LEU 109  19.064  -0.476   3.065
  904    H    LYS 110           HN       LYS 110  16.680  -4.448  -0.094
  905    HA   LYS 110           HA       LYS 110  19.129  -5.548  -1.111
  906   1HB   LYS 110           HB2      LYS 110  17.190  -6.715   0.196
  907   2HB   LYS 110           HB1      LYS 110  16.470  -6.893  -1.399
  908   1HG   LYS 110           HG2      LYS 110  17.639  -8.899  -0.935
  909   2HG   LYS 110           HG1      LYS 110  18.594  -8.013  -2.128
  910   1HD   LYS 110           HD2      LYS 110  20.065  -7.198  -0.376
  911   2HD   LYS 110           HD1      LYS 110  19.089  -8.010   0.849
  912   1HE   LYS 110           HE2      LYS 110  20.990  -9.376   0.451
  913   2HE   LYS 110           HE1      LYS 110  19.613 -10.172  -0.309
  914   1HZ   LYS 110           HZ2      LYS 110  21.617  -8.493  -1.727
  915   2HZ   LYS 110           HZ1      LYS 110  21.588 -10.190  -1.715
  916   3HZ   LYS 110           HZ3      LYS 110  20.324  -9.328  -2.443
  917    H    LYS 111           HN       LYS 111  15.903  -5.007  -2.540
  918    HA   LYS 111           HA       LYS 111  16.595  -6.046  -5.065
  919   1HB   LYS 111           HB2      LYS 111  14.397  -4.044  -4.561
  920   2HB   LYS 111           HB1      LYS 111  14.467  -5.270  -5.814
  921   1HG   LYS 111           HG2      LYS 111  14.162  -5.782  -2.864
  922   2HG   LYS 111           HG1      LYS 111  12.878  -5.853  -4.067
  923   1HD   LYS 111           HD2      LYS 111  14.117  -7.676  -5.205
  924   2HD   LYS 111           HD1      LYS 111  15.299  -7.642  -3.893
  925   1HE   LYS 111           HE2      LYS 111  13.476  -8.113  -2.290
  926   2HE   LYS 111           HE1      LYS 111  12.351  -8.236  -3.639
  927   1HZ   LYS 111           HZ2      LYS 111  13.787 -10.064  -4.503
  928   2HZ   LYS 111           HZ1      LYS 111  14.657 -10.015  -3.055
  929   3HZ   LYS 111           HZ3      LYS 111  13.012 -10.420  -3.035
  930    H    MET 112           HN       MET 112  16.600  -2.779  -3.767
  931    HA   MET 112           HA       MET 112  17.076  -1.522  -6.275
  932   1HB   MET 112           HB2      MET 112  17.207  -0.560  -3.437
  933   2HB   MET 112           HB1      MET 112  17.711   0.467  -4.773
  934   1HG   MET 112           HG2      MET 112  15.512   0.317  -5.762
  935   2HG   MET 112           HG1      MET 112  14.991  -0.792  -4.499
  936   1HE   MET 112           HE3      MET 112  17.260   2.416  -4.140
  937   2HE   MET 112           HE2      MET 112  16.076   2.879  -5.363
  938   3HE   MET 112           HE1      MET 112  16.050   3.646  -3.775
  939    H    LYS 113           HN       LYS 113  19.148  -2.882  -3.825
  940    HA   LYS 113           HA       LYS 113  21.530  -1.583  -4.734
  941   1HB   LYS 113           HB2      LYS 113  21.004  -2.818  -2.466
  942   2HB   LYS 113           HB1      LYS 113  21.558  -4.237  -3.336
  943   1HG   LYS 113           HG2      LYS 113  23.225  -1.747  -3.108
  944   2HG   LYS 113           HG1      LYS 113  23.245  -3.015  -1.886
  945   1HD   LYS 113           HD2      LYS 113  24.887  -3.922  -3.100
  946   2HD   LYS 113           HD1      LYS 113  23.620  -4.419  -4.218
  947   1HE   LYS 113           HE2      LYS 113  25.489  -3.296  -5.356
  948   2HE   LYS 113           HE1      LYS 113  23.967  -2.427  -5.557
  949   1HZ   LYS 113           HZ3      LYS 113  26.010  -1.730  -3.510
  950   2HZ   LYS 113           HZ2      LYS 113  25.924  -0.996  -5.038
  951   3HZ   LYS 113           HZ1      LYS 113  24.639  -0.827  -3.943
  952    H    LEU 114           HN       LEU 114  19.860  -4.587  -5.529
  953    HA   LEU 114           HA       LEU 114  22.085  -5.424  -7.159
  954   1HB   LEU 114           HB2      LEU 114  20.917  -7.021  -5.692
  955   2HB   LEU 114           HB1      LEU 114  19.445  -6.773  -6.614
  956    HG   LEU 114           HG       LEU 114  20.513  -7.726  -8.599
  957   1HD1  LEU 114          1HD1      LEU 114  22.806  -7.020  -8.077
  958   2HD1  LEU 114          3HD1      LEU 114  22.867  -8.212  -6.780
  959   3HD1  LEU 114          2HD1      LEU 114  22.712  -8.741  -8.455
  960   1HD2  LEU 114          1HD2      LEU 114  19.292  -9.173  -7.063
  961   2HD2  LEU 114          3HD2      LEU 114  20.645 -10.029  -7.803
  962   3HD2  LEU 114          2HD2      LEU 114  20.769  -9.451  -6.141
  963    H    MET 115           HN       MET 115  18.553  -5.157  -7.717
  964    HA   MET 115           HA       MET 115  19.048  -5.249 -10.569
  965   1HB   MET 115           HB2      MET 115  17.217  -6.569  -9.617
  966   2HB   MET 115           HB1      MET 115  16.446  -5.097  -9.043
  967   1HG   MET 115           HG2      MET 115  16.127  -4.342 -11.320
  968   2HG   MET 115           HG1      MET 115  16.973  -5.761 -11.930
  969   1HE   MET 115           HE2      MET 115  13.768  -4.428 -10.108
  970   2HE   MET 115           HE1      MET 115  12.894  -5.924  -9.775
  971   3HE   MET 115           HE3      MET 115  14.411  -5.584  -8.942
  972    H    GLU 116           HN       GLU 116  17.477  -3.002  -8.297
  973    HA   GLU 116           HA       GLU 116  16.830  -1.096 -10.280
  974   1HB   GLU 116           HB2      GLU 116  17.108  -0.748  -7.299
  975   2HB   GLU 116           HB1      GLU 116  16.363   0.412  -8.389
  976   1HG   GLU 116           HG2      GLU 116  15.386  -2.408  -8.031
  977   2HG   GLU 116           HG1      GLU 116  14.775  -1.033  -7.114
  978    H    LEU 117           HN       LEU 117  19.753  -1.847  -8.787
  979    HA   LEU 117           HA       LEU 117  20.993   0.718  -8.790
  980   1HB   LEU 117           HB2      LEU 117  21.661  -1.454  -7.547
  981   2HB   LEU 117           HB1      LEU 117  22.432  -1.914  -9.048
  982    HG   LEU 117           HG       LEU 117  23.959  -0.946  -7.311
  983   1HD1  LEU 117          3HD1      LEU 117  24.595  -0.988  -9.667
  984   2HD1  LEU 117          2HD1      LEU 117  23.808   0.571  -9.911
  985   3HD1  LEU 117          1HD1      LEU 117  25.215   0.452  -8.856
  986   1HD2  LEU 117          3HD2      LEU 117  22.475   1.597  -7.964
  987   2HD2  LEU 117          2HD2      LEU 117  22.478   0.753  -6.415
  988   3HD2  LEU 117          1HD2      LEU 117  23.962   1.490  -7.021
  989    H    ALA 118           HN       ALA 118  21.441  -2.112 -10.873
  990    HA   ALA 118           HA       ALA 118  21.254  -0.763 -13.314
  991   1HB   ALA 118           HB2      ALA 118  24.088  -1.359 -12.451
  992   2HB   ALA 118           HB1      ALA 118  23.591  -0.815 -14.053
  993   3HB   ALA 118           HB3      ALA 118  23.394   0.249 -12.660
  994    H    ILE 119           HN       ILE 119  20.684  -3.244 -11.714
  995    HA   ILE 119           HA       ILE 119  20.577  -5.502 -11.873
  996    HB   ILE 119           HB       ILE 119  21.050  -5.349 -14.836
  997   1HG1  ILE 119          2HG1      ILE 119  18.498  -4.468 -13.456
  998   2HG1  ILE 119          1HG1      ILE 119  19.646  -3.370 -14.212
  999   1HG2  ILE 119          2HG2      ILE 119  20.550  -7.506 -13.766
 1000   2HG2  ILE 119          1HG2      ILE 119  19.046  -6.838 -13.134
 1001   3HG2  ILE 119          3HG2      ILE 119  19.266  -7.022 -14.875
 1002   1HD1  ILE 119          2HD1      ILE 119  19.219  -4.440 -16.374
 1003   2HD1  ILE 119          1HD1      ILE 119  18.041  -5.502 -15.604
 1004   3HD1  ILE 119          3HD1      ILE 119  17.756  -3.763 -15.661
 1005    H    LEU 120           HN       LEU 120  21.905  -7.296 -13.693
 1006    HA   LEU 120           HA       LEU 120  24.546  -7.188 -12.518
 1007   1HB   LEU 120           HB2      LEU 120  23.161  -9.266 -14.203
 1008   2HB   LEU 120           HB1      LEU 120  24.851  -9.389 -13.762
 1009    HG   LEU 120           HG       LEU 120  23.638 -10.755 -12.250
 1010   1HD1  LEU 120          1HD1      LEU 120  24.292  -8.155 -10.876
 1011   2HD1  LEU 120          3HD1      LEU 120  24.095  -9.719 -10.085
 1012   3HD1  LEU 120          2HD1      LEU 120  25.419  -9.468 -11.222
 1013   1HD2  LEU 120          1HD2      LEU 120  21.417  -9.806 -12.616
 1014   2HD2  LEU 120          3HD2      LEU 120  21.777  -9.967 -10.898
 1015   3HD2  LEU 120          2HD2      LEU 120  21.868  -8.385 -11.674
 1016    H    ASN 121           HN       ASN 121  25.251  -5.317 -13.582
 1017    HA   ASN 121           HA       ASN 121  25.602  -5.410 -16.468
 1018   1HB   ASN 121           HB2      ASN 121  26.313  -3.107 -16.287
 1019   2HB   ASN 121           HB1      ASN 121  24.872  -3.316 -15.299
 1020   1HD2  ASN 121          1HD2      ASN 121  25.089  -3.327 -13.019
 1021   2HD2  ASN 121          2HD2      ASN 121  26.482  -2.640 -12.253
 1022    H    GLY 122           HN       GLY 122  27.185  -6.722 -13.972
 1023   1HA   GLY 122           HA1      GLY 122  29.860  -6.255 -15.134
 1024   2HA   GLY 122           HA2      GLY 122  29.309  -7.855 -14.658
 1025    H    THR 123           HN       THR 123  28.248  -5.344 -12.643
 1026    HA   THR 123           HA       THR 123  30.339  -4.829 -10.939
 1027    HB   THR 123           HB       THR 123  27.449  -5.187 -10.131
 1028    HG1  THR 123           HG1      THR 123  28.837  -3.075 -11.431
 1029   1HG2  THR 123          1HG2      THR 123  29.650  -3.471  -8.967
 1030   2HG2  THR 123          3HG2      THR 123  27.966  -3.484  -8.438
 1031   3HG2  THR 123          2HG2      THR 123  28.967  -4.920  -8.227
 1032    H    TYR 124           HN       TYR 124  27.861  -7.363 -10.437
 1033    HA   TYR 124           HA       TYR 124  29.800  -8.777  -8.727
 1034   1HB   TYR 124           HB2      TYR 124  26.785  -9.038  -8.766
 1035   2HB   TYR 124           HB1      TYR 124  27.878  -9.913  -7.703
 1036    HD1  TYR 124           HD1      TYR 124  25.796  -7.097  -8.015
 1037    HD2  TYR 124           HD2      TYR 124  29.404  -8.408  -6.181
 1038    HE1  TYR 124           HE1      TYR 124  25.589  -5.306  -6.345
 1039    HE2  TYR 124           HE2      TYR 124  29.209  -6.620  -4.505
 1040    HH   TYR 124           HH       TYR 124  28.109  -4.385  -4.303
 1041    H    ARG 125           HN       ARG 125  27.080  -9.402 -10.878
 1042    HA   ARG 125           HA       ARG 125  26.726 -10.814 -12.591
 1043   1HB   ARG 125           HB2      ARG 125  29.102 -10.354 -13.258
 1044   2HB   ARG 125           HB1      ARG 125  29.571 -11.790 -12.354
 1045   1HG   ARG 125           HG2      ARG 125  29.336 -12.270 -14.738
 1046   2HG   ARG 125           HG1      ARG 125  28.156 -13.170 -13.781
 1047   1HD   ARG 125           HD2      ARG 125  26.537 -11.276 -14.266
 1048   2HD   ARG 125           HD1      ARG 125  27.703 -10.713 -15.459
 1049    HE   ARG 125           HE       ARG 125  27.362 -13.230 -16.255
 1050   1HH1  ARG 125          1HH1      ARG 125  25.023 -10.812 -15.296
 1051   2HH1  ARG 125          2HH1      ARG 125  23.750 -11.430 -16.297
 1052   1HH2  ARG 125          1HH2      ARG 125  25.687 -14.064 -17.595
 1053   2HH2  ARG 125          2HH2      ARG 125  24.132 -13.281 -17.616
 1054    H    ASP 126           HN       ASP 126  28.501 -12.234  -9.856
 1055    HA   ASP 126           HA       ASP 126  27.287 -14.804 -10.249
 1056   1HB   ASP 126           HB2      ASP 126  28.369 -15.443  -8.216
 1057   2HB   ASP 126           HB1      ASP 126  29.496 -14.411  -9.081
 1058    H    ALA 127           HN       ALA 127  26.377 -11.866  -8.771
 1059    HA   ALA 127           HA       ALA 127  24.260 -12.959  -7.174
 1060   1HB   ALA 127           HB1      ALA 127  23.601 -10.649  -6.816
 1061   2HB   ALA 127           HB2      ALA 127  24.702 -10.118  -8.088
 1062   3HB   ALA 127           HB3      ALA 127  25.342 -10.824  -6.603
 1063    H    ASN 128           HN       ASN 128  24.643 -13.164 -10.283
 1064    HA   ASN 128           HA       ASN 128  22.281 -12.109 -11.435
 1065   1HB   ASN 128           HB2      ASN 128  24.107 -12.652 -12.878
 1066   2HB   ASN 128           HB1      ASN 128  24.181 -14.307 -12.278
 1067   1HD2  ASN 128          1HD2      ASN 128  22.895 -15.831 -13.185
 1068   2HD2  ASN 128          2HD2      ASN 128  21.823 -15.534 -14.514
 1069    H    LEU 129           HN       LEU 129  22.982 -14.910  -9.561
 1070    HA   LEU 129           HA       LEU 129  20.583 -16.327 -10.239
 1071   1HB   LEU 129           HB2      LEU 129  22.533 -16.657  -7.962
 1072   2HB   LEU 129           HB1      LEU 129  21.178 -17.728  -8.256
 1073    HG   LEU 129           HG       LEU 129  23.471 -17.276 -10.158
 1074   1HD1  LEU 129          3HD1      LEU 129  24.169 -18.450  -8.132
 1075   2HD1  LEU 129          2HD1      LEU 129  22.867 -19.617  -8.359
 1076   3HD1  LEU 129          1HD1      LEU 129  24.179 -19.520  -9.532
 1077   1HD2  LEU 129          2HD2      LEU 129  21.173 -19.225 -10.230
 1078   2HD2  LEU 129          1HD2      LEU 129  21.410 -17.850 -11.309
 1079   3HD2  LEU 129          3HD2      LEU 129  22.536 -19.208 -11.347
 1080    H    LYS 130           HN       LYS 130  19.278 -14.283  -9.890
 1081    HA   LYS 130           HA       LYS 130  18.583 -13.596  -7.216
 1082   1HB   LYS 130           HB2      LYS 130  17.125 -13.197  -9.833
 1083   2HB   LYS 130           HB1      LYS 130  16.485 -12.643  -8.295
 1084   1HG   LYS 130           HG2      LYS 130  17.485 -10.748  -9.141
 1085   2HG   LYS 130           HG1      LYS 130  18.726 -11.389  -8.069
 1086   1HD   LYS 130           HD2      LYS 130  19.973 -10.907  -9.934
 1087   2HD   LYS 130           HD1      LYS 130  19.554 -12.590 -10.247
 1088   1HE   LYS 130           HE2      LYS 130  17.966 -10.262 -11.304
 1089   2HE   LYS 130           HE1      LYS 130  19.291 -11.007 -12.190
 1090   1HZ   LYS 130           HZ1      LYS 130  16.988 -12.601 -11.230
 1091   2HZ   LYS 130           HZ3      LYS 130  16.940 -11.768 -12.704
 1092   3HZ   LYS 130           HZ2      LYS 130  18.101 -12.978 -12.454
 1093    H    SER 131           HN       SER 131  17.674 -16.048  -9.454
 1094    HA   SER 131           HA       SER 131  16.028 -17.276  -7.355
 1095   1HB   SER 131           HB2      SER 131  15.618 -17.655 -10.332
 1096   2HB   SER 131           HB1      SER 131  14.568 -18.209  -9.028
 1097    HG   SER 131           HG       SER 131  13.582 -16.368  -9.259
 1098    HA   PRO 132           HA       PRO 132  19.671 -19.920  -8.304
 1099   1HB   PRO 132           HB2      PRO 132  19.991 -20.343  -5.486
 1100   2HB   PRO 132           HB1      PRO 132  20.991 -19.363  -6.557
 1101   1HG   PRO 132           HG2      PRO 132  19.415 -18.352  -4.536
 1102   2HG   PRO 132           HG1      PRO 132  19.955 -17.429  -5.949
 1103   1HD   PRO 132           HD2      PRO 132  17.320 -18.757  -5.444
 1104   2HD   PRO 132           HD1      PRO 132  17.665 -17.186  -6.203
 1105    H    ALA 133           HN       ALA 133  16.965 -20.866  -8.388
 1106    HA   ALA 133           HA       ALA 133  15.757 -22.787  -8.295
 1107   1HB   ALA 133           HB1      ALA 133  17.745 -23.741  -9.334
 1108   2HB   ALA 133           HB2      ALA 133  16.984 -24.901  -8.244
 1109   3HB   ALA 133           HB3      ALA 133  18.442 -24.045  -7.742
 1110    H    LEU 134           HN       LEU 134  16.001 -21.221  -5.909
 1111    HA   LEU 134           HA       LEU 134  16.153 -23.067  -3.695
 1112   1HB   LEU 134           HB2      LEU 134  15.202 -20.198  -3.797
 1113   2HB   LEU 134           HB1      LEU 134  15.442 -21.134  -2.334
 1114    HG   LEU 134           HG       LEU 134  17.590 -20.272  -4.274
 1115   1HD1  LEU 134          1HD1      LEU 134  16.996 -19.445  -1.436
 1116   2HD1  LEU 134          3HD1      LEU 134  18.383 -18.923  -2.393
 1117   3HD1  LEU 134          2HD1      LEU 134  16.752 -18.462  -2.881
 1118   1HD2  LEU 134          1HD2      LEU 134  18.054 -22.488  -3.318
 1119   2HD2  LEU 134          3HD2      LEU 134  19.169 -21.260  -2.719
 1120   3HD2  LEU 134          2HD2      LEU 134  17.846 -21.820  -1.698

  No H/Q in entry =        1120
  Start of MODEL   15
    1    H1   GLN   1           HT2      GLN   1 -10.426  14.781 -12.531
    2    H2   GLN   1           HT1      GLN   1 -11.245  15.921 -11.573
    3    H3   GLN   1           HT3      GLN   1  -9.706  16.277 -12.183
    4    HA   GLN   1           HA       GLN   1  -9.423  15.755  -9.926
    5   1HB   GLN   1           HB2      GLN   1 -10.511  14.076  -8.810
    6   2HB   GLN   1           HB1      GLN   1 -11.680  14.309 -10.100
    7   1HG   GLN   1           HG2      GLN   1 -10.382  12.477 -11.326
    8   2HG   GLN   1           HG1      GLN   1  -9.651  12.163  -9.763
    9   1HE2  GLN   1          1HE2      GLN   1 -10.892  11.320  -8.104
   10   2HE2  GLN   1          2HE2      GLN   1 -12.418  10.564  -8.397
   11    H    LEU   2           HN       LEU   2  -7.773  14.197  -9.096
   12    HA   LEU   2           HA       LEU   2  -6.487  12.704 -11.283
   13   1HB   LEU   2           HB2      LEU   2  -5.326  14.472  -9.200
   14   2HB   LEU   2           HB1      LEU   2  -4.418  13.038  -9.634
   15    HG   LEU   2           HG       LEU   2  -5.274  15.229 -11.519
   16   1HD1  LEU   2          1HD1      LEU   2  -2.568  14.478 -10.401
   17   2HD1  LEU   2          3HD1      LEU   2  -2.868  15.712 -11.627
   18   3HD1  LEU   2          2HD1      LEU   2  -3.501  15.919  -9.993
   19   1HD2  LEU   2          3HD2      LEU   2  -5.237  13.036 -12.597
   20   2HD2  LEU   2          2HD2      LEU   2  -3.897  14.039 -13.158
   21   3HD2  LEU   2          1HD2      LEU   2  -3.608  12.754 -11.985
   22    H    GLN   3           HN       GLN   3  -6.187  10.613 -10.966
   23    HA   GLN   3           HA       GLN   3  -6.174   9.623  -8.189
   24   1HB   GLN   3           HB2      GLN   3  -6.991   7.929 -10.538
   25   2HB   GLN   3           HB1      GLN   3  -7.236   7.618  -8.828
   26   1HG   GLN   3           HG2      GLN   3  -8.768   9.710  -8.928
   27   2HG   GLN   3           HG1      GLN   3  -8.775   9.394 -10.664
   28   1HE2  GLN   3          1HE2      GLN   3  -8.461   6.470 -10.149
   29   2HE2  GLN   3          2HE2      GLN   3 -10.019   5.920  -9.631
   30    H    GLU   4           HN       GLU   4  -4.376   8.533  -7.642
   31    HA   GLU   4           HA       GLU   4  -2.773   7.430  -9.849
   32   1HB   GLU   4           HB2      GLU   4  -1.615   8.170  -7.174
   33   2HB   GLU   4           HB1      GLU   4  -0.768   7.865  -8.685
   34   1HG   GLU   4           HG2      GLU   4  -2.289   9.963  -9.411
   35   2HG   GLU   4           HG1      GLU   4  -2.081  10.297  -7.695
   36    H    LYS   5           HN       LYS   5  -2.491   5.302  -9.808
   37    HA   LYS   5           HA       LYS   5  -3.602   3.916  -7.469
   38   1HB   LYS   5           HB2      LYS   5  -3.339   2.613 -10.158
   39   2HB   LYS   5           HB1      LYS   5  -4.381   2.175  -8.827
   40   1HG   LYS   5           HG2      LYS   5  -5.830   3.023 -10.430
   41   2HG   LYS   5           HG1      LYS   5  -5.636   4.338  -9.268
   42   1HD   LYS   5           HD2      LYS   5  -5.591   5.070 -11.640
   43   2HD   LYS   5           HD1      LYS   5  -4.130   5.494 -10.744
   44   1HE   LYS   5           HE2      LYS   5  -2.989   3.545 -11.729
   45   2HE   LYS   5           HE1      LYS   5  -4.454   3.152 -12.631
   46   1HZ   LYS   5           HZ3      LYS   5  -2.944   5.697 -12.895
   47   2HZ   LYS   5           HZ2      LYS   5  -2.798   4.384 -13.956
   48   3HZ   LYS   5           HZ1      LYS   5  -4.274   5.210 -13.830
   49    H    LEU   6           HN       LEU   6  -2.210   2.896  -6.293
   50    HA   LEU   6           HA       LEU   6   0.318   2.028  -7.523
   51   1HB   LEU   6           HB2      LEU   6  -0.211   2.503  -4.590
   52   2HB   LEU   6           HB1      LEU   6   1.344   2.351  -5.395
   53    HG   LEU   6           HG       LEU   6  -0.577   4.605  -5.962
   54   1HD1  LEU   6          3HD1      LEU   6   0.132   4.607  -3.585
   55   2HD1  LEU   6          2HD1      LEU   6   1.809   4.691  -4.127
   56   3HD1  LEU   6          1HD1      LEU   6   0.691   6.008  -4.498
   57   1HD2  LEU   6          3HD2      LEU   6   1.074   4.116  -7.701
   58   2HD2  LEU   6          2HD2      LEU   6   1.368   5.679  -6.938
   59   3HD2  LEU   6          1HD2      LEU   6   2.370   4.290  -6.515
   60    H    TYR   7           HN       TYR   7  -0.052   0.013  -8.144
   61    HA   TYR   7           HA       TYR   7  -1.978  -1.658  -6.878
   62   1HB   TYR   7           HB2      TYR   7  -0.139  -1.902  -9.203
   63   2HB   TYR   7           HB1      TYR   7  -0.798  -3.386  -8.512
   64    HD1  TYR   7           HD1      TYR   7  -3.088  -3.987  -8.853
   65    HD2  TYR   7           HD2      TYR   7  -1.649  -0.191 -10.126
   66    HE1  TYR   7           HE1      TYR   7  -5.159  -3.635 -10.132
   67    HE2  TYR   7           HE2      TYR   7  -3.704   0.175 -11.403
   68    HH   TYR   7           HH       TYR   7  -6.479  -1.749 -11.011
   69    H    VAL   8           HN       VAL   8  -1.798  -3.164  -5.406
   70    HA   VAL   8           HA       VAL   8   0.822  -4.444  -5.002
   71    HB   VAL   8           HB       VAL   8  -0.016  -4.860  -2.604
   72   1HG1  VAL   8          1HG1      VAL   8   0.775  -2.072  -3.441
   73   2HG1  VAL   8          3HG1      VAL   8   0.860  -2.707  -1.797
   74   3HG1  VAL   8          2HG1      VAL   8   1.866  -3.409  -3.064
   75   1HG2  VAL   8          1HG2      VAL   8  -1.832  -2.583  -3.411
   76   2HG2  VAL   8          3HG2      VAL   8  -2.304  -4.193  -2.852
   77   3HG2  VAL   8          2HG2      VAL   8  -1.524  -3.066  -1.738
   78    HA   PRO   9           HA       PRO   9  -2.004  -7.568  -6.376
   79   1HB   PRO   9           HB2      PRO   9  -0.228  -9.576  -6.718
   80   2HB   PRO   9           HB1      PRO   9  -0.371  -8.224  -7.849
   81   1HG   PRO   9           HG2      PRO   9   1.634  -8.690  -5.685
   82   2HG   PRO   9           HG1      PRO   9   1.875  -8.039  -7.319
   83   1HD   PRO   9           HD2      PRO   9   1.710  -6.466  -5.078
   84   2HD   PRO   9           HD1      PRO   9   1.259  -5.911  -6.703
   85    H    VAL  10           HN       VAL  10  -3.113  -7.717  -4.415
   86    HA   VAL  10           HA       VAL  10  -2.124  -9.022  -2.114
   87    HB   VAL  10           HB       VAL  10  -4.099  -7.428  -2.295
   88   1HG1  VAL  10          3HG1      VAL  10  -5.321  -8.578  -4.049
   89   2HG1  VAL  10          2HG1      VAL  10  -5.574  -9.954  -2.973
   90   3HG1  VAL  10          1HG1      VAL  10  -6.304  -8.393  -2.596
   91   1HG2  VAL  10          2HG2      VAL  10  -4.383  -9.934  -0.653
   92   2HG2  VAL  10          1HG2      VAL  10  -3.512  -8.467  -0.202
   93   3HG2  VAL  10          3HG2      VAL  10  -5.267  -8.432  -0.373
   94    H    LYS  11           HN       LYS  11  -3.449 -10.114  -5.062
   95    HA   LYS  11           HA       LYS  11  -4.128 -12.768  -4.319
   96   1HB   LYS  11           HB2      LYS  11  -3.207 -11.695  -6.997
   97   2HB   LYS  11           HB1      LYS  11  -3.930 -13.272  -6.729
   98   1HG   LYS  11           HG2      LYS  11  -5.964 -12.085  -5.878
   99   2HG   LYS  11           HG1      LYS  11  -5.225 -10.583  -6.440
  100   1HD   LYS  11           HD2      LYS  11  -6.745 -11.444  -8.128
  101   2HD   LYS  11           HD1      LYS  11  -5.075 -11.523  -8.701
  102   1HE   LYS  11           HE2      LYS  11  -4.963 -13.874  -8.235
  103   2HE   LYS  11           HE1      LYS  11  -6.545 -13.843  -7.460
  104   1HZ   LYS  11           HZ1      LYS  11  -6.141 -13.136 -10.311
  105   2HZ   LYS  11           HZ3      LYS  11  -6.470 -14.715  -9.795
  106   3HZ   LYS  11           HZ2      LYS  11  -7.599 -13.484  -9.518
  107    H    GLU  12           HN       GLU  12  -1.182 -11.125  -5.126
  108    HA   GLU  12           HA       GLU  12   0.423 -13.476  -5.435
  109   1HB   GLU  12           HB2      GLU  12   1.092 -10.561  -5.133
  110   2HB   GLU  12           HB1      GLU  12   2.309 -11.820  -5.317
  111   1HG   GLU  12           HG2      GLU  12   0.149 -11.135  -7.297
  112   2HG   GLU  12           HG1      GLU  12   1.867 -10.769  -7.443
  113    H    TYR  13           HN       TYR  13  -0.537 -11.394  -2.855
  114    HA   TYR  13           HA       TYR  13   1.162 -12.933  -1.007
  115   1HB   TYR  13           HB2      TYR  13   0.213 -10.078  -0.656
  116   2HB   TYR  13           HB1      TYR  13   1.286 -10.967   0.429
  117    HD1  TYR  13           HD1      TYR  13   3.594 -11.359  -0.159
  118    HD2  TYR  13           HD2      TYR  13   1.018  -9.226  -2.779
  119    HE1  TYR  13           HE1      TYR  13   5.549 -10.552  -1.398
  120    HE2  TYR  13           HE2      TYR  13   2.968  -8.414  -4.041
  121    HH   TYR  13           HH       TYR  13   5.367  -8.056  -3.699
  122    HA   PRO  14           HA       PRO  14  -3.233 -13.876  -0.032
  123   1HB   PRO  14           HB2      PRO  14  -2.140 -16.474   0.756
  124   2HB   PRO  14           HB1      PRO  14  -3.381 -16.100  -0.443
  125   1HG   PRO  14           HG2      PRO  14  -0.931 -16.979  -1.141
  126   2HG   PRO  14           HG1      PRO  14  -1.851 -15.839  -2.142
  127   1HD   PRO  14           HD2      PRO  14   0.398 -15.297  -0.235
  128   2HD   PRO  14           HD1      PRO  14   0.108 -14.623  -1.855
  129    H    ASP  15           HN       ASP  15  -0.269 -14.099   1.757
  130    HA   ASP  15           HA       ASP  15  -1.728 -14.472   4.272
  131   1HB   ASP  15           HB2      ASP  15   0.385 -14.986   5.270
  132   2HB   ASP  15           HB1      ASP  15   0.276 -15.890   3.765
  133    H    PHE  16           HN       PHE  16  -0.356 -12.029   2.371
  134    HA   PHE  16           HA       PHE  16  -0.197 -10.245   4.706
  135   1HB   PHE  16           HB2      PHE  16   1.842 -10.480   3.168
  136   2HB   PHE  16           HB1      PHE  16   0.896  -9.554   1.992
  137    HD1  PHE  16           HD1      PHE  16   2.505  -9.459   5.289
  138    HD2  PHE  16           HD2      PHE  16   0.481  -7.225   2.295
  139    HE1  PHE  16           HE1      PHE  16   3.172  -7.374   6.408
  140    HE2  PHE  16           HE2      PHE  16   1.153  -5.137   3.387
  141    HZ   PHE  16           HZ       PHE  16   2.477  -5.207   5.466
  142    H    ASN  17           HN       ASN  17  -2.071  -9.318   5.004
  143    HA   ASN  17           HA       ASN  17  -3.758  -8.622   2.764
  144   1HB   ASN  17           HB2      ASN  17  -5.426  -8.055   4.413
  145   2HB   ASN  17           HB1      ASN  17  -4.731  -9.615   4.801
  146   1HD2  ASN  17          1HD2      ASN  17  -2.299  -8.021   5.911
  147   2HD2  ASN  17          2HD2      ASN  17  -2.836  -7.478   7.457
  148    H    PHE  18           HN       PHE  18  -2.964  -6.895   1.641
  149    HA   PHE  18           HA       PHE  18  -1.534  -4.800   2.764
  150   1HB   PHE  18           HB2      PHE  18  -3.096  -4.908   0.194
  151   2HB   PHE  18           HB1      PHE  18  -2.061  -3.548   0.656
  152    HD1  PHE  18           HD1      PHE  18   0.388  -4.304   1.468
  153    HD2  PHE  18           HD2      PHE  18  -2.196  -6.518  -1.083
  154    HE1  PHE  18           HE1      PHE  18   2.342  -5.505   0.538
  155    HE2  PHE  18           HE2      PHE  18  -0.279  -7.710  -2.016
  156    HZ   PHE  18           HZ       PHE  18   2.096  -7.184  -0.988
  157    H    VAL  19           HN       VAL  19  -5.050  -5.044   2.364
  158    HA   VAL  19           HA       VAL  19  -5.561  -2.418   3.280
  159    HB   VAL  19           HB       VAL  19  -7.833  -3.436   3.901
  160   1HG1  VAL  19          2HG1      VAL  19  -7.416  -2.128   1.884
  161   2HG1  VAL  19          1HG1      VAL  19  -6.850  -3.581   1.060
  162   3HG1  VAL  19          3HG1      VAL  19  -8.535  -3.453   1.564
  163   1HG2  VAL  19          3HG2      VAL  19  -6.649  -5.748   2.377
  164   2HG2  VAL  19          2HG2      VAL  19  -7.123  -5.756   4.076
  165   3HG2  VAL  19          1HG2      VAL  19  -8.347  -5.576   2.818
  166    H    GLY  20           HN       GLY  20  -5.600  -5.546   5.004
  167   1HA   GLY  20           HA1      GLY  20  -5.274  -6.009   7.230
  168   2HA   GLY  20           HA2      GLY  20  -5.985  -4.435   7.566
  169    H    ARG  21           HN       ARG  21  -3.315  -4.358   5.496
  170    HA   ARG  21           HA       ARG  21  -1.397  -3.773   7.589
  171   1HB   ARG  21           HB2      ARG  21  -0.206  -4.788   5.940
  172   2HB   ARG  21           HB1      ARG  21  -1.332  -4.306   4.683
  173   1HG   ARG  21           HG2      ARG  21   0.530  -3.133   4.064
  174   2HG   ARG  21           HG1      ARG  21  -0.281  -1.939   5.072
  175   1HD   ARG  21           HD2      ARG  21   2.059  -3.682   5.788
  176   2HD   ARG  21           HD1      ARG  21   2.014  -1.938   5.659
  177    HE   ARG  21           HE       ARG  21   0.376  -2.102   7.619
  178   1HH1  ARG  21          1HH1      ARG  21   3.051  -4.303   7.095
  179   2HH1  ARG  21          2HH1      ARG  21   3.251  -4.664   8.779
  180   1HH2  ARG  21          1HH2      ARG  21   0.645  -2.583   9.847
  181   2HH2  ARG  21          2HH2      ARG  21   1.898  -3.677  10.349
  182    H    ILE  22           HN       ILE  22  -3.117  -2.098   4.985
  183    HA   ILE  22           HA       ILE  22  -1.776   0.394   5.511
  184    HB   ILE  22           HB       ILE  22  -4.011  -0.368   3.638
  185   1HG1  ILE  22          2HG1      ILE  22  -1.941  -1.261   2.889
  186   2HG1  ILE  22          1HG1      ILE  22  -2.233   0.178   1.918
  187   1HG2  ILE  22          3HG2      ILE  22  -2.679   2.317   3.906
  188   2HG2  ILE  22          2HG2      ILE  22  -3.787   1.838   2.621
  189   3HG2  ILE  22          1HG2      ILE  22  -4.358   1.928   4.287
  190   1HD1  ILE  22          1HD1      ILE  22  -0.715   1.414   3.474
  191   2HD1  ILE  22          3HD1      ILE  22  -0.307  -0.137   4.202
  192   3HD1  ILE  22          2HD1      ILE  22   0.057   0.164   2.504
  193    H    LEU  23           HN       LEU  23  -5.198  -0.673   5.714
  194    HA   LEU  23           HA       LEU  23  -5.579   1.592   7.506
  195   1HB   LEU  23           HB2      LEU  23  -8.058   1.204   7.198
  196   2HB   LEU  23           HB1      LEU  23  -7.169   1.886   5.863
  197    HG   LEU  23           HG       LEU  23  -8.918   0.313   5.162
  198   1HD1  LEU  23          1HD1      LEU  23  -6.993   0.668   3.734
  199   2HD1  LEU  23          3HD1      LEU  23  -6.141  -0.652   4.535
  200   3HD1  LEU  23          2HD1      LEU  23  -7.599  -0.982   3.597
  201   1HD2  LEU  23          1HD2      LEU  23  -8.873  -1.217   7.042
  202   2HD2  LEU  23          3HD2      LEU  23  -8.664  -2.079   5.517
  203   3HD2  LEU  23          2HD2      LEU  23  -7.271  -1.781   6.558
  204    H    GLY  24           HN       GLY  24  -5.164  -1.734   7.581
  205   1HA   GLY  24           HA1      GLY  24  -5.179  -3.202   9.334
  206   2HA   GLY  24           HA2      GLY  24  -6.837  -2.666   9.559
  207    HA   PRO  25           HA       PRO  25  -4.364  -0.960  13.127
  208   1HB   PRO  25           HB2      PRO  25  -1.598  -1.026  12.968
  209   2HB   PRO  25           HB1      PRO  25  -2.612  -2.352  13.541
  210   1HG   PRO  25           HG2      PRO  25  -1.018  -2.263  11.173
  211   2HG   PRO  25           HG1      PRO  25  -2.078  -3.571  11.719
  212   1HD   PRO  25           HD2      PRO  25  -2.577  -1.449   9.715
  213   2HD   PRO  25           HD1      PRO  25  -3.310  -3.060   9.861
  214    H    ARG  26           HN       ARG  26  -3.414   0.220  10.070
  215    HA   ARG  26           HA       ARG  26  -2.366   2.712  11.238
  216   1HB   ARG  26           HB2      ARG  26  -1.790   1.616   8.480
  217   2HB   ARG  26           HB1      ARG  26  -1.044   3.014   9.235
  218   1HG   ARG  26           HG2      ARG  26  -0.710   0.129  10.025
  219   2HG   ARG  26           HG1      ARG  26   0.496   1.186   9.288
  220   1HD   ARG  26           HD2      ARG  26  -0.702   1.415  12.041
  221   2HD   ARG  26           HD1      ARG  26   0.958   0.985  11.634
  222    HE   ARG  26           HE       ARG  26   0.438   3.506  10.540
  223   1HH1  ARG  26          1HH1      ARG  26   0.762   1.970  13.674
  224   2HH1  ARG  26          2HH1      ARG  26   1.247   3.431  14.476
  225   1HH2  ARG  26          1HH2      ARG  26   1.065   5.437  11.610
  226   2HH2  ARG  26          2HH2      ARG  26   1.399   5.400  13.320
  227    H    GLY  27           HN       GLY  27  -5.208   1.794  10.320
  228   1HA   GLY  27           HA1      GLY  27  -7.045   2.872   9.458
  229   2HA   GLY  27           HA2      GLY  27  -6.039   3.059   8.028
  230    H    LEU  28           HN       LEU  28  -5.243   4.536  11.064
  231    HA   LEU  28           HA       LEU  28  -6.487   6.998  10.834
  232   1HB   LEU  28           HB2      LEU  28  -3.782   6.361  12.014
  233   2HB   LEU  28           HB1      LEU  28  -4.658   7.857  12.271
  234    HG   LEU  28           HG       LEU  28  -5.581   5.117  13.143
  235   1HD1  LEU  28          3HD1      LEU  28  -3.683   5.926  14.440
  236   2HD1  LEU  28          2HD1      LEU  28  -4.523   7.449  14.738
  237   3HD1  LEU  28          1HD1      LEU  28  -5.161   5.943  15.402
  238   1HD2  LEU  28          3HD2      LEU  28  -6.787   7.845  13.604
  239   2HD2  LEU  28          2HD2      LEU  28  -7.452   6.568  12.584
  240   3HD2  LEU  28          1HD2      LEU  28  -7.344   6.336  14.328
  241    H    THR  29           HN       THR  29  -3.519   5.837   9.292
  242    HA   THR  29           HA       THR  29  -2.579   8.392   8.505
  243    HB   THR  29           HB       THR  29  -1.172   6.292   8.614
  244    HG1  THR  29           HG1      THR  29  -1.030   7.737   6.155
  245   1HG2  THR  29          2HG2      THR  29  -2.416   5.792   5.902
  246   2HG2  THR  29          1HG2      THR  29  -1.027   4.933   6.568
  247   3HG2  THR  29          3HG2      THR  29  -2.606   4.783   7.338
  248    H    ALA  30           HN       ALA  30  -4.763   6.090   6.995
  249    HA   ALA  30           HA       ALA  30  -4.842   7.358   4.452
  250   1HB   ALA  30           HB2      ALA  30  -5.612   5.058   4.771
  251   2HB   ALA  30           HB3      ALA  30  -6.894   6.063   4.094
  252   3HB   ALA  30           HB1      ALA  30  -6.920   5.631   5.806
  253    H    LYS  31           HN       LYS  31  -6.753   7.604   7.392
  254    HA   LYS  31           HA       LYS  31  -8.618   9.484   6.394
  255   1HB   LYS  31           HB2      LYS  31  -8.937   7.997   8.397
  256   2HB   LYS  31           HB1      LYS  31  -7.813   9.035   9.269
  257   1HG   LYS  31           HG2      LYS  31  -9.300  10.872   9.183
  258   2HG   LYS  31           HG1      LYS  31 -10.345  10.061   8.014
  259   1HD   LYS  31           HD2      LYS  31 -11.404   9.937  10.150
  260   2HD   LYS  31           HD1      LYS  31 -10.808   8.325   9.751
  261   1HE   LYS  31           HE2      LYS  31 -10.232   8.624  11.997
  262   2HE   LYS  31           HE1      LYS  31  -8.740   8.952  11.115
  263   1HZ   LYS  31           HZ3      LYS  31  -9.243  11.340  11.293
  264   2HZ   LYS  31           HZ2      LYS  31 -10.623  10.975  12.208
  265   3HZ   LYS  31           HZ1      LYS  31  -9.086  10.607  12.815
  266    H    GLN  32           HN       GLN  32  -5.495   9.792   8.017
  267    HA   GLN  32           HA       GLN  32  -5.620  12.594   8.434
  268   1HB   GLN  32           HB2      GLN  32  -3.202  10.818   8.027
  269   2HB   GLN  32           HB1      GLN  32  -3.143  12.490   8.576
  270   1HG   GLN  32           HG2      GLN  32  -4.279  10.115  10.012
  271   2HG   GLN  32           HG1      GLN  32  -2.937  11.150  10.500
  272   1HE2  GLN  32          1HE2      GLN  32  -6.374  10.862  10.209
  273   2HE2  GLN  32          2HE2      GLN  32  -6.789  12.197  11.228
  274    H    LEU  33           HN       LEU  33  -4.699  10.596   5.746
  275    HA   LEU  33           HA       LEU  33  -3.374  12.584   4.233
  276   1HB   LEU  33           HB2      LEU  33  -3.526   9.936   4.083
  277   2HB   LEU  33           HB1      LEU  33  -4.820  10.299   2.960
  278    HG   LEU  33           HG       LEU  33  -2.130  11.551   2.574
  279   1HD1  LEU  33          1HD1      LEU  33  -1.762   9.133   2.916
  280   2HD1  LEU  33          3HD1      LEU  33  -2.918   8.797   1.624
  281   3HD1  LEU  33          2HD1      LEU  33  -1.413   9.644   1.263
  282   1HD2  LEU  33          2HD2      LEU  33  -4.313  10.656   0.698
  283   2HD2  LEU  33          1HD2      LEU  33  -4.006  12.313   1.215
  284   3HD2  LEU  33          3HD2      LEU  33  -2.815  11.461   0.231
  285    H    GLU  34           HN       GLU  34  -6.735  11.391   4.200
  286    HA   GLU  34           HA       GLU  34  -7.487  13.218   2.136
  287   1HB   GLU  34           HB2      GLU  34  -9.845  12.612   2.848
  288   2HB   GLU  34           HB1      GLU  34  -8.824  11.305   2.268
  289   1HG   GLU  34           HG2      GLU  34  -8.349  10.721   4.647
  290   2HG   GLU  34           HG1      GLU  34  -9.529  11.940   5.126
  291    H    ALA  35           HN       ALA  35  -7.650  13.250   5.636
  292    HA   ALA  35           HA       ALA  35  -9.199  15.589   5.880
  293   1HB   ALA  35           HB3      ALA  35  -8.468  15.629   8.200
  294   2HB   ALA  35           HB1      ALA  35  -7.205  14.453   7.835
  295   3HB   ALA  35           HB2      ALA  35  -8.902  13.993   7.706
  296    H    GLU  36           HN       GLU  36  -5.685  15.098   5.751
  297    HA   GLU  36           HA       GLU  36  -5.258  17.947   6.170
  298   1HB   GLU  36           HB2      GLU  36  -3.363  15.614   6.041
  299   2HB   GLU  36           HB1      GLU  36  -2.827  17.282   6.188
  300   1HG   GLU  36           HG2      GLU  36  -4.700  15.962   8.134
  301   2HG   GLU  36           HG1      GLU  36  -2.949  16.002   8.334
  302    H    THR  37           HN       THR  37  -4.507  15.507   3.648
  303    HA   THR  37           HA       THR  37  -3.176  17.526   2.095
  304    HB   THR  37           HB       THR  37  -2.600  15.886   0.517
  305    HG1  THR  37           HG1      THR  37  -4.442  14.039   1.642
  306   1HG2  THR  37          3HG2      THR  37  -1.480  15.570   2.664
  307   2HG2  THR  37          2HG2      THR  37  -2.770  14.487   3.186
  308   3HG2  THR  37          1HG2      THR  37  -1.721  14.026   1.846
  309    H    GLY  38           HN       GLY  38  -6.362  16.257   2.333
  310   1HA   GLY  38           HA1      GLY  38  -7.253  17.892   0.085
  311   2HA   GLY  38           HA2      GLY  38  -8.290  17.069   1.247
  312    H    CYS  39           HN       CYS  39  -5.927  14.975   0.313
  313    HA   CYS  39           HA       CYS  39  -7.384  13.963  -2.002
  314   1HB   CYS  39           HB2      CYS  39  -4.958  14.146  -2.207
  315   2HB   CYS  39           HB1      CYS  39  -4.748  13.112  -0.799
  316    HG   CYS  39           HG       CYS  39  -6.609  11.689  -3.160
  317    H    LYS  40           HN       LYS  40  -8.866  12.519  -1.746
  318    HA   LYS  40           HA       LYS  40  -9.002  10.958   0.684
  319   1HB   LYS  40           HB2      LYS  40 -10.953  11.997  -0.744
  320   2HB   LYS  40           HB1      LYS  40 -10.749  10.562  -1.734
  321   1HG   LYS  40           HG2      LYS  40 -11.402  10.576   1.204
  322   2HG   LYS  40           HG1      LYS  40 -12.555  10.335  -0.106
  323   1HD   LYS  40           HD2      LYS  40 -11.282   8.325  -0.796
  324   2HD   LYS  40           HD1      LYS  40 -10.228   8.552   0.603
  325   1HE   LYS  40           HE2      LYS  40 -13.179   7.951   0.598
  326   2HE   LYS  40           HE1      LYS  40 -11.873   6.928   1.193
  327   1HZ   LYS  40           HZ2      LYS  40 -11.402   8.664   2.875
  328   2HZ   LYS  40           HZ1      LYS  40 -12.773   9.509   2.353
  329   3HZ   LYS  40           HZ3      LYS  40 -12.942   7.973   3.048
  330    H    ILE  41           HN       ILE  41  -7.147   9.663   0.549
  331    HA   ILE  41           HA       ILE  41  -6.690   8.043  -1.773
  332    HB   ILE  41           HB       ILE  41  -4.777   8.693  -0.459
  333   1HG1  ILE  41          2HG1      ILE  41  -5.275   5.733  -0.094
  334   2HG1  ILE  41          1HG1      ILE  41  -4.668   6.499  -1.562
  335   1HG2  ILE  41          3HG2      ILE  41  -5.885   8.918   1.721
  336   2HG2  ILE  41          2HG2      ILE  41  -6.015   7.160   1.837
  337   3HG2  ILE  41          1HG2      ILE  41  -4.428   7.931   1.847
  338   1HD1  ILE  41          1HD1      ILE  41  -2.690   7.260  -0.347
  339   2HD1  ILE  41          3HD1      ILE  41  -3.294   6.487   1.120
  340   3HD1  ILE  41          2HD1      ILE  41  -2.858   5.503  -0.280
  341    H    MET  42           HN       MET  42  -7.790   6.302  -2.263
  342    HA   MET  42           HA       MET  42  -9.191   4.888  -0.102
  343   1HB   MET  42           HB2      MET  42 -10.867   4.253  -1.861
  344   2HB   MET  42           HB1      MET  42 -10.844   5.962  -1.448
  345   1HG   MET  42           HG2      MET  42  -9.698   6.512  -3.455
  346   2HG   MET  42           HG1      MET  42  -9.403   4.815  -3.828
  347   1HE   MET  42           HE3      MET  42 -10.836   7.321  -5.564
  348   2HE   MET  42           HE2      MET  42 -10.356   5.791  -6.297
  349   3HE   MET  42           HE1      MET  42 -12.006   6.379  -6.490
  350    H    VAL  43           HN       VAL  43  -8.779   2.811   0.111
  351    HA   VAL  43           HA       VAL  43  -7.086   1.437  -1.727
  352    HB   VAL  43           HB       VAL  43  -7.762  -0.627  -0.354
  353   1HG1  VAL  43          3HG1      VAL  43  -6.384   1.716   0.963
  354   2HG1  VAL  43          2HG1      VAL  43  -6.282   0.039   1.510
  355   3HG1  VAL  43          1HG1      VAL  43  -5.638   0.492  -0.068
  356   1HG2  VAL  43          2HG2      VAL  43  -9.843   0.439   0.559
  357   2HG2  VAL  43          1HG2      VAL  43  -8.786  -0.283   1.773
  358   3HG2  VAL  43          3HG2      VAL  43  -8.804   1.464   1.551
  359    H    ARG  44           HN       ARG  44  -7.640  -0.158  -3.142
  360    HA   ARG  44           HA       ARG  44 -10.458  -0.277  -3.925
  361   1HB   ARG  44           HB2      ARG  44  -8.102   0.400  -5.683
  362   2HB   ARG  44           HB1      ARG  44  -9.623  -0.189  -6.330
  363   1HG   ARG  44           HG2      ARG  44 -10.664   1.810  -5.047
  364   2HG   ARG  44           HG1      ARG  44  -9.014   2.431  -5.032
  365   1HD   ARG  44           HD2      ARG  44  -8.960   2.722  -7.286
  366   2HD   ARG  44           HD1      ARG  44 -10.092   1.400  -7.589
  367    HE   ARG  44           HE       ARG  44 -10.992   3.971  -6.471
  368   1HH1  ARG  44          1HH1      ARG  44 -11.222   1.355  -8.784
  369   2HH1  ARG  44          2HH1      ARG  44 -12.637   2.001  -9.577
  370   1HH2  ARG  44          1HH2      ARG  44 -12.855   4.845  -7.537
  371   2HH2  ARG  44          2HH2      ARG  44 -13.542   3.991  -8.885
  372    H    GLY  45           HN       GLY  45 -10.843  -2.115  -5.472
  373   1HA   GLY  45           HA1      GLY  45  -8.945  -4.293  -5.277
  374   2HA   GLY  45           HA2      GLY  45 -10.544  -4.354  -6.015
  375    H    LYS  46           HN       LYS  46 -10.019  -6.481  -4.553
  376    HA   LYS  46           HA       LYS  46 -11.835  -6.329  -2.382
  377   1HB   LYS  46           HB2      LYS  46 -11.425  -8.626  -1.992
  378   2HB   LYS  46           HB1      LYS  46 -11.271  -8.431  -3.728
  379   1HG   LYS  46           HG2      LYS  46  -8.876  -8.405  -1.923
  380   2HG   LYS  46           HG1      LYS  46  -9.574  -9.905  -2.527
  381   1HD   LYS  46           HD2      LYS  46  -8.476  -7.640  -4.191
  382   2HD   LYS  46           HD1      LYS  46  -7.714  -9.206  -3.922
  383   1HE   LYS  46           HE2      LYS  46  -9.899 -10.171  -4.922
  384   2HE   LYS  46           HE1      LYS  46 -10.143  -8.539  -5.544
  385   1HZ   LYS  46           HZ2      LYS  46  -7.694  -8.875  -6.366
  386   2HZ   LYS  46           HZ1      LYS  46  -8.099 -10.517  -6.252
  387   3HZ   LYS  46           HZ3      LYS  46  -9.004  -9.491  -7.260
  388    H    GLY  47           HN       GLY  47 -11.442  -6.604  -0.184
  389   1HA   GLY  47           HA1      GLY  47  -8.951  -5.229   0.594
  390   2HA   GLY  47           HA2      GLY  47  -9.986  -6.139   1.703
  391    H    SER  48           HN       SER  48 -11.303  -4.225  -0.823
  392    HA   SER  48           HA       SER  48 -12.128  -2.068   0.880
  393   1HB   SER  48           HB2      SER  48 -13.131  -2.875  -1.858
  394   2HB   SER  48           HB1      SER  48 -13.401  -1.324  -1.059
  395    HG   SER  48           HG       SER  48 -11.036  -2.390  -2.151
  396    H    MET  49           HN       MET  49 -12.803  -5.121   0.999
  397    HA   MET  49           HA       MET  49 -15.722  -5.056   1.168
  398   1HB   MET  49           HB2      MET  49 -15.733  -7.392   0.483
  399   2HB   MET  49           HB1      MET  49 -14.895  -6.425  -0.720
  400   1HG   MET  49           HG2      MET  49 -12.744  -7.152   0.225
  401   2HG   MET  49           HG1      MET  49 -13.614  -8.162   1.379
  402   1HE   MET  49           HE2      MET  49 -16.043  -9.153  -0.470
  403   2HE   MET  49           HE1      MET  49 -15.416 -10.691  -1.061
  404   3HE   MET  49           HE3      MET  49 -15.180 -10.232   0.626
  405    H    ARG  50           HN       ARG  50 -13.866  -4.416   3.144
  406    HA   ARG  50           HA       ARG  50 -13.479  -6.742   4.831
  407   1HB   ARG  50           HB2      ARG  50 -11.840  -5.409   5.980
  408   2HB   ARG  50           HB1      ARG  50 -11.580  -5.273   4.249
  409   1HG   ARG  50           HG2      ARG  50 -12.748  -3.219   6.111
  410   2HG   ARG  50           HG1      ARG  50 -11.257  -3.121   5.180
  411   1HD   ARG  50           HD2      ARG  50 -12.618  -3.116   3.068
  412   2HD   ARG  50           HD1      ARG  50 -14.065  -3.147   4.079
  413    HE   ARG  50           HE       ARG  50 -13.642  -0.964   4.839
  414   1HH1  ARG  50          1HH1      ARG  50 -11.247  -2.020   2.504
  415   2HH1  ARG  50          2HH1      ARG  50 -10.768  -0.407   2.080
  416   1HH2  ARG  50          1HH2      ARG  50 -13.003   1.155   4.308
  417   2HH2  ARG  50          2HH2      ARG  50 -11.767   1.408   3.115
  418    H    ASP  51           HN       ASP  51 -15.667  -4.075   4.652
  419    HA   ASP  51           HA       ASP  51 -15.854  -3.916   7.564
  420   1HB   ASP  51           HB2      ASP  51 -16.518  -2.076   5.302
  421   2HB   ASP  51           HB1      ASP  51 -17.349  -1.882   6.851
  422    H    LYS  52           HN       LYS  52 -17.239  -5.418   8.263
  423    HA   LYS  52           HA       LYS  52 -19.251  -6.593   6.720
  424   1HB   LYS  52           HB2      LYS  52 -18.234  -7.433   8.923
  425   2HB   LYS  52           HB1      LYS  52 -19.396  -6.382   9.721
  426   1HG   LYS  52           HG2      LYS  52 -21.228  -7.572   8.623
  427   2HG   LYS  52           HG1      LYS  52 -20.060  -8.636   7.836
  428   1HD   LYS  52           HD2      LYS  52 -20.829  -9.842   9.702
  429   2HD   LYS  52           HD1      LYS  52 -19.252  -9.215  10.180
  430   1HE   LYS  52           HE2      LYS  52 -20.762  -8.889  12.006
  431   2HE   LYS  52           HE1      LYS  52 -20.421  -7.313  11.289
  432   1HZ   LYS  52           HZ1      LYS  52 -22.839  -8.944  10.719
  433   2HZ   LYS  52           HZ3      LYS  52 -22.784  -7.633  11.791
  434   3HZ   LYS  52           HZ2      LYS  52 -22.523  -7.379  10.139
  435    H    LYS  53           HN       LYS  53 -19.321  -3.856   8.929
  436    HA   LYS  53           HA       LYS  53 -22.084  -3.397   8.788
  437   1HB   LYS  53           HB2      LYS  53 -21.604  -1.137   9.547
  438   2HB   LYS  53           HB1      LYS  53 -20.679  -2.314  10.462
  439   1HG   LYS  53           HG2      LYS  53 -18.697  -1.781   9.115
  440   2HG   LYS  53           HG1      LYS  53 -19.640  -0.572   8.238
  441   1HD   LYS  53           HD2      LYS  53 -20.038   0.626  10.342
  442   2HD   LYS  53           HD1      LYS  53 -19.074  -0.574  11.203
  443   1HE   LYS  53           HE2      LYS  53 -17.121   0.043   9.845
  444   2HE   LYS  53           HE1      LYS  53 -18.090   1.264   9.021
  445   1HZ   LYS  53           HZ1      LYS  53 -18.440   2.343  11.189
  446   2HZ   LYS  53           HZ3      LYS  53 -17.406   1.210  11.913
  447   3HZ   LYS  53           HZ2      LYS  53 -16.800   2.288  10.755
  448    H    LYS  54           HN       LYS  54 -19.408  -2.230   6.733
  449    HA   LYS  54           HA       LYS  54 -21.013  -0.503   5.222
  450   1HB   LYS  54           HB2      LYS  54 -18.291  -1.390   5.072
  451   2HB   LYS  54           HB1      LYS  54 -19.010  -1.265   3.484
  452   1HG   LYS  54           HG2      LYS  54 -18.427   0.866   3.574
  453   2HG   LYS  54           HG1      LYS  54 -19.826   1.054   4.629
  454   1HD   LYS  54           HD2      LYS  54 -18.460   0.893   6.586
  455   2HD   LYS  54           HD1      LYS  54 -17.050   0.427   5.628
  456   1HE   LYS  54           HE2      LYS  54 -17.055   2.611   4.542
  457   2HE   LYS  54           HE1      LYS  54 -18.481   3.079   5.463
  458   1HZ   LYS  54           HZ3      LYS  54 -15.916   2.321   6.745
  459   2HZ   LYS  54           HZ2      LYS  54 -16.301   3.916   6.330
  460   3HZ   LYS  54           HZ1      LYS  54 -17.249   3.081   7.463
  461    H    GLU  55           HN       GLU  55 -20.073  -3.863   4.691
  462    HA   GLU  55           HA       GLU  55 -21.330  -4.050   2.154
  463   1HB   GLU  55           HB2      GLU  55 -21.126  -6.546   2.558
  464   2HB   GLU  55           HB1      GLU  55 -19.626  -5.629   2.603
  465   1HG   GLU  55           HG2      GLU  55 -19.780  -5.598   5.066
  466   2HG   GLU  55           HG1      GLU  55 -21.203  -6.622   4.943
  467    H    GLU  56           HN       GLU  56 -22.557  -4.196   5.363
  468    HA   GLU  56           HA       GLU  56 -24.986  -5.532   4.562
  469   1HB   GLU  56           HB2      GLU  56 -24.171  -4.179   7.127
  470   2HB   GLU  56           HB1      GLU  56 -25.768  -4.872   6.875
  471   1HG   GLU  56           HG2      GLU  56 -24.727  -7.057   6.456
  472   2HG   GLU  56           HG1      GLU  56 -23.148  -6.346   6.788
  473    H    GLN  57           HN       GLN  57 -24.154  -2.203   5.592
  474    HA   GLN  57           HA       GLN  57 -26.847  -1.440   4.716
  475   1HB   GLN  57           HB2      GLN  57 -26.418   0.602   6.196
  476   2HB   GLN  57           HB1      GLN  57 -26.679  -0.953   6.967
  477   1HG   GLN  57           HG2      GLN  57 -24.925  -0.038   8.158
  478   2HG   GLN  57           HG1      GLN  57 -24.146  -1.157   7.046
  479   1HE2  GLN  57          1HE2      GLN  57 -22.204  -0.228   6.933
  480   2HE2  GLN  57          2HE2      GLN  57 -21.908   1.373   6.317
  481    H    ASN  58           HN       ASN  58 -23.486  -0.722   4.115
  482    HA   ASN  58           HA       ASN  58 -24.307   1.536   2.397
  483   1HB   ASN  58           HB2      ASN  58 -22.660   1.813   4.447
  484   2HB   ASN  58           HB1      ASN  58 -21.476   1.185   3.306
  485   1HD2  ASN  58          1HD2      ASN  58 -24.193   3.157   2.336
  486   2HD2  ASN  58          2HD2      ASN  58 -23.264   4.550   1.891
  487    H    ARG  59           HN       ARG  59 -24.049  -1.433   2.004
  488    HA   ARG  59           HA       ARG  59 -22.050  -2.160   0.256
  489   1HB   ARG  59           HB2      ARG  59 -23.670  -3.869  -0.562
  490   2HB   ARG  59           HB1      ARG  59 -23.574  -3.778   1.193
  491   1HG   ARG  59           HG2      ARG  59 -25.605  -2.214   1.011
  492   2HG   ARG  59           HG1      ARG  59 -25.769  -2.860  -0.622
  493   1HD   ARG  59           HD2      ARG  59 -25.619  -4.562   1.857
  494   2HD   ARG  59           HD1      ARG  59 -27.130  -4.022   1.135
  495    HE   ARG  59           HE       ARG  59 -26.081  -5.243  -0.945
  496   1HH1  ARG  59          1HH1      ARG  59 -25.864  -6.258   2.395
  497   2HH1  ARG  59          2HH1      ARG  59 -26.023  -7.947   2.042
  498   1HH2  ARG  59          1HH2      ARG  59 -26.303  -7.476  -1.433
  499   2HH2  ARG  59          2HH2      ARG  59 -26.263  -8.647  -0.148
  500    H    GLY  60           HN       GLY  60 -22.190  -2.553  -2.087
  501   1HA   GLY  60           HA1      GLY  60 -24.039  -0.993  -3.663
  502   2HA   GLY  60           HA2      GLY  60 -22.699  -1.961  -4.271
  503    H    LYS  61           HN       LYS  61 -21.863   0.242  -1.827
  504    HA   LYS  61           HA       LYS  61 -21.380   2.524  -3.477
  505   1HB   LYS  61           HB2      LYS  61 -20.757   3.605  -1.562
  506   2HB   LYS  61           HB1      LYS  61 -21.677   2.285  -0.847
  507   1HG   LYS  61           HG2      LYS  61 -19.697   1.094  -0.302
  508   2HG   LYS  61           HG1      LYS  61 -18.703   2.191  -1.261
  509   1HD   LYS  61           HD2      LYS  61 -20.186   2.838   1.273
  510   2HD   LYS  61           HD1      LYS  61 -18.441   2.691   1.069
  511   1HE   LYS  61           HE2      LYS  61 -18.393   4.633  -0.354
  512   2HE   LYS  61           HE1      LYS  61 -20.153   4.731  -0.343
  513   1HZ   LYS  61           HZ1      LYS  61 -20.065   5.158   2.042
  514   2HZ   LYS  61           HZ3      LYS  61 -18.372   5.110   2.006
  515   3HZ   LYS  61           HZ2      LYS  61 -19.204   6.334   1.178
  516    HA   PRO  62           HA       PRO  62 -17.249   2.889  -5.184
  517   1HB   PRO  62           HB2      PRO  62 -16.833   3.580  -2.287
  518   2HB   PRO  62           HB1      PRO  62 -15.899   4.161  -3.657
  519   1HG   PRO  62           HG2      PRO  62 -17.982   5.561  -2.786
  520   2HG   PRO  62           HG1      PRO  62 -17.729   5.368  -4.534
  521   1HD   PRO  62           HD2      PRO  62 -19.861   4.257  -2.869
  522   2HD   PRO  62           HD1      PRO  62 -19.712   4.249  -4.642
  523    H    ASN  63           HN       ASN  63 -17.228   1.286  -1.975
  524    HA   ASN  63           HA       ASN  63 -14.613   0.183  -2.476
  525   1HB   ASN  63           HB2      ASN  63 -16.068  -1.181  -0.404
  526   2HB   ASN  63           HB1      ASN  63 -14.603  -0.223  -0.274
  527   1HD2  ASN  63          1HD2      ASN  63 -17.183  -0.602   1.206
  528   2HD2  ASN  63          2HD2      ASN  63 -17.775   1.011   1.458
  529    H    TRP  64           HN       TRP  64 -17.887  -0.788  -2.644
  530    HA   TRP  64           HA       TRP  64 -17.314  -3.541  -3.307
  531   1HB   TRP  64           HB2      TRP  64 -19.971  -2.155  -3.443
  532   2HB   TRP  64           HB1      TRP  64 -19.646  -3.853  -3.091
  533    HD1  TRP  64           HD1      TRP  64 -20.404  -0.667  -1.401
  534    HE1  TRP  64           HE1      TRP  64 -19.992  -0.830   1.127
  535    HE3  TRP  64           HE3      TRP  64 -17.816  -5.047  -1.311
  536    HZ2  TRP  64           HZ2      TRP  64 -18.684  -2.601   2.916
  537    HZ3  TRP  64           HZ3      TRP  64 -16.998  -5.877   0.852
  538    HH2  TRP  64           HH2      TRP  64 -17.442  -4.691   2.912
  539    H    GLU  65           HN       GLU  65 -18.037  -0.488  -4.684
  540    HA   GLU  65           HA       GLU  65 -18.531  -1.120  -7.343
  541   1HB   GLU  65           HB2      GLU  65 -18.769   1.129  -6.762
  542   2HB   GLU  65           HB1      GLU  65 -17.211   1.178  -5.946
  543   1HG   GLU  65           HG2      GLU  65 -16.077   1.015  -8.104
  544   2HG   GLU  65           HG1      GLU  65 -17.636   0.977  -8.924
  545    H    HIS  66           HN       HIS  66 -15.433  -0.307  -5.807
  546    HA   HIS  66           HA       HIS  66 -14.015  -1.458  -8.056
  547   1HB   HIS  66           HB2      HIS  66 -11.953  -0.609  -6.933
  548   2HB   HIS  66           HB1      HIS  66 -13.117   0.630  -7.393
  549    HD1  HIS  66           HD1      HIS  66 -13.110   2.405  -5.697
  550    HD2  HIS  66           HD2      HIS  66 -12.613  -1.347  -4.007
  551    HE1  HIS  66           HE1      HIS  66 -12.831   2.815  -3.231
  552    HE2  HIS  66           HE2      HIS  66 -12.236   0.552  -2.293
  553    H    LEU  67           HN       LEU  67 -15.339  -2.755  -5.404
  554    HA   LEU  67           HA       LEU  67 -13.445  -4.509  -4.344
  555   1HB   LEU  67           HB2      LEU  67 -15.751  -4.299  -3.503
  556   2HB   LEU  67           HB1      LEU  67 -16.363  -5.006  -4.980
  557    HG   LEU  67           HG       LEU  67 -14.547  -6.573  -3.157
  558   1HD1  LEU  67          2HD1      LEU  67 -17.545  -6.315  -3.002
  559   2HD1  LEU  67          1HD1      LEU  67 -16.576  -7.501  -2.129
  560   3HD1  LEU  67          3HD1      LEU  67 -16.388  -5.780  -1.785
  561   1HD2  LEU  67          1HD2      LEU  67 -16.697  -7.375  -5.119
  562   2HD2  LEU  67          3HD2      LEU  67 -14.959  -7.499  -5.383
  563   3HD2  LEU  67          2HD2      LEU  67 -15.734  -8.481  -4.140
  564    H    ASN  68           HN       ASN  68 -14.798  -4.244  -7.412
  565    HA   ASN  68           HA       ASN  68 -14.408  -7.009  -8.196
  566   1HB   ASN  68           HB2      ASN  68 -15.313  -4.646  -9.870
  567   2HB   ASN  68           HB1      ASN  68 -15.533  -6.361 -10.238
  568   1HD2  ASN  68          1HD2      ASN  68 -16.582  -3.686  -8.265
  569   2HD2  ASN  68          2HD2      ASN  68 -17.989  -4.435  -7.581
  570    H    GLU  69           HN       GLU  69 -12.387  -4.613  -7.684
  571    HA   GLU  69           HA       GLU  69 -10.626  -5.147  -9.977
  572   1HB   GLU  69           HB2      GLU  69 -10.362  -3.130  -7.733
  573   2HB   GLU  69           HB1      GLU  69  -9.281  -3.275  -9.113
  574   1HG   GLU  69           HG2      GLU  69 -11.224  -2.713 -10.584
  575   2HG   GLU  69           HG1      GLU  69 -12.157  -2.383  -9.123
  576    H    ASP  70           HN       ASP  70  -8.179  -5.008  -9.058
  577    HA   ASP  70           HA       ASP  70  -8.003  -6.911  -6.827
  578   1HB   ASP  70           HB2      ASP  70  -6.818  -7.479  -8.958
  579   2HB   ASP  70           HB1      ASP  70  -5.767  -6.102  -8.687
  580    H    LEU  71           HN       LEU  71  -6.639  -6.480  -5.079
  581    HA   LEU  71           HA       LEU  71  -7.119  -3.964  -4.046
  582   1HB   LEU  71           HB2      LEU  71  -6.727  -6.003  -2.717
  583   2HB   LEU  71           HB1      LEU  71  -5.026  -5.929  -3.134
  584    HG   LEU  71           HG       LEU  71  -4.695  -3.948  -1.860
  585   1HD1  LEU  71          1HD1      LEU  71  -6.762  -2.820  -2.547
  586   2HD1  LEU  71          3HD1      LEU  71  -7.682  -3.871  -1.471
  587   3HD1  LEU  71          2HD1      LEU  71  -6.508  -2.735  -0.802
  588   1HD2  LEU  71          2HD2      LEU  71  -4.806  -6.012  -0.551
  589   2HD2  LEU  71          1HD2      LEU  71  -5.405  -4.633   0.374
  590   3HD2  LEU  71          3HD2      LEU  71  -6.542  -5.782  -0.334
  591    H    HIS  72           HN       HIS  72  -6.308  -2.112  -4.517
  592    HA   HIS  72           HA       HIS  72  -3.428  -1.789  -4.492
  593   1HB   HIS  72           HB2      HIS  72  -3.439  -0.312  -6.472
  594   2HB   HIS  72           HB1      HIS  72  -3.846  -1.972  -6.870
  595    HD1  HIS  72           HD1      HIS  72  -6.290  -2.468  -7.598
  596    HD2  HIS  72           HD2      HIS  72  -5.443   1.571  -7.013
  597    HE1  HIS  72           HE1      HIS  72  -8.128  -1.217  -8.762
  598    HE2  HIS  72           HE2      HIS  72  -7.479   1.205  -8.599
  599    H    VAL  73           HN       VAL  73  -2.889   0.611  -4.331
  600    HA   VAL  73           HA       VAL  73  -4.991   1.846  -2.679
  601    HB   VAL  73           HB       VAL  73  -3.202   3.219  -1.654
  602   1HG1  VAL  73          2HG1      VAL  73  -2.829   0.233  -1.450
  603   2HG1  VAL  73          1HG1      VAL  73  -2.222   1.413  -0.289
  604   3HG1  VAL  73          3HG1      VAL  73  -3.958   1.220  -0.524
  605   1HG2  VAL  73          3HG2      VAL  73  -1.566   3.143  -3.459
  606   2HG2  VAL  73          2HG2      VAL  73  -0.859   2.582  -1.944
  607   3HG2  VAL  73          1HG2      VAL  73  -1.328   1.418  -3.184
  608    H    LEU  74           HN       LEU  74  -5.655   3.920  -3.113
  609    HA   LEU  74           HA       LEU  74  -4.526   5.143  -5.526
  610   1HB   LEU  74           HB2      LEU  74  -6.535   3.676  -5.992
  611   2HB   LEU  74           HB1      LEU  74  -7.479   4.799  -5.050
  612    HG   LEU  74           HG       LEU  74  -5.923   5.744  -7.434
  613   1HD1  LEU  74          2HD1      LEU  74  -8.700   4.574  -7.422
  614   2HD1  LEU  74          1HD1      LEU  74  -7.942   5.410  -8.778
  615   3HD1  LEU  74          3HD1      LEU  74  -7.281   3.878  -8.206
  616   1HD2  LEU  74          1HD2      LEU  74  -6.852   7.415  -5.909
  617   2HD2  LEU  74          3HD2      LEU  74  -7.655   7.455  -7.478
  618   3HD2  LEU  74          2HD2      LEU  74  -8.451   6.696  -6.100
  619    H    ILE  75           HN       ILE  75  -3.872   7.026  -4.996
  620    HA   ILE  75           HA       ILE  75  -5.267   8.626  -3.038
  621    HB   ILE  75           HB       ILE  75  -3.556  10.376  -4.096
  622   1HG1  ILE  75          2HG1      ILE  75  -2.152   7.761  -4.586
  623   2HG1  ILE  75          1HG1      ILE  75  -2.940   8.674  -5.867
  624   1HG2  ILE  75          3HG2      ILE  75  -2.774   8.171  -2.211
  625   2HG2  ILE  75          2HG2      ILE  75  -1.915   9.699  -2.414
  626   3HG2  ILE  75          1HG2      ILE  75  -3.561   9.690  -1.783
  627   1HD1  ILE  75          1HD1      ILE  75  -0.691   9.677  -4.145
  628   2HD1  ILE  75          3HD1      ILE  75  -0.538   9.057  -5.790
  629   3HD1  ILE  75          2HD1      ILE  75  -1.451  10.539  -5.487
  630    H    THR  76           HN       THR  76  -7.155   9.321  -3.654
  631    HA   THR  76           HA       THR  76  -7.538  10.413  -6.347
  632    HB   THR  76           HB       THR  76  -9.860  10.473  -4.588
  633    HG1  THR  76           HG1      THR  76  -9.158   8.658  -3.583
  634   1HG2  THR  76          2HG2      THR  76  -9.224   9.044  -7.156
  635   2HG2  THR  76          1HG2      THR  76 -10.830   9.183  -6.440
  636   3HG2  THR  76          3HG2      THR  76  -9.984  10.628  -6.996
  637    H    VAL  77           HN       VAL  77  -7.130  12.541  -6.502
  638    HA   VAL  77           HA       VAL  77  -8.028  14.239  -4.278
  639    HB   VAL  77           HB       VAL  77  -5.555  14.236  -4.682
  640   1HG1  VAL  77          1HG1      VAL  77  -6.310  15.531  -7.287
  641   2HG1  VAL  77          3HG1      VAL  77  -4.682  15.466  -6.611
  642   3HG1  VAL  77          2HG1      VAL  77  -5.506  13.975  -7.066
  643   1HG2  VAL  77          3HG2      VAL  77  -6.624  16.107  -3.576
  644   2HG2  VAL  77          2HG2      VAL  77  -5.286  16.649  -4.587
  645   3HG2  VAL  77          1HG2      VAL  77  -6.949  16.865  -5.136
  646    H    GLU  78           HN       GLU  78  -9.609  15.658  -4.710
  647    HA   GLU  78           HA       GLU  78 -10.272  16.109  -7.530
  648   1HB   GLU  78           HB2      GLU  78 -11.897  16.545  -5.018
  649   2HB   GLU  78           HB1      GLU  78 -12.434  17.008  -6.630
  650   1HG   GLU  78           HG2      GLU  78 -12.164  14.594  -7.291
  651   2HG   GLU  78           HG1      GLU  78 -11.926  14.238  -5.582
  652    H    ASP  79           HN       ASP  79  -8.764  17.632  -8.032
  653    HA   ASP  79           HA       ASP  79  -9.337  20.308  -7.782
  654   1HB   ASP  79           HB2      ASP  79  -8.645  19.832  -5.336
  655   2HB   ASP  79           HB1      ASP  79  -7.007  19.682  -5.966
  656    H    ALA  80           HN       ALA  80  -7.458  21.674  -8.568
  657    HA   ALA  80           HA       ALA  80  -5.962  20.083 -10.524
  658   1HB   ALA  80           HB1      ALA  80  -7.466  21.817 -11.388
  659   2HB   ALA  80           HB3      ALA  80  -6.533  23.041 -10.525
  660   3HB   ALA  80           HB2      ALA  80  -5.783  22.114 -11.824
  661    H    GLN  81           HN       GLN  81  -5.474  21.768  -7.615
  662    HA   GLN  81           HA       GLN  81  -3.034  23.089  -8.170
  663   1HB   GLN  81           HB2      GLN  81  -4.203  22.153  -5.554
  664   2HB   GLN  81           HB1      GLN  81  -2.759  23.146  -5.684
  665   1HG   GLN  81           HG2      GLN  81  -4.120  24.862  -6.855
  666   2HG   GLN  81           HG1      GLN  81  -5.549  23.881  -6.537
  667   1HE2  GLN  81          1HE2      GLN  81  -6.543  25.393  -5.260
  668   2HE2  GLN  81          2HE2      GLN  81  -5.968  25.842  -3.688
  669    H    ASN  82           HN       ASN  82  -1.048  22.411  -8.366
  670    HA   ASN  82           HA       ASN  82  -0.176  19.761  -8.090
  671   1HB   ASN  82           HB2      ASN  82   1.161  21.151  -9.443
  672   2HB   ASN  82           HB1      ASN  82   1.256  22.407  -8.216
  673   1HD2  ASN  82          1HD2      ASN  82   2.441  19.275  -9.208
  674   2HD2  ASN  82          2HD2      ASN  82   3.852  19.284  -8.208
  675    H    ARG  83           HN       ARG  83  -0.336  22.437  -5.831
  676    HA   ARG  83           HA       ARG  83   1.196  21.426  -3.736
  677   1HB   ARG  83           HB2      ARG  83  -1.326  23.085  -3.672
  678   2HB   ARG  83           HB1      ARG  83  -0.342  22.758  -2.252
  679   1HG   ARG  83           HG2      ARG  83   1.547  23.882  -3.267
  680   2HG   ARG  83           HG1      ARG  83   0.611  24.161  -4.737
  681   1HD   ARG  83           HD2      ARG  83  -0.945  25.555  -3.521
  682   2HD   ARG  83           HD1      ARG  83  -0.110  25.211  -2.005
  683    HE   ARG  83           HE       ARG  83   1.725  26.290  -3.840
  684   1HH1  ARG  83          1HH1      ARG  83  -1.110  27.291  -2.036
  685   2HH1  ARG  83          2HH1      ARG  83  -0.549  28.927  -1.826
  686   1HH2  ARG  83          1HH2      ARG  83   2.472  28.417  -3.542
  687   2HH2  ARG  83          2HH2      ARG  83   1.489  29.566  -2.679
  688    H    ALA  84           HN       ALA  84  -2.082  20.634  -4.720
  689    HA   ALA  84           HA       ALA  84  -2.707  19.128  -2.387
  690   1HB   ALA  84           HB1      ALA  84  -3.987  18.953  -5.114
  691   2HB   ALA  84           HB3      ALA  84  -4.666  18.371  -3.592
  692   3HB   ALA  84           HB2      ALA  84  -4.443  20.101  -3.855
  693    H    GLU  85           HN       GLU  85  -1.862  18.186  -5.722
  694    HA   GLU  85           HA       GLU  85  -1.745  15.417  -5.151
  695   1HB   GLU  85           HB2      GLU  85  -0.552  15.179  -7.260
  696   2HB   GLU  85           HB1      GLU  85  -1.959  16.214  -7.432
  697   1HG   GLU  85           HG2      GLU  85  -0.666  18.158  -7.602
  698   2HG   GLU  85           HG1      GLU  85   0.776  17.353  -6.992
  699    H    LEU  86           HN       LEU  86   0.645  17.975  -4.841
  700    HA   LEU  86           HA       LEU  86   2.901  16.327  -4.427
  701   1HB   LEU  86           HB2      LEU  86   2.887  18.818  -4.839
  702   2HB   LEU  86           HB1      LEU  86   2.388  19.020  -3.173
  703    HG   LEU  86           HG       LEU  86   4.475  17.914  -2.427
  704   1HD1  LEU  86          1HD1      LEU  86   5.203  18.022  -5.349
  705   2HD1  LEU  86          3HD1      LEU  86   6.300  17.613  -4.029
  706   3HD1  LEU  86          2HD1      LEU  86   4.928  16.566  -4.393
  707   1HD2  LEU  86          1HD2      LEU  86   4.856  20.309  -4.219
  708   2HD2  LEU  86          3HD2      LEU  86   4.346  20.340  -2.532
  709   3HD2  LEU  86          2HD2      LEU  86   5.965  19.781  -2.953
  710    H    LYS  87           HN       LYS  87   0.426  17.580  -2.273
  711    HA   LYS  87           HA       LYS  87   1.673  16.727   0.133
  712   1HB   LYS  87           HB2      LYS  87  -0.234  18.480  -0.349
  713   2HB   LYS  87           HB1      LYS  87  -1.283  17.092  -0.102
  714   1HG   LYS  87           HG2      LYS  87  -0.444  16.783   2.126
  715   2HG   LYS  87           HG1      LYS  87   0.763  18.050   1.886
  716   1HD   LYS  87           HD2      LYS  87  -1.062  19.681   1.555
  717   2HD   LYS  87           HD1      LYS  87  -2.234  18.403   1.888
  718   1HE   LYS  87           HE2      LYS  87  -1.880  19.739   3.873
  719   2HE   LYS  87           HE1      LYS  87  -1.252  18.110   4.120
  720   1HZ   LYS  87           HZ1      LYS  87   0.453  20.396   3.305
  721   2HZ   LYS  87           HZ3      LYS  87   0.199  19.961   4.923
  722   3HZ   LYS  87           HZ2      LYS  87   0.959  18.875   3.863
  723    H    LEU  88           HN       LEU  88  -0.839  15.330  -1.960
  724    HA   LEU  88           HA       LEU  88  -1.255  13.054  -0.305
  725   1HB   LEU  88           HB2      LEU  88  -2.368  12.092  -2.347
  726   2HB   LEU  88           HB1      LEU  88  -3.032  13.597  -1.736
  727    HG   LEU  88           HG       LEU  88  -1.346  14.588  -3.579
  728   1HD1  LEU  88          1HD1      LEU  88  -0.570  12.367  -4.266
  729   2HD1  LEU  88          3HD1      LEU  88  -2.223  11.952  -4.720
  730   3HD1  LEU  88          2HD1      LEU  88  -1.372  13.237  -5.574
  731   1HD2  LEU  88          2HD2      LEU  88  -4.102  13.507  -4.120
  732   2HD2  LEU  88          1HD2      LEU  88  -3.704  15.085  -3.431
  733   3HD2  LEU  88          3HD2      LEU  88  -3.257  14.711  -5.094
  734    H    LYS  89           HN       LYS  89   0.886  13.682  -3.059
  735    HA   LYS  89           HA       LYS  89   1.568  10.965  -3.435
  736   1HB   LYS  89           HB2      LYS  89   3.376  11.739  -4.861
  737   2HB   LYS  89           HB1      LYS  89   1.900  12.620  -5.211
  738   1HG   LYS  89           HG2      LYS  89   3.461  14.292  -5.274
  739   2HG   LYS  89           HG1      LYS  89   2.906  14.407  -3.606
  740   1HD   LYS  89           HD2      LYS  89   5.290  14.570  -3.607
  741   2HD   LYS  89           HD1      LYS  89   4.862  12.995  -2.942
  742   1HE   LYS  89           HE2      LYS  89   5.304  11.970  -5.134
  743   2HE   LYS  89           HE1      LYS  89   5.774  13.548  -5.765
  744   1HZ   LYS  89           HZ1      LYS  89   7.522  13.589  -4.005
  745   2HZ   LYS  89           HZ3      LYS  89   7.139  11.972  -3.647
  746   3HZ   LYS  89           HZ2      LYS  89   7.741  12.388  -5.181
  747    H    ARG  90           HN       ARG  90   2.923  13.483  -1.395
  748    HA   ARG  90           HA       ARG  90   5.239  12.002  -0.677
  749   1HB   ARG  90           HB2      ARG  90   5.551  13.614   1.118
  750   2HB   ARG  90           HB1      ARG  90   5.112  14.450  -0.364
  751   1HG   ARG  90           HG2      ARG  90   2.899  14.838   0.415
  752   2HG   ARG  90           HG1      ARG  90   3.134  13.768   1.794
  753   1HD   ARG  90           HD2      ARG  90   3.262  16.019   2.566
  754   2HD   ARG  90           HD1      ARG  90   4.881  15.326   2.625
  755    HE   ARG  90           HE       ARG  90   4.173  16.891   0.271
  756   1HH1  ARG  90          1HH1      ARG  90   5.866  16.639   3.314
  757   2HH1  ARG  90          2HH1      ARG  90   6.845  18.052   3.039
  758   1HH2  ARG  90          1HH2      ARG  90   5.448  18.765  -0.102
  759   2HH2  ARG  90          2HH2      ARG  90   6.601  19.267   1.098
  760    H    ALA  91           HN       ALA  91   2.027  12.387   0.765
  761    HA   ALA  91           HA       ALA  91   2.552  10.783   3.048
  762   1HB   ALA  91           HB2      ALA  91  -0.095  11.398   1.738
  763   2HB   ALA  91           HB1      ALA  91   0.144  10.794   3.377
  764   3HB   ALA  91           HB3      ALA  91   0.710  12.408   2.942
  765    H    VAL  92           HN       VAL  92   1.117  10.110  -0.124
  766    HA   VAL  92           HA       VAL  92   0.504   7.408   0.445
  767    HB   VAL  92           HB       VAL  92  -0.418   8.893  -1.445
  768   1HG1  VAL  92          3HG1      VAL  92   2.068   7.843  -2.781
  769   2HG1  VAL  92          2HG1      VAL  92   0.695   8.554  -3.630
  770   3HG1  VAL  92          1HG1      VAL  92   1.640   9.533  -2.505
  771   1HG2  VAL  92          2HG2      VAL  92  -1.065   6.579  -1.092
  772   2HG2  VAL  92          1HG2      VAL  92  -0.926   6.928  -2.814
  773   3HG2  VAL  92          3HG2      VAL  92   0.350   6.029  -1.990
  774    H    GLU  93           HN       GLU  93   3.391   9.014  -0.723
  775    HA   GLU  93           HA       GLU  93   4.764   6.692  -1.531
  776   1HB   GLU  93           HB2      GLU  93   5.558   9.459  -0.760
  777   2HB   GLU  93           HB1      GLU  93   6.802   8.227  -0.895
  778   1HG   GLU  93           HG2      GLU  93   6.151   7.777  -3.184
  779   2HG   GLU  93           HG1      GLU  93   4.830   8.933  -3.051
  780    H    GLU  94           HN       GLU  94   4.415   8.264   1.608
  781    HA   GLU  94           HA       GLU  94   6.085   6.428   2.985
  782   1HB   GLU  94           HB2      GLU  94   3.780   8.110   3.999
  783   2HB   GLU  94           HB1      GLU  94   4.878   7.197   5.033
  784   1HG   GLU  94           HG2      GLU  94   6.763   8.489   4.047
  785   2HG   GLU  94           HG1      GLU  94   5.577   9.485   3.211
  786    H    VAL  95           HN       VAL  95   2.691   6.382   2.025
  787    HA   VAL  95           HA       VAL  95   2.048   3.915   3.259
  788    HB   VAL  95           HB       VAL  95   0.926   4.961   0.653
  789   1HG1  VAL  95          3HG1      VAL  95   0.592   2.491   1.293
  790   2HG1  VAL  95          2HG1      VAL  95  -0.412   3.109   2.609
  791   3HG1  VAL  95          1HG1      VAL  95  -0.858   3.445   0.941
  792   1HG2  VAL  95          1HG2      VAL  95   0.643   6.595   2.444
  793   2HG2  VAL  95          3HG2      VAL  95  -0.902   5.868   2.005
  794   3HG2  VAL  95          2HG2      VAL  95  -0.072   5.356   3.475
  795    H    LYS  96           HN       LYS  96   3.508   4.742   0.131
  796    HA   LYS  96           HA       LYS  96   3.768   2.174  -0.942
  797   1HB   LYS  96           HB2      LYS  96   5.762   4.449  -1.085
  798   2HB   LYS  96           HB1      LYS  96   5.808   3.012  -2.091
  799   1HG   LYS  96           HG2      LYS  96   3.594   3.640  -3.008
  800   2HG   LYS  96           HG1      LYS  96   3.677   5.135  -2.071
  801   1HD   LYS  96           HD2      LYS  96   5.781   5.708  -3.232
  802   2HD   LYS  96           HD1      LYS  96   5.614   4.252  -4.214
  803   1HE   LYS  96           HE2      LYS  96   3.435   5.125  -5.026
  804   2HE   LYS  96           HE1      LYS  96   3.745   6.617  -4.136
  805   1HZ   LYS  96           HZ3      LYS  96   5.792   6.874  -5.464
  806   2HZ   LYS  96           HZ2      LYS  96   5.352   5.518  -6.379
  807   3HZ   LYS  96           HZ1      LYS  96   4.382   6.907  -6.405
  808    H    LYS  97           HN       LYS  97   5.567   3.712   1.644
  809    HA   LYS  97           HA       LYS  97   7.507   1.612   1.854
  810   1HB   LYS  97           HB2      LYS  97   7.725   4.033   2.679
  811   2HB   LYS  97           HB1      LYS  97   6.727   3.538   4.038
  812   1HG   LYS  97           HG2      LYS  97   9.054   3.472   4.656
  813   2HG   LYS  97           HG1      LYS  97   8.401   1.831   4.618
  814   1HD   LYS  97           HD2      LYS  97   9.390   1.464   2.431
  815   2HD   LYS  97           HD1      LYS  97   9.983   3.124   2.399
  816   1HE   LYS  97           HE2      LYS  97  11.382   2.660   4.354
  817   2HE   LYS  97           HE1      LYS  97  10.795   0.996   4.377
  818   1HZ   LYS  97           HZ1      LYS  97  12.285   2.251   2.132
  819   2HZ   LYS  97           HZ3      LYS  97  12.961   1.213   3.291
  820   3HZ   LYS  97           HZ2      LYS  97  11.782   0.633   2.222
  821    H    LEU  98           HN       LEU  98   4.286   2.174   2.923
  822    HA   LEU  98           HA       LEU  98   4.377   0.165   4.997
  823   1HB   LEU  98           HB2      LEU  98   2.483   2.228   4.131
  824   2HB   LEU  98           HB1      LEU  98   1.733   0.754   4.717
  825    HG   LEU  98           HG       LEU  98   1.942   2.416   6.496
  826   1HD1  LEU  98          2HD1      LEU  98   2.059   0.042   7.065
  827   2HD1  LEU  98          1HD1      LEU  98   3.814   0.087   6.893
  828   3HD1  LEU  98          3HD1      LEU  98   3.027   1.023   8.165
  829   1HD2  LEU  98          2HD2      LEU  98   4.915   2.215   6.019
  830   2HD2  LEU  98          1HD2      LEU  98   3.899   3.617   5.678
  831   3HD2  LEU  98          3HD2      LEU  98   4.138   3.083   7.342
  832    H    LEU  99           HN       LEU  99   2.922   0.415   1.735
  833    HA   LEU  99           HA       LEU  99   1.435  -1.976   2.070
  834   1HB   LEU  99           HB2      LEU  99   0.874  -1.890  -0.310
  835   2HB   LEU  99           HB1      LEU  99   0.495  -0.432   0.546
  836    HG   LEU  99           HG       LEU  99   1.611  -0.556  -1.883
  837   1HD1  LEU  99          3HD1      LEU  99   0.476   1.312  -0.931
  838   2HD1  LEU  99          2HD1      LEU  99   1.874   1.660   0.088
  839   3HD1  LEU  99          1HD1      LEU  99   2.000   1.808  -1.665
  840   1HD2  LEU  99          3HD2      LEU  99   3.762  -1.363  -1.078
  841   2HD2  LEU  99          2HD2      LEU  99   3.891   0.250  -1.787
  842   3HD2  LEU  99          1HD2      LEU  99   3.891   0.051  -0.034
  843    H    VAL 100           HN       VAL 100   4.214  -2.320   2.572
  844    HA   VAL 100           HA       VAL 100   5.035  -4.181   0.455
  845    HB   VAL 100           HB       VAL 100   6.671  -2.971   2.695
  846   1HG1  VAL 100          1HG1      VAL 100   7.488  -5.182   2.035
  847   2HG1  VAL 100          3HG1      VAL 100   7.562  -4.653   0.354
  848   3HG1  VAL 100          2HG1      VAL 100   8.614  -3.912   1.561
  849   1HG2  VAL 100          3HG2      VAL 100   6.630  -2.339  -0.252
  850   2HG2  VAL 100          2HG2      VAL 100   6.064  -1.297   1.055
  851   3HG2  VAL 100          1HG2      VAL 100   7.778  -1.688   0.915
  852    HA   PRO 101           HA       PRO 101   3.726  -7.585   3.015
  853   1HB   PRO 101           HB2      PRO 101   5.559  -9.406   2.001
  854   2HB   PRO 101           HB1      PRO 101   3.982  -9.040   1.293
  855   1HG   PRO 101           HG2      PRO 101   6.677  -7.966   0.580
  856   2HG   PRO 101           HG1      PRO 101   5.349  -8.459  -0.489
  857   1HD   PRO 101           HD2      PRO 101   5.821  -5.886  -0.018
  858   2HD   PRO 101           HD1      PRO 101   4.151  -6.496  -0.097
  859    H    ALA 102           HN       ALA 102   7.057  -6.545   2.798
  860    HA   ALA 102           HA       ALA 102   8.645  -6.268   4.380
  861   1HB   ALA 102           HB2      ALA 102   8.043  -6.292   6.740
  862   2HB   ALA 102           HB1      ALA 102   6.835  -5.424   5.792
  863   3HB   ALA 102           HB3      ALA 102   6.505  -7.064   6.348
  864    H    ALA 103           HN       ALA 103   9.316  -7.623   6.656
  865    HA   ALA 103           HA       ALA 103  10.592  -9.373   7.305
  866   1HB   ALA 103           HB3      ALA 103   9.545 -11.617   7.126
  867   2HB   ALA 103           HB1      ALA 103   8.286 -10.902   6.116
  868   3HB   ALA 103           HB2      ALA 103   8.478 -10.379   7.788
  869    H    GLU 104           HN       GLU 104   9.707 -11.648   4.954
  870    HA   GLU 104           HA       GLU 104  10.587 -12.468   3.056
  871   1HB   GLU 104           HB2      GLU 104  10.607 -10.376   1.978
  872   2HB   GLU 104           HB1      GLU 104  11.951  -9.791   2.954
  873   1HG   GLU 104           HG2      GLU 104  13.441 -11.405   1.880
  874   2HG   GLU 104           HG1      GLU 104  12.094 -11.991   0.904
  875    H    GLY 105           HN       GLY 105  12.095 -13.905   2.611
  876   1HA   GLY 105           HA1      GLY 105  14.851 -13.358   3.058
  877   2HA   GLY 105           HA2      GLY 105  14.175 -14.817   2.355
  878    H    GLU 106           HN       GLU 106  15.234 -13.262   5.262
  879    HA   GLU 106           HA       GLU 106  16.458 -15.601   6.054
  880   1HB   GLU 106           HB2      GLU 106  16.958 -14.437   8.185
  881   2HB   GLU 106           HB1      GLU 106  17.331 -13.489   6.755
  882   1HG   GLU 106           HG2      GLU 106  15.224 -12.249   7.059
  883   2HG   GLU 106           HG1      GLU 106  14.929 -13.164   8.538
  884    H    ASP 107           HN       ASP 107  13.543 -14.127   7.475
  885    HA   ASP 107           HA       ASP 107  13.227 -16.416   9.215
  886   1HB   ASP 107           HB2      ASP 107  12.792 -14.203  10.142
  887   2HB   ASP 107           HB1      ASP 107  11.575 -13.907   8.906
  888    H    SER 108           HN       SER 108  11.927 -15.106   6.347
  889    HA   SER 108           HA       SER 108   9.545 -16.520   6.189
  890   1HB   SER 108           HB2      SER 108  11.373 -15.545   4.013
  891   2HB   SER 108           HB1      SER 108   9.684 -16.009   3.785
  892    HG   SER 108           HG       SER 108   9.044 -14.189   4.704
  893    H    LEU 109           HN       LEU 109  12.772 -17.350   4.989
  894    HA   LEU 109           HA       LEU 109  12.114 -19.624   3.543
  895   1HB   LEU 109           HB2      LEU 109  14.618 -19.027   5.113
  896   2HB   LEU 109           HB1      LEU 109  14.462 -20.375   4.004
  897    HG   LEU 109           HG       LEU 109  14.282 -17.453   3.264
  898   1HD1  LEU 109          2HD1      LEU 109  16.549 -18.155   3.832
  899   2HD1  LEU 109          1HD1      LEU 109  16.417 -19.514   2.715
  900   3HD1  LEU 109          3HD1      LEU 109  16.394 -17.861   2.099
  901   1HD2  LEU 109          2HD2      LEU 109  14.177 -19.928   1.544
  902   2HD2  LEU 109          1HD2      LEU 109  12.837 -18.831   1.869
  903   3HD2  LEU 109          3HD2      LEU 109  14.235 -18.267   0.955
  904    H    LYS 110           HN       LYS 110  12.992 -19.397   6.974
  905    HA   LYS 110           HA       LYS 110  12.728 -22.201   7.427
  906   1HB   LYS 110           HB2      LYS 110  14.190 -20.740   8.778
  907   2HB   LYS 110           HB1      LYS 110  12.770 -19.924   9.416
  908   1HG   LYS 110           HG2      LYS 110  12.054 -21.913  10.537
  909   2HG   LYS 110           HG1      LYS 110  13.330 -22.858   9.767
  910   1HD   LYS 110           HD2      LYS 110  13.746 -20.571  11.693
  911   2HD   LYS 110           HD1      LYS 110  13.901 -22.287  12.082
  912   1HE   LYS 110           HE2      LYS 110  15.565 -20.758  10.079
  913   2HE   LYS 110           HE1      LYS 110  16.084 -21.259  11.686
  914   1HZ   LYS 110           HZ1      LYS 110  15.746 -23.577  11.001
  915   2HZ   LYS 110           HZ3      LYS 110  15.356 -23.060   9.432
  916   3HZ   LYS 110           HZ2      LYS 110  16.911 -22.793  10.052
  917    H    LYS 111           HN       LYS 111  10.695 -19.378   8.096
  918    HA   LYS 111           HA       LYS 111   8.620 -20.711   9.442
  919   1HB   LYS 111           HB2      LYS 111   8.954 -18.260   9.411
  920   2HB   LYS 111           HB1      LYS 111   8.482 -18.225   7.722
  921   1HG   LYS 111           HG2      LYS 111   6.238 -18.877   8.278
  922   2HG   LYS 111           HG1      LYS 111   6.690 -19.125   9.968
  923   1HD   LYS 111           HD2      LYS 111   7.249 -16.750  10.169
  924   2HD   LYS 111           HD1      LYS 111   6.802 -16.498   8.484
  925   1HE   LYS 111           HE2      LYS 111   4.885 -17.551  10.551
  926   2HE   LYS 111           HE1      LYS 111   5.086 -15.832  10.216
  927   1HZ   LYS 111           HZ1      LYS 111   4.577 -16.444   7.822
  928   2HZ   LYS 111           HZ3      LYS 111   4.036 -17.941   8.412
  929   3HZ   LYS 111           HZ2      LYS 111   3.290 -16.507   8.912
  930    H    MET 112           HN       MET 112   9.222 -20.130   6.031
  931    HA   MET 112           HA       MET 112   6.669 -21.093   5.173
  932   1HB   MET 112           HB2      MET 112   9.190 -20.371   3.702
  933   2HB   MET 112           HB1      MET 112   7.766 -21.001   2.880
  934   1HG   MET 112           HG2      MET 112   6.460 -19.124   3.569
  935   2HG   MET 112           HG1      MET 112   7.752 -18.541   4.616
  936   1HE   MET 112           HE2      MET 112   8.030 -20.031   0.975
  937   2HE   MET 112           HE1      MET 112   6.550 -19.072   0.914
  938   3HE   MET 112           HE3      MET 112   7.971 -18.564  -0.001
  939    H    LYS 113           HN       LYS 113   9.888 -22.520   5.478
  940    HA   LYS 113           HA       LYS 113   9.161 -24.904   4.090
  941   1HB   LYS 113           HB2      LYS 113  11.495 -24.302   4.268
  942   2HB   LYS 113           HB1      LYS 113  11.415 -24.343   6.023
  943   1HG   LYS 113           HG2      LYS 113  12.524 -26.320   5.084
  944   2HG   LYS 113           HG1      LYS 113  11.073 -26.735   5.995
  945   1HD   LYS 113           HD2      LYS 113  10.287 -26.308   3.312
  946   2HD   LYS 113           HD1      LYS 113  11.721 -27.335   3.278
  947   1HE   LYS 113           HE2      LYS 113   9.285 -27.854   4.987
  948   2HE   LYS 113           HE1      LYS 113   9.565 -28.590   3.407
  949   1HZ   LYS 113           HZ3      LYS 113  11.335 -28.883   5.780
  950   2HZ   LYS 113           HZ2      LYS 113  10.234 -30.048   5.228
  951   3HZ   LYS 113           HZ1      LYS 113  11.570 -29.621   4.270
  952    H    LEU 114           HN       LEU 114   9.049 -23.894   7.471
  953    HA   LEU 114           HA       LEU 114   8.387 -26.549   8.317
  954   1HB   LEU 114           HB2      LEU 114   9.736 -25.065   9.722
  955   2HB   LEU 114           HB1      LEU 114   8.392 -23.943   9.834
  956    HG   LEU 114           HG       LEU 114   7.072 -25.683  11.001
  957   1HD1  LEU 114          2HD1      LEU 114   8.210 -27.633  10.062
  958   2HD1  LEU 114          1HD1      LEU 114   9.666 -27.216  10.963
  959   3HD1  LEU 114          3HD1      LEU 114   8.199 -27.678  11.826
  960   1HD2  LEU 114          3HD2      LEU 114   8.324 -23.994  12.241
  961   2HD2  LEU 114          2HD2      LEU 114   8.279 -25.528  13.113
  962   3HD2  LEU 114          1HD2      LEU 114   9.740 -25.044  12.248
  963    H    MET 115           HN       MET 115   6.651 -23.419   8.648
  964    HA   MET 115           HA       MET 115   4.219 -24.978   9.083
  965   1HB   MET 115           HB2      MET 115   4.725 -23.282  10.751
  966   2HB   MET 115           HB1      MET 115   4.727 -22.038   9.506
  967   1HG   MET 115           HG2      MET 115   2.365 -22.485   9.053
  968   2HG   MET 115           HG1      MET 115   2.364 -23.722  10.309
  969   1HE   MET 115           HE2      MET 115   4.285 -20.314  10.368
  970   2HE   MET 115           HE1      MET 115   2.783 -19.877   9.558
  971   3HE   MET 115           HE3      MET 115   3.125 -19.251  11.170
  972    H    GLU 116           HN       GLU 116   5.279 -22.194   7.110
  973    HA   GLU 116           HA       GLU 116   2.821 -21.795   5.814
  974   1HB   GLU 116           HB2      GLU 116   5.522 -21.208   4.614
  975   2HB   GLU 116           HB1      GLU 116   3.997 -20.421   4.243
  976   1HG   GLU 116           HG2      GLU 116   5.272 -20.295   6.957
  977   2HG   GLU 116           HG1      GLU 116   5.620 -19.134   5.679
  978    H    LEU 117           HN       LEU 117   4.985 -24.311   5.518
  979    HA   LEU 117           HA       LEU 117   4.738 -25.026   2.786
  980   1HB   LEU 117           HB2      LEU 117   6.310 -25.853   4.781
  981   2HB   LEU 117           HB1      LEU 117   5.085 -27.094   4.912
  982    HG   LEU 117           HG       LEU 117   7.106 -27.736   3.578
  983   1HD1  LEU 117          1HD1      LEU 117   4.975 -28.904   3.306
  984   2HD1  LEU 117          3HD1      LEU 117   4.492 -27.742   2.071
  985   3HD1  LEU 117          2HD1      LEU 117   5.863 -28.815   1.783
  986   1HD2  LEU 117          2HD2      LEU 117   7.499 -25.585   2.499
  987   2HD2  LEU 117          1HD2      LEU 117   7.316 -26.870   1.307
  988   3HD2  LEU 117          3HD2      LEU 117   5.989 -25.748   1.603
  989    H    ALA 118           HN       ALA 118   2.773 -25.474   5.620
  990    HA   ALA 118           HA       ALA 118   0.715 -26.659   3.971
  991   1HB   ALA 118           HB3      ALA 118   1.809 -28.516   5.138
  992   2HB   ALA 118           HB1      ALA 118   0.134 -28.305   5.651
  993   3HB   ALA 118           HB2      ALA 118   1.448 -27.732   6.678
  994    H    ILE 119           HN       ILE 119   1.311 -25.603   7.296
  995    HA   ILE 119           HA       ILE 119   0.246 -24.204   8.701
  996    HB   ILE 119           HB       ILE 119  -1.440 -23.188   6.417
  997   1HG1  ILE 119          2HG1      ILE 119   1.289 -22.184   7.274
  998   2HG1  ILE 119          1HG1      ILE 119   0.985 -23.111   5.809
  999   1HG2  ILE 119          1HG2      ILE 119  -2.090 -22.554   8.685
 1000   2HG2  ILE 119          3HG2      ILE 119  -0.461 -21.948   8.976
 1001   3HG2  ILE 119          2HG2      ILE 119  -1.493 -21.162   7.781
 1002   1HD1  ILE 119          1HD1      ILE 119  -0.459 -21.308   4.993
 1003   2HD1  ILE 119          3HD1      ILE 119  -0.104 -20.380   6.450
 1004   3HD1  ILE 119          2HD1      ILE 119   1.186 -20.759   5.309
 1005    H    LEU 120           HN       LEU 120  -2.150 -25.231   6.294
 1006    HA   LEU 120           HA       LEU 120  -4.112 -25.788   8.321
 1007   1HB   LEU 120           HB2      LEU 120  -4.096 -26.327   5.350
 1008   2HB   LEU 120           HB1      LEU 120  -5.456 -26.657   6.405
 1009    HG   LEU 120           HG       LEU 120  -5.956 -24.631   5.315
 1010   1HD1  LEU 120          2HD1      LEU 120  -6.416 -24.642   7.724
 1011   2HD1  LEU 120          1HD1      LEU 120  -4.854 -23.874   8.015
 1012   3HD1  LEU 120          3HD1      LEU 120  -6.104 -23.021   7.105
 1013   1HD2  LEU 120          2HD2      LEU 120  -3.201 -23.667   6.066
 1014   2HD2  LEU 120          1HD2      LEU 120  -3.762 -24.087   4.447
 1015   3HD2  LEU 120          3HD2      LEU 120  -4.448 -22.694   5.283
 1016    H    ASN 121           HN       ASN 121  -2.923 -27.251   9.547
 1017    HA   ASN 121           HA       ASN 121  -2.131 -29.793   8.401
 1018   1HB   ASN 121           HB2      ASN 121  -1.239 -30.269  10.627
 1019   2HB   ASN 121           HB1      ASN 121  -0.720 -28.673  10.097
 1020   1HD2  ASN 121          1HD2      ASN 121  -1.751 -26.813  11.038
 1021   2HD2  ASN 121          2HD2      ASN 121  -2.468 -26.928  12.610
 1022    H    GLY 122           HN       GLY 122  -4.969 -28.954   8.526
 1023   1HA   GLY 122           HA1      GLY 122  -6.026 -31.088  10.273
 1024   2HA   GLY 122           HA2      GLY 122  -6.692 -30.730   8.680
 1025    H    THR 123           HN       THR 123  -5.581 -28.036  10.338
 1026    HA   THR 123           HA       THR 123  -8.123 -27.375  11.561
 1027    HB   THR 123           HB       THR 123  -5.741 -25.564  11.345
 1028    HG1  THR 123           HG1      THR 123  -6.109 -27.772  13.114
 1029   1HG2  THR 123          1HG2      THR 123  -7.980 -25.922  13.325
 1030   2HG2  THR 123          3HG2      THR 123  -6.527 -25.002  13.705
 1031   3HG2  THR 123          2HG2      THR 123  -7.570 -24.483  12.386
 1032    H    TYR 124           HN       TYR 124  -8.776 -24.958  11.096
 1033    HA   TYR 124           HA       TYR 124  -8.679 -24.312   8.274
 1034   1HB   TYR 124           HB2      TYR 124 -11.155 -24.452   8.075
 1035   2HB   TYR 124           HB1      TYR 124 -10.378 -26.011   8.319
 1036    HD1  TYR 124           HD1      TYR 124 -13.203 -24.303   9.124
 1037    HD2  TYR 124           HD2      TYR 124 -10.081 -26.447  11.066
 1038    HE1  TYR 124           HE1      TYR 124 -14.693 -24.735  11.022
 1039    HE2  TYR 124           HE2      TYR 124 -11.569 -26.896  12.971
 1040    HH   TYR 124           HH       TYR 124 -14.908 -26.423  12.864
 1041    H    ARG 125           HN       ARG 125  -8.217 -22.187   8.363
 1042    HA   ARG 125           HA       ARG 125  -9.558 -20.318   9.987
 1043   1HB   ARG 125           HB2      ARG 125  -8.586 -20.063   7.127
 1044   2HB   ARG 125           HB1      ARG 125  -9.180 -18.719   8.087
 1045   1HG   ARG 125           HG2      ARG 125  -6.760 -20.389   8.737
 1046   2HG   ARG 125           HG1      ARG 125  -6.736 -18.792   7.987
 1047   1HD   ARG 125           HD2      ARG 125  -6.319 -18.348  10.239
 1048   2HD   ARG 125           HD1      ARG 125  -8.042 -18.023  10.062
 1049    HE   ARG 125           HE       ARG 125  -7.171 -20.658  11.027
 1050   1HH1  ARG 125          1HH1      ARG 125  -8.835 -17.624  11.594
 1051   2HH1  ARG 125          2HH1      ARG 125  -9.470 -18.123  13.134
 1052   1HH2  ARG 125          1HH2      ARG 125  -8.020 -21.307  13.051
 1053   2HH2  ARG 125          2HH2      ARG 125  -9.008 -20.197  13.962
 1054    H    ASP 126           HN       ASP 126 -10.207 -21.064   6.569
 1055    HA   ASP 126           HA       ASP 126 -12.585 -22.416   7.030
 1056   1HB   ASP 126           HB2      ASP 126 -13.280 -20.090   7.651
 1057   2HB   ASP 126           HB1      ASP 126 -13.067 -19.661   5.954
 1058    H    ALA 127           HN       ALA 127 -13.173 -23.508   5.276
 1059    HA   ALA 127           HA       ALA 127 -12.970 -24.486   3.244
 1060   1HB   ALA 127           HB1      ALA 127 -13.680 -22.334   2.280
 1061   2HB   ALA 127           HB2      ALA 127 -12.534 -23.186   1.244
 1062   3HB   ALA 127           HB3      ALA 127 -11.992 -21.825   2.226
 1063    H    ASN 128           HN       ASN 128 -10.415 -22.781   4.594
 1064    HA   ASN 128           HA       ASN 128  -8.183 -23.943   3.453
 1065   1HB   ASN 128           HB2      ASN 128  -8.906 -22.914   6.184
 1066   2HB   ASN 128           HB1      ASN 128  -7.303 -23.541   5.826
 1067   1HD2  ASN 128          1HD2      ASN 128  -6.287 -21.567   6.143
 1068   2HD2  ASN 128          2HD2      ASN 128  -6.480 -20.227   5.062
 1069    H    LEU 129           HN       LEU 129 -10.704 -25.310   5.254
 1070    HA   LEU 129           HA       LEU 129  -9.333 -27.500   6.461
 1071   1HB   LEU 129           HB2      LEU 129 -11.744 -28.452   6.483
 1072   2HB   LEU 129           HB1      LEU 129 -11.354 -27.055   7.461
 1073    HG   LEU 129           HG       LEU 129 -12.293 -25.632   5.592
 1074   1HD1  LEU 129          2HD1      LEU 129 -13.362 -28.294   4.681
 1075   2HD1  LEU 129          1HD1      LEU 129 -13.918 -26.722   4.104
 1076   3HD1  LEU 129          3HD1      LEU 129 -12.260 -27.240   3.794
 1077   1HD2  LEU 129          3HD2      LEU 129 -13.480 -26.010   7.674
 1078   2HD2  LEU 129          2HD2      LEU 129 -14.603 -25.973   6.313
 1079   3HD2  LEU 129          1HD2      LEU 129 -14.145 -27.514   7.037
 1080    H    LYS 130           HN       LYS 130  -8.785 -27.090   3.627
 1081    HA   LYS 130           HA       LYS 130  -9.976 -29.299   2.220
 1082   1HB   LYS 130           HB2      LYS 130  -8.448 -28.548   0.380
 1083   2HB   LYS 130           HB1      LYS 130  -9.559 -27.310   0.948
 1084   1HG   LYS 130           HG2      LYS 130  -7.814 -26.251   2.220
 1085   2HG   LYS 130           HG1      LYS 130  -6.690 -27.553   1.828
 1086   1HD   LYS 130           HD2      LYS 130  -6.746 -26.946  -0.511
 1087   2HD   LYS 130           HD1      LYS 130  -7.969 -25.712  -0.190
 1088   1HE   LYS 130           HE2      LYS 130  -6.414 -24.446   1.140
 1089   2HE   LYS 130           HE1      LYS 130  -5.207 -25.726   1.018
 1090   1HZ   LYS 130           HZ1      LYS 130  -6.272 -24.235  -1.318
 1091   2HZ   LYS 130           HZ3      LYS 130  -4.836 -23.825  -0.507
 1092   3HZ   LYS 130           HZ2      LYS 130  -4.964 -25.321  -1.293
 1093    H    SER 131           HN       SER 131  -7.897 -30.256   0.726
 1094    HA   SER 131           HA       SER 131  -6.411 -31.865   2.608
 1095   1HB   SER 131           HB2      SER 131  -6.247 -31.821  -0.418
 1096   2HB   SER 131           HB1      SER 131  -5.675 -33.100   0.654
 1097    HG   SER 131           HG       SER 131  -8.368 -32.344   0.832
 1098    HA   PRO 132           HA       PRO 132  -2.965 -29.099   2.765
 1099   1HB   PRO 132           HB2      PRO 132  -1.357 -31.317   3.772
 1100   2HB   PRO 132           HB1      PRO 132  -1.935 -29.881   4.619
 1101   1HG   PRO 132           HG2      PRO 132  -2.897 -32.351   5.144
 1102   2HG   PRO 132           HG1      PRO 132  -3.894 -30.891   5.276
 1103   1HD   PRO 132           HD2      PRO 132  -3.771 -32.904   3.057
 1104   2HD   PRO 132           HD1      PRO 132  -5.190 -32.138   3.802
 1105    H    ALA 133           HN       ALA 133  -3.324 -30.583   0.225
 1106    HA   ALA 133           HA       ALA 133  -0.553 -30.330  -0.676
 1107   1HB   ALA 133           HB1      ALA 133  -2.294 -32.696  -1.372
 1108   2HB   ALA 133           HB2      ALA 133  -0.873 -32.726  -0.327
 1109   3HB   ALA 133           HB3      ALA 133  -0.698 -32.352  -2.041
 1110    H    LEU 134           HN       LEU 134  -3.530 -29.240  -0.878
 1111    HA   LEU 134           HA       LEU 134  -3.598 -28.987  -3.805
 1112   1HB   LEU 134           HB2      LEU 134  -5.778 -28.506  -1.768
 1113   2HB   LEU 134           HB1      LEU 134  -5.948 -28.303  -3.501
 1114    HG   LEU 134           HG       LEU 134  -5.413 -30.914  -2.080
 1115   1HD1  LEU 134          1HD1      LEU 134  -7.882 -29.882  -3.471
 1116   2HD1  LEU 134          3HD1      LEU 134  -7.676 -31.501  -2.804
 1117   3HD1  LEU 134          2HD1      LEU 134  -7.682 -30.099  -1.733
 1118   1HD2  LEU 134          1HD2      LEU 134  -4.359 -30.814  -4.288
 1119   2HD2  LEU 134          3HD2      LEU 134  -5.714 -31.944  -4.265
 1120   3HD2  LEU 134          2HD2      LEU 134  -5.905 -30.353  -5.002

  No H/Q in entry =        1120
  Start of MODEL   16
    1    H1   GLN   1           HT3      GLN   1 -10.547  14.282 -12.764
    2    H2   GLN   1           HT2      GLN   1 -11.058  15.742 -12.071
    3    H3   GLN   1           HT1      GLN   1  -9.585  15.668 -12.916
    4    HA   GLN   1           HA       GLN   1  -9.170  15.706 -10.564
    5   1HB   GLN   1           HB2      GLN   1 -10.102  14.205  -9.055
    6   2HB   GLN   1           HB1      GLN   1 -11.450  14.471 -10.149
    7   1HG   GLN   1           HG2      GLN   1 -10.571  12.382 -11.369
    8   2HG   GLN   1           HG1      GLN   1  -9.659  12.112  -9.897
    9   1HE2  GLN   1          1HE2      GLN   1 -10.712  11.521  -8.033
   10   2HE2  GLN   1          2HE2      GLN   1 -12.353  10.987  -8.027
   11    H    LEU   2           HN       LEU   2  -7.580  14.185  -9.523
   12    HA   LEU   2           HA       LEU   2  -6.377  12.432 -11.556
   13   1HB   LEU   2           HB2      LEU   2  -5.188  14.267  -9.548
   14   2HB   LEU   2           HB1      LEU   2  -4.344  12.766  -9.860
   15    HG   LEU   2           HG       LEU   2  -5.031  14.847 -11.932
   16   1HD1  LEU   2          1HD1      LEU   2  -2.425  14.139 -10.583
   17   2HD1  LEU   2          3HD1      LEU   2  -2.590  15.227 -11.962
   18   3HD1  LEU   2          2HD1      LEU   2  -3.324  15.647 -10.415
   19   1HD2  LEU   2          1HD2      LEU   2  -4.984  12.552 -12.815
   20   2HD2  LEU   2          3HD2      LEU   2  -3.638  13.518 -13.421
   21   3HD2  LEU   2          2HD2      LEU   2  -3.370  12.334 -12.139
   22    H    GLN   3           HN       GLN   3  -6.215  10.337 -11.090
   23    HA   GLN   3           HA       GLN   3  -6.318   9.578  -8.239
   24   1HB   GLN   3           HB2      GLN   3  -7.016   7.672 -10.463
   25   2HB   GLN   3           HB1      GLN   3  -7.416   7.559  -8.755
   26   1HG   GLN   3           HG2      GLN   3  -8.841   9.703  -9.295
   27   2HG   GLN   3           HG1      GLN   3  -8.763   9.060 -10.934
   28   1HE2  GLN   3          1HE2      GLN   3  -8.617   6.274  -9.812
   29   2HE2  GLN   3          2HE2      GLN   3 -10.231   5.889  -9.313
   30    H    GLU   4           HN       GLU   4  -4.513   8.579  -7.527
   31    HA   GLU   4           HA       GLU   4  -2.785   7.359  -9.576
   32   1HB   GLU   4           HB2      GLU   4  -1.795   8.231  -6.874
   33   2HB   GLU   4           HB1      GLU   4  -0.858   7.866  -8.317
   34   1HG   GLU   4           HG2      GLU   4  -2.211   9.912  -9.286
   35   2HG   GLU   4           HG1      GLU   4  -2.337  10.319  -7.576
   36    H    LYS   5           HN       LYS   5  -2.708   5.237  -9.480
   37    HA   LYS   5           HA       LYS   5  -3.660   4.006  -6.991
   38   1HB   LYS   5           HB2      LYS   5  -3.628   2.609  -9.657
   39   2HB   LYS   5           HB1      LYS   5  -4.496   2.156  -8.210
   40   1HG   LYS   5           HG2      LYS   5  -6.182   2.961  -9.544
   41   2HG   LYS   5           HG1      LYS   5  -5.785   4.368  -8.551
   42   1HD   LYS   5           HD2      LYS   5  -6.079   5.009 -10.879
   43   2HD   LYS   5           HD1      LYS   5  -4.403   5.256 -10.376
   44   1HE   LYS   5           HE2      LYS   5  -3.804   3.107 -11.431
   45   2HE   LYS   5           HE1      LYS   5  -5.471   2.921 -11.966
   46   1HZ   LYS   5           HZ1      LYS   5  -5.218   5.000 -13.231
   47   2HZ   LYS   5           HZ3      LYS   5  -3.581   5.054 -12.785
   48   3HZ   LYS   5           HZ2      LYS   5  -4.150   3.783 -13.747
   49    H    LEU   6           HN       LEU   6  -2.176   3.141  -5.846
   50    HA   LEU   6           HA       LEU   6   0.297   2.223  -7.109
   51   1HB   LEU   6           HB2      LEU   6  -0.260   2.493  -4.154
   52   2HB   LEU   6           HB1      LEU   6   1.299   2.466  -4.967
   53    HG   LEU   6           HG       LEU   6  -0.712   4.680  -5.355
   54   1HD1  LEU   6          2HD1      LEU   6   0.049   4.465  -2.985
   55   2HD1  LEU   6          1HD1      LEU   6   1.689   4.773  -3.555
   56   3HD1  LEU   6          3HD1      LEU   6   0.432   6.002  -3.766
   57   1HD2  LEU   6          3HD2      LEU   6   0.951   4.426  -7.129
   58   2HD2  LEU   6          2HD2      LEU   6   1.197   5.916  -6.218
   59   3HD2  LEU   6          1HD2      LEU   6   2.243   4.525  -5.933
   60    H    TYR   7           HN       TYR   7  -0.082   0.232  -7.854
   61    HA   TYR   7           HA       TYR   7  -2.095  -1.430  -6.674
   62   1HB   TYR   7           HB2      TYR   7  -0.448  -1.486  -9.135
   63   2HB   TYR   7           HB1      TYR   7  -1.006  -3.047  -8.528
   64    HD1  TYR   7           HD1      TYR   7  -3.241  -3.726  -8.793
   65    HD2  TYR   7           HD2      TYR   7  -2.148   0.288  -9.682
   66    HE1  TYR   7           HE1      TYR   7  -5.444  -3.362  -9.810
   67    HE2  TYR   7           HE2      TYR   7  -4.352   0.663 -10.707
   68    HH   TYR   7           HH       TYR   7  -6.185  -0.534 -11.649
   69    H    VAL   8           HN       VAL   8  -1.930  -3.052  -5.376
   70    HA   VAL   8           HA       VAL   8   0.660  -4.402  -5.064
   71    HB   VAL   8           HB       VAL   8  -0.156  -4.917  -2.688
   72   1HG1  VAL   8          1HG1      VAL   8   1.687  -3.375  -3.186
   73   2HG1  VAL   8          3HG1      VAL   8   0.531  -2.052  -3.346
   74   3HG1  VAL   8          2HG1      VAL   8   0.753  -2.848  -1.787
   75   1HG2  VAL   8          3HG2      VAL   8  -2.013  -2.636  -3.388
   76   2HG2  VAL   8          2HG2      VAL   8  -2.453  -4.270  -2.872
   77   3HG2  VAL   8          1HG2      VAL   8  -1.674  -3.168  -1.734
   78    HA   PRO   9           HA       PRO   9  -2.201  -7.426  -6.625
   79   1HB   PRO   9           HB2      PRO   9  -0.396  -9.396  -7.097
   80   2HB   PRO   9           HB1      PRO   9  -0.600  -7.995  -8.160
   81   1HG   PRO   9           HG2      PRO   9   1.471  -8.513  -6.071
   82   2HG   PRO   9           HG1      PRO   9   1.653  -7.770  -7.672
   83   1HD   PRO   9           HD2      PRO   9   1.517  -6.329  -5.353
   84   2HD   PRO   9           HD1      PRO   9   0.991  -5.702  -6.927
   85    H    VAL  10           HN       VAL  10  -3.337  -7.778  -4.750
   86    HA   VAL  10           HA       VAL  10  -2.379  -9.121  -2.477
   87    HB   VAL  10           HB       VAL  10  -4.421  -7.713  -2.558
   88   1HG1  VAL  10          3HG1      VAL  10  -5.412  -8.530  -4.601
   89   2HG1  VAL  10          2HG1      VAL  10  -5.674 -10.111  -3.864
   90   3HG1  VAL  10          1HG1      VAL  10  -6.544  -8.701  -3.258
   91   1HG2  VAL  10          1HG2      VAL  10  -4.776 -10.484  -1.439
   92   2HG2  VAL  10          3HG2      VAL  10  -3.992  -9.120  -0.639
   93   3HG2  VAL  10          2HG2      VAL  10  -5.723  -9.071  -0.975
   94    H    LYS  11           HN       LYS  11  -3.632 -10.219  -5.496
   95    HA   LYS  11           HA       LYS  11  -4.096 -12.929  -4.776
   96   1HB   LYS  11           HB2      LYS  11  -3.518 -11.688  -7.474
   97   2HB   LYS  11           HB1      LYS  11  -4.032 -13.352  -7.230
   98   1HG   LYS  11           HG2      LYS  11  -6.104 -12.473  -6.153
   99   2HG   LYS  11           HG1      LYS  11  -5.598 -10.854  -6.638
  100   1HD   LYS  11           HD2      LYS  11  -5.997 -13.157  -8.540
  101   2HD   LYS  11           HD1      LYS  11  -7.211 -11.918  -8.211
  102   1HE   LYS  11           HE2      LYS  11  -5.729 -10.202  -9.060
  103   2HE   LYS  11           HE1      LYS  11  -4.447 -11.388  -9.297
  104   1HZ   LYS  11           HZ2      LYS  11  -7.079 -11.454 -10.677
  105   2HZ   LYS  11           HZ1      LYS  11  -5.649 -10.839 -11.358
  106   3HZ   LYS  11           HZ3      LYS  11  -5.762 -12.486 -10.958
  107    H    GLU  12           HN       GLU  12  -1.297 -11.074  -5.534
  108    HA   GLU  12           HA       GLU  12   0.442 -13.315  -6.018
  109   1HB   GLU  12           HB2      GLU  12   0.914 -10.382  -5.553
  110   2HB   GLU  12           HB1      GLU  12   2.226 -11.540  -5.762
  111   1HG   GLU  12           HG2      GLU  12   0.064 -10.924  -7.758
  112   2HG   GLU  12           HG1      GLU  12   1.750 -10.422  -7.848
  113    H    TYR  13           HN       TYR  13  -0.459 -11.254  -3.347
  114    HA   TYR  13           HA       TYR  13   1.147 -12.957  -1.560
  115   1HB   TYR  13           HB2      TYR  13   0.444 -10.074  -1.007
  116   2HB   TYR  13           HB1      TYR  13   1.601 -11.087  -0.153
  117    HD1  TYR  13           HD1      TYR  13   3.828 -11.350  -0.940
  118    HD2  TYR  13           HD2      TYR  13   0.998  -9.179  -3.250
  119    HE1  TYR  13           HE1      TYR  13   5.642 -10.517  -2.350
  120    HE2  TYR  13           HE2      TYR  13   2.805  -8.354  -4.697
  121    HH   TYR  13           HH       TYR  13   5.883  -9.661  -4.734
  122    HA   PRO  14           HA       PRO  14  -3.374 -13.212  -0.460
  123   1HB   PRO  14           HB2      PRO  14  -2.724 -16.053  -0.068
  124   2HB   PRO  14           HB1      PRO  14  -4.015 -15.324  -1.026
  125   1HG   PRO  14           HG2      PRO  14  -1.904 -16.517  -2.184
  126   2HG   PRO  14           HG1      PRO  14  -2.676 -15.087  -2.895
  127   1HD   PRO  14           HD2      PRO  14  -0.154 -15.275  -1.287
  128   2HD   PRO  14           HD1      PRO  14  -0.488 -14.324  -2.751
  129    H    ASP  15           HN       ASP  15  -0.362 -14.189   0.901
  130    HA   ASP  15           HA       ASP  15  -1.496 -14.645   3.547
  131   1HB   ASP  15           HB2      ASP  15   0.757 -15.303   4.183
  132   2HB   ASP  15           HB1      ASP  15   0.299 -16.128   2.697
  133    H    PHE  16           HN       PHE  16  -0.198 -12.098   1.714
  134    HA   PHE  16           HA       PHE  16   0.299 -10.548   4.166
  135   1HB   PHE  16           HB2      PHE  16   2.111 -10.653   2.355
  136   2HB   PHE  16           HB1      PHE  16   1.027  -9.644   1.388
  137    HD1  PHE  16           HD1      PHE  16   2.893  -9.803   4.568
  138    HD2  PHE  16           HD2      PHE  16   0.868  -7.306   1.778
  139    HE1  PHE  16           HE1      PHE  16   3.722  -7.811   5.750
  140    HE2  PHE  16           HE2      PHE  16   1.702  -5.318   2.944
  141    HZ   PHE  16           HZ       PHE  16   3.119  -5.566   4.942
  142    H    ASN  17           HN       ASN  17  -1.446  -9.669   4.818
  143    HA   ASN  17           HA       ASN  17  -3.551  -8.837   3.051
  144   1HB   ASN  17           HB2      ASN  17  -4.350  -7.851   5.384
  145   2HB   ASN  17           HB1      ASN  17  -4.475  -9.570   5.023
  146   1HD2  ASN  17          1HD2      ASN  17  -2.466  -7.142   6.640
  147   2HD2  ASN  17          2HD2      ASN  17  -1.776  -8.232   7.795
  148    H    PHE  18           HN       PHE  18  -2.607  -7.184   1.766
  149    HA   PHE  18           HA       PHE  18  -1.208  -4.996   2.769
  150   1HB   PHE  18           HB2      PHE  18  -3.012  -5.138   0.353
  151   2HB   PHE  18           HB1      PHE  18  -1.943  -3.785   0.733
  152    HD1  PHE  18           HD1      PHE  18   0.508  -4.431   1.210
  153    HD2  PHE  18           HD2      PHE  18  -2.188  -6.806  -1.065
  154    HE1  PHE  18           HE1      PHE  18   2.407  -5.525   0.129
  155    HE2  PHE  18           HE2      PHE  18  -0.273  -7.922  -2.180
  156    HZ   PHE  18           HZ       PHE  18   2.019  -7.266  -1.559
  157    H    VAL  19           HN       VAL  19  -4.710  -5.420   2.398
  158    HA   VAL  19           HA       VAL  19  -5.423  -2.884   3.346
  159    HB   VAL  19           HB       VAL  19  -7.592  -4.113   4.003
  160   1HG1  VAL  19          1HG1      VAL  19  -7.287  -2.729   2.012
  161   2HG1  VAL  19          3HG1      VAL  19  -6.633  -4.121   1.151
  162   3HG1  VAL  19          2HG1      VAL  19  -8.315  -4.123   1.681
  163   1HG2  VAL  19          1HG2      VAL  19  -6.649  -6.363   4.114
  164   2HG2  VAL  19          3HG2      VAL  19  -7.921  -6.270   2.899
  165   3HG2  VAL  19          2HG2      VAL  19  -6.229  -6.274   2.404
  166    H    GLY  20           HN       GLY  20  -5.176  -5.996   5.103
  167   1HA   GLY  20           HA1      GLY  20  -4.864  -6.422   7.346
  168   2HA   GLY  20           HA2      GLY  20  -5.673  -4.893   7.662
  169    H    ARG  21           HN       ARG  21  -3.005  -4.675   5.609
  170    HA   ARG  21           HA       ARG  21  -1.114  -4.051   7.713
  171   1HB   ARG  21           HB2      ARG  21   0.046  -5.138   6.068
  172   2HB   ARG  21           HB1      ARG  21  -0.980  -4.544   4.777
  173   1HG   ARG  21           HG2      ARG  21   0.884  -3.373   4.279
  174   2HG   ARG  21           HG1      ARG  21   0.217  -2.253   5.460
  175   1HD   ARG  21           HD2      ARG  21   2.599  -3.967   5.606
  176   2HD   ARG  21           HD1      ARG  21   2.280  -2.410   6.347
  177    HE   ARG  21           HE       ARG  21   0.780  -3.822   7.911
  178   1HH1  ARG  21          1HH1      ARG  21   3.856  -4.816   6.573
  179   2HH1  ARG  21          2HH1      ARG  21   4.182  -5.964   7.837
  180   1HH2  ARG  21          1HH2      ARG  21   1.211  -5.303   9.584
  181   2HH2  ARG  21          2HH2      ARG  21   2.697  -6.211   9.571
  182    H    ILE  22           HN       ILE  22  -2.926  -2.420   5.152
  183    HA   ILE  22           HA       ILE  22  -1.635   0.112   5.737
  184    HB   ILE  22           HB       ILE  22  -3.685  -0.694   3.681
  185   1HG1  ILE  22          2HG1      ILE  22  -1.472  -1.589   3.246
  186   2HG1  ILE  22          1HG1      ILE  22  -1.832  -0.310   2.090
  187   1HG2  ILE  22          3HG2      ILE  22  -2.353   1.982   4.028
  188   2HG2  ILE  22          2HG2      ILE  22  -3.346   1.498   2.653
  189   3HG2  ILE  22          1HG2      ILE  22  -4.064   1.622   4.258
  190   1HD1  ILE  22          3HD1      ILE  22  -0.491   1.243   3.482
  191   2HD1  ILE  22          2HD1      ILE  22  -0.044  -0.127   4.499
  192   3HD1  ILE  22          1HD1      ILE  22   0.436  -0.098   2.804
  193    H    LEU  23           HN       LEU  23  -5.050  -1.001   5.559
  194    HA   LEU  23           HA       LEU  23  -5.696   1.323   7.203
  195   1HB   LEU  23           HB2      LEU  23  -8.056   1.076   6.409
  196   2HB   LEU  23           HB1      LEU  23  -6.883   1.610   5.238
  197    HG   LEU  23           HG       LEU  23  -8.525   0.148   4.237
  198   1HD1  LEU  23          2HD1      LEU  23  -6.313   0.130   3.284
  199   2HD1  LEU  23          1HD1      LEU  23  -5.829  -1.167   4.376
  200   3HD1  LEU  23          3HD1      LEU  23  -7.064  -1.459   3.150
  201   1HD2  LEU  23          2HD2      LEU  23  -9.149  -1.182   6.152
  202   2HD2  LEU  23          1HD2      LEU  23  -8.681  -2.215   4.803
  203   3HD2  LEU  23          3HD2      LEU  23  -7.569  -1.967   6.150
  204    H    GLY  24           HN       GLY  24  -5.446  -1.985   7.421
  205   1HA   GLY  24           HA1      GLY  24  -5.944  -3.460   9.115
  206   2HA   GLY  24           HA2      GLY  24  -7.591  -2.931   8.822
  207    HA   PRO  25           HA       PRO  25  -6.373  -1.409  13.056
  208   1HB   PRO  25           HB2      PRO  25  -3.849  -1.507  13.926
  209   2HB   PRO  25           HB1      PRO  25  -4.801  -2.978  13.709
  210   1HG   PRO  25           HG2      PRO  25  -2.624  -1.864  12.021
  211   2HG   PRO  25           HG1      PRO  25  -3.052  -3.554  12.331
  212   1HD   PRO  25           HD2      PRO  25  -3.747  -2.023  10.064
  213   2HD   PRO  25           HD1      PRO  25  -4.397  -3.614  10.505
  214    H    ARG  26           HN       ARG  26  -4.520  -0.086  10.497
  215    HA   ARG  26           HA       ARG  26  -4.063   2.387  12.025
  216   1HB   ARG  26           HB2      ARG  26  -2.326   1.122   9.901
  217   2HB   ARG  26           HB1      ARG  26  -2.057   2.727  10.573
  218   1HG   ARG  26           HG2      ARG  26  -1.730   1.786  12.775
  219   2HG   ARG  26           HG1      ARG  26  -2.097   0.173  12.165
  220   1HD   ARG  26           HD2      ARG  26  -0.133   0.252  10.730
  221   2HD   ARG  26           HD1      ARG  26   0.224   1.888  11.288
  222    HE   ARG  26           HE       ARG  26   0.218   0.601  13.594
  223   1HH1  ARG  26          1HH1      ARG  26   1.627  -0.394  10.541
  224   2HH1  ARG  26          2HH1      ARG  26   2.930  -1.278  11.292
  225   1HH2  ARG  26          1HH2      ARG  26   1.906  -0.570  14.578
  226   2HH2  ARG  26          2HH2      ARG  26   3.082  -1.386  13.586
  227    H    GLY  27           HN       GLY  27  -6.388   1.683  10.330
  228   1HA   GLY  27           HA1      GLY  27  -7.775   2.826   8.905
  229   2HA   GLY  27           HA2      GLY  27  -6.363   2.990   7.864
  230    H    LEU  28           HN       LEU  28  -6.085   4.316  10.989
  231    HA   LEU  28           HA       LEU  28  -7.086   6.858  10.838
  232   1HB   LEU  28           HB2      LEU  28  -4.571   5.787  12.079
  233   2HB   LEU  28           HB1      LEU  28  -4.962   7.490  12.179
  234    HG   LEU  28           HG       LEU  28  -5.628   6.416  14.216
  235   1HD1  LEU  28          2HD1      LEU  28  -8.024   7.040  12.506
  236   2HD1  LEU  28          1HD1      LEU  28  -8.003   6.981  14.267
  237   3HD1  LEU  28          3HD1      LEU  28  -7.057   8.201  13.415
  238   1HD2  LEU  28          1HD2      LEU  28  -5.844   4.127  13.381
  239   2HD2  LEU  28          3HD2      LEU  28  -7.268   4.621  14.296
  240   3HD2  LEU  28          2HD2      LEU  28  -7.325   4.578  12.534
  241    H    THR  29           HN       THR  29  -4.106   5.609   9.393
  242    HA   THR  29           HA       THR  29  -3.044   8.106   8.666
  243    HB   THR  29           HB       THR  29  -1.658   6.070   8.719
  244    HG1  THR  29           HG1      THR  29  -1.794   7.583   6.318
  245   1HG2  THR  29          1HG2      THR  29  -3.256   4.498   7.709
  246   2HG2  THR  29          3HG2      THR  29  -3.077   5.321   6.159
  247   3HG2  THR  29          2HG2      THR  29  -1.702   4.477   6.875
  248    H    ALA  30           HN       ALA  30  -5.210   5.908   6.931
  249    HA   ALA  30           HA       ALA  30  -5.127   7.264   4.457
  250   1HB   ALA  30           HB1      ALA  30  -6.014   4.989   4.711
  251   2HB   ALA  30           HB2      ALA  30  -7.174   6.056   3.921
  252   3HB   ALA  30           HB3      ALA  30  -7.383   5.629   5.619
  253    H    LYS  31           HN       LYS  31  -7.164   7.577   7.298
  254    HA   LYS  31           HA       LYS  31  -8.954   9.514   6.322
  255   1HB   LYS  31           HB2      LYS  31  -9.238   8.157   8.407
  256   2HB   LYS  31           HB1      LYS  31  -7.975   9.138   9.152
  257   1HG   LYS  31           HG2      LYS  31 -10.157   9.907   9.851
  258   2HG   LYS  31           HG1      LYS  31  -9.374  11.136   8.856
  259   1HD   LYS  31           HD2      LYS  31 -10.679  10.377   6.918
  260   2HD   LYS  31           HD1      LYS  31 -11.472   9.172   7.931
  261   1HE   LYS  31           HE2      LYS  31 -11.611  12.165   8.275
  262   2HE   LYS  31           HE1      LYS  31 -12.888  11.132   7.636
  263   1HZ   LYS  31           HZ3      LYS  31 -12.856   9.965   9.830
  264   2HZ   LYS  31           HZ2      LYS  31 -11.817  11.179  10.402
  265   3HZ   LYS  31           HZ1      LYS  31 -13.381  11.580   9.894
  266    H    GLN  32           HN       GLN  32  -5.825   9.740   7.929
  267    HA   GLN  32           HA       GLN  32  -5.873  12.538   8.338
  268   1HB   GLN  32           HB2      GLN  32  -3.499  10.679   8.088
  269   2HB   GLN  32           HB1      GLN  32  -3.429  12.334   8.677
  270   1HG   GLN  32           HG2      GLN  32  -4.790   9.984   9.956
  271   2HG   GLN  32           HG1      GLN  32  -3.405  10.895  10.558
  272   1HE2  GLN  32          1HE2      GLN  32  -6.833  10.883  10.067
  273   2HE2  GLN  32          2HE2      GLN  32  -7.201  12.202  11.126
  274    H    LEU  33           HN       LEU  33  -4.820  10.520   5.662
  275    HA   LEU  33           HA       LEU  33  -3.337  12.563   4.361
  276   1HB   LEU  33           HB2      LEU  33  -4.618  10.234   2.954
  277   2HB   LEU  33           HB1      LEU  33  -3.162  11.100   2.508
  278    HG   LEU  33           HG       LEU  33  -3.540   9.059   4.673
  279   1HD1  LEU  33          3HD1      LEU  33  -2.962   8.253   2.461
  280   2HD1  LEU  33          2HD1      LEU  33  -1.553   9.313   2.430
  281   3HD1  LEU  33          1HD1      LEU  33  -1.637   7.994   3.599
  282   1HD2  LEU  33          1HD2      LEU  33  -1.237  10.988   4.418
  283   2HD2  LEU  33          3HD2      LEU  33  -2.382  10.870   5.759
  284   3HD2  LEU  33          2HD2      LEU  33  -1.252   9.552   5.443
  285    H    GLU  34           HN       GLU  34  -6.692  11.406   3.992
  286    HA   GLU  34           HA       GLU  34  -7.155  13.187   1.814
  287   1HB   GLU  34           HB2      GLU  34  -9.617  12.728   2.376
  288   2HB   GLU  34           HB1      GLU  34  -8.620  11.402   1.800
  289   1HG   GLU  34           HG2      GLU  34  -8.424  10.521   4.030
  290   2HG   GLU  34           HG1      GLU  34  -9.223  11.942   4.704
  291    H    ALA  35           HN       ALA  35  -7.677  13.325   5.277
  292    HA   ALA  35           HA       ALA  35  -9.156  15.719   5.281
  293   1HB   ALA  35           HB3      ALA  35  -8.649  15.835   7.663
  294   2HB   ALA  35           HB2      ALA  35  -9.107  14.198   7.191
  295   3HB   ALA  35           HB1      ALA  35  -7.410  14.594   7.468
  296    H    GLU  36           HN       GLU  36  -5.674  15.089   5.489
  297    HA   GLU  36           HA       GLU  36  -5.129  17.908   5.921
  298   1HB   GLU  36           HB2      GLU  36  -3.221  15.585   5.664
  299   2HB   GLU  36           HB1      GLU  36  -2.781  17.223   6.118
  300   1HG   GLU  36           HG2      GLU  36  -4.506  15.312   7.668
  301   2HG   GLU  36           HG1      GLU  36  -2.879  15.852   8.078
  302    H    THR  37           HN       THR  37  -4.377  15.469   3.406
  303    HA   THR  37           HA       THR  37  -2.685  17.333   2.042
  304    HB   THR  37           HB       THR  37  -2.237  15.628   0.434
  305    HG1  THR  37           HG1      THR  37  -4.413  14.192   1.586
  306   1HG2  THR  37          3HG2      THR  37  -2.585  14.381   3.160
  307   2HG2  THR  37          2HG2      THR  37  -1.583  13.739   1.860
  308   3HG2  THR  37          1HG2      THR  37  -1.178  15.288   2.599
  309    H    GLY  38           HN       GLY  38  -6.025  16.542   1.852
  310   1HA   GLY  38           HA1      GLY  38  -6.363  18.311  -0.443
  311   2HA   GLY  38           HA2      GLY  38  -7.649  17.640   0.561
  312    H    CYS  39           HN       CYS  39  -5.649  15.131  -0.099
  313    HA   CYS  39           HA       CYS  39  -7.103  14.298  -2.453
  314   1HB   CYS  39           HB2      CYS  39  -5.927  12.231  -2.341
  315   2HB   CYS  39           HB1      CYS  39  -4.739  13.474  -1.972
  316    HG   CYS  39           HG       CYS  39  -4.200  12.772   0.470
  317    H    LYS  40           HN       LYS  40  -8.337  12.239  -2.321
  318    HA   LYS  40           HA       LYS  40  -9.123  11.583   0.427
  319   1HB   LYS  40           HB2      LYS  40 -10.961  12.669  -0.986
  320   2HB   LYS  40           HB1      LYS  40 -10.886  11.250  -2.025
  321   1HG   LYS  40           HG2      LYS  40 -11.541  11.161   0.915
  322   2HG   LYS  40           HG1      LYS  40 -12.742  11.226  -0.371
  323   1HD   LYS  40           HD2      LYS  40 -11.767   9.108  -1.279
  324   2HD   LYS  40           HD1      LYS  40 -10.741   9.032   0.155
  325   1HE   LYS  40           HE2      LYS  40 -13.749   8.898   0.026
  326   2HE   LYS  40           HE1      LYS  40 -12.637   7.636   0.554
  327   1HZ   LYS  40           HZ1      LYS  40 -11.971   9.188   2.391
  328   2HZ   LYS  40           HZ3      LYS  40 -13.272  10.184   1.937
  329   3HZ   LYS  40           HZ2      LYS  40 -13.566   8.607   2.483
  330    H    ILE  41           HN       ILE  41  -7.527  10.045   0.579
  331    HA   ILE  41           HA       ILE  41  -7.023   8.294  -1.639
  332    HB   ILE  41           HB       ILE  41  -5.108   8.946  -0.367
  333   1HG1  ILE  41          2HG1      ILE  41  -5.752   6.054   0.250
  334   2HG1  ILE  41          1HG1      ILE  41  -5.110   6.654  -1.275
  335   1HG2  ILE  41          3HG2      ILE  41  -6.199   9.421   1.772
  336   2HG2  ILE  41          2HG2      ILE  41  -6.433   7.693   2.041
  337   3HG2  ILE  41          1HG2      ILE  41  -4.803   8.364   1.997
  338   1HD1  ILE  41          1HD1      ILE  41  -3.725   6.800   1.393
  339   2HD1  ILE  41          3HD1      ILE  41  -3.371   5.657   0.097
  340   3HD1  ILE  41          2HD1      ILE  41  -3.081   7.381  -0.144
  341    H    MET  42           HN       MET  42  -8.171   6.632  -2.079
  342    HA   MET  42           HA       MET  42  -9.614   5.313   0.098
  343   1HB   MET  42           HB2      MET  42 -11.279   4.635  -1.586
  344   2HB   MET  42           HB1      MET  42 -11.155   6.384  -1.469
  345   1HG   MET  42           HG2      MET  42  -9.831   6.459  -3.490
  346   2HG   MET  42           HG1      MET  42  -9.837   4.700  -3.589
  347   1HE   MET  42           HE1      MET  42 -12.749   7.166  -2.604
  348   2HE   MET  42           HE3      MET  42 -11.920   7.988  -3.926
  349   3HE   MET  42           HE2      MET  42 -13.555   7.369  -4.160
  350    H    VAL  43           HN       VAL  43  -9.156   3.227   0.404
  351    HA   VAL  43           HA       VAL  43  -7.229   1.988  -1.313
  352    HB   VAL  43           HB       VAL  43  -8.730   0.509   0.832
  353   1HG1  VAL  43          3HG1      VAL  43  -7.187  -0.709  -0.616
  354   2HG1  VAL  43          2HG1      VAL  43  -5.897   0.414  -0.184
  355   3HG1  VAL  43          1HG1      VAL  43  -6.586  -0.653   1.043
  356   1HG2  VAL  43          2HG2      VAL  43  -6.492   2.493   1.241
  357   2HG2  VAL  43          1HG2      VAL  43  -8.107   2.549   1.946
  358   3HG2  VAL  43          3HG2      VAL  43  -6.973   1.289   2.437
  359    H    ARG  44           HN       ARG  44  -7.642   0.442  -2.813
  360    HA   ARG  44           HA       ARG  44 -10.477  -0.139  -3.328
  361   1HB   ARG  44           HB2      ARG  44  -8.379   0.717  -5.331
  362   2HB   ARG  44           HB1      ARG  44  -9.911  -0.006  -5.787
  363   1HG   ARG  44           HG2      ARG  44 -11.011   1.926  -4.545
  364   2HG   ARG  44           HG1      ARG  44  -9.413   2.666  -4.523
  365   1HD   ARG  44           HD2      ARG  44  -9.350   2.856  -6.837
  366   2HD   ARG  44           HD1      ARG  44 -10.610   1.642  -7.065
  367    HE   ARG  44           HE       ARG  44 -11.605   3.898  -5.650
  368   1HH1  ARG  44          1HH1      ARG  44 -10.691   2.790  -8.838
  369   2HH1  ARG  44          2HH1      ARG  44 -11.784   3.857  -9.675
  370   1HH2  ARG  44          1HH2      ARG  44 -13.019   5.334  -6.730
  371   2HH2  ARG  44          2HH2      ARG  44 -13.092   5.331  -8.465
  372    H    GLY  45           HN       GLY  45 -10.652  -2.016  -4.952
  373   1HA   GLY  45           HA1      GLY  45  -8.426  -3.859  -4.811
  374   2HA   GLY  45           HA2      GLY  45  -9.973  -4.137  -5.594
  375    H    LYS  46           HN       LYS  46  -8.731  -6.029  -4.097
  376    HA   LYS  46           HA       LYS  46 -10.912  -6.876  -2.549
  377   1HB   LYS  46           HB2      LYS  46  -8.709  -8.031  -3.740
  378   2HB   LYS  46           HB1      LYS  46  -8.409  -8.264  -2.023
  379   1HG   LYS  46           HG2      LYS  46  -9.552 -10.166  -2.818
  380   2HG   LYS  46           HG1      LYS  46 -10.689  -9.227  -1.834
  381   1HD   LYS  46           HD2      LYS  46 -11.671 -10.086  -3.965
  382   2HD   LYS  46           HD1      LYS  46 -11.736  -8.331  -3.804
  383   1HE   LYS  46           HE2      LYS  46  -9.721  -8.144  -5.208
  384   2HE   LYS  46           HE1      LYS  46  -9.718  -9.900  -5.410
  385   1HZ   LYS  46           HZ2      LYS  46 -11.959  -9.686  -6.407
  386   2HZ   LYS  46           HZ1      LYS  46 -11.805  -7.998  -6.334
  387   3HZ   LYS  46           HZ3      LYS  46 -10.749  -8.905  -7.307
  388    H    GLY  47           HN       GLY  47 -11.400  -5.941  -0.591
  389   1HA   GLY  47           HA1      GLY  47  -9.208  -6.149   1.393
  390   2HA   GLY  47           HA2      GLY  47 -10.829  -6.739   1.719
  391    H    SER  48           HN       SER  48 -10.763  -3.900  -0.094
  392    HA   SER  48           HA       SER  48 -10.697  -1.961   1.947
  393   1HB   SER  48           HB2      SER  48 -10.412  -1.276  -0.320
  394   2HB   SER  48           HB1      SER  48 -11.936  -2.016  -0.800
  395    HG   SER  48           HG       SER  48 -12.375  -0.240   1.169
  396    H    MET  49           HN       MET  49 -12.827  -4.452   1.692
  397    HA   MET  49           HA       MET  49 -15.236  -2.835   1.982
  398   1HB   MET  49           HB2      MET  49 -16.296  -5.027   1.017
  399   2HB   MET  49           HB1      MET  49 -15.552  -3.832  -0.030
  400   1HG   MET  49           HG2      MET  49 -14.804  -5.908  -0.815
  401   2HG   MET  49           HG1      MET  49 -13.447  -5.237   0.085
  402   1HE   MET  49           HE3      MET  49 -12.296  -7.668   0.148
  403   2HE   MET  49           HE2      MET  49 -13.116  -9.111   0.743
  404   3HE   MET  49           HE1      MET  49 -13.657  -8.343  -0.749
  405    H    ARG  50           HN       ARG  50 -13.757  -5.842   3.212
  406    HA   ARG  50           HA       ARG  50 -16.257  -6.580   4.430
  407   1HB   ARG  50           HB2      ARG  50 -15.237  -8.665   5.020
  408   2HB   ARG  50           HB1      ARG  50 -14.813  -8.262   3.364
  409   1HG   ARG  50           HG2      ARG  50 -12.976  -7.717   5.671
  410   2HG   ARG  50           HG1      ARG  50 -12.995  -9.253   4.806
  411   1HD   ARG  50           HD2      ARG  50 -12.705  -7.851   2.694
  412   2HD   ARG  50           HD1      ARG  50 -12.273  -6.533   3.772
  413    HE   ARG  50           HE       ARG  50 -10.702  -8.901   3.206
  414   1HH1  ARG  50          1HH1      ARG  50 -11.121  -6.072   5.252
  415   2HH1  ARG  50          2HH1      ARG  50  -9.548  -6.209   5.979
  416   1HH2  ARG  50          1HH2      ARG  50  -8.651  -9.069   4.141
  417   2HH2  ARG  50          2HH2      ARG  50  -8.136  -7.918   5.340
  418    H    ASP  51           HN       ASP  51 -14.730  -4.220   5.541
  419    HA   ASP  51           HA       ASP  51 -14.112  -4.879   8.233
  420   1HB   ASP  51           HB2      ASP  51 -14.600  -2.431   6.689
  421   2HB   ASP  51           HB1      ASP  51 -15.190  -2.329   8.344
  422    H    LYS  52           HN       LYS  52 -15.498  -4.899  10.062
  423    HA   LYS  52           HA       LYS  52 -17.738  -6.454   9.592
  424   1HB   LYS  52           HB2      LYS  52 -17.097  -4.816  12.048
  425   2HB   LYS  52           HB1      LYS  52 -18.296  -6.099  11.982
  426   1HG   LYS  52           HG2      LYS  52 -16.539  -7.716  11.470
  427   2HG   LYS  52           HG1      LYS  52 -15.336  -6.425  11.541
  428   1HD   LYS  52           HD2      LYS  52 -15.906  -6.011  13.876
  429   2HD   LYS  52           HD1      LYS  52 -17.131  -7.281  13.807
  430   1HE   LYS  52           HE2      LYS  52 -15.388  -8.926  13.316
  431   2HE   LYS  52           HE1      LYS  52 -14.170  -7.654  13.395
  432   1HZ   LYS  52           HZ3      LYS  52 -15.945  -8.462  15.637
  433   2HZ   LYS  52           HZ2      LYS  52 -14.322  -8.927  15.458
  434   3HZ   LYS  52           HZ1      LYS  52 -14.715  -7.296  15.708
  435    H    LYS  53           HN       LYS  53 -17.594  -3.007  10.330
  436    HA   LYS  53           HA       LYS  53 -20.387  -2.661  10.495
  437   1HB   LYS  53           HB2      LYS  53 -19.904  -0.260  10.234
  438   2HB   LYS  53           HB1      LYS  53 -18.937  -1.029  11.481
  439   1HG   LYS  53           HG2      LYS  53 -17.008  -1.053  10.040
  440   2HG   LYS  53           HG1      LYS  53 -17.965  -0.433   8.693
  441   1HD   LYS  53           HD2      LYS  53 -17.445   1.013  11.289
  442   2HD   LYS  53           HD1      LYS  53 -16.622   1.325   9.759
  443   1HE   LYS  53           HE2      LYS  53 -18.752   1.953   8.740
  444   2HE   LYS  53           HE1      LYS  53 -19.586   1.622  10.256
  445   1HZ   LYS  53           HZ2      LYS  53 -18.208   3.362  11.296
  446   2HZ   LYS  53           HZ1      LYS  53 -17.540   3.723   9.780
  447   3HZ   LYS  53           HZ3      LYS  53 -19.196   3.963  10.057
  448    H    LYS  54           HN       LYS  54 -18.085  -2.311   7.847
  449    HA   LYS  54           HA       LYS  54 -19.924  -1.151   6.050
  450   1HB   LYS  54           HB2      LYS  54 -17.247  -2.456   5.717
  451   2HB   LYS  54           HB1      LYS  54 -18.185  -1.935   4.320
  452   1HG   LYS  54           HG2      LYS  54 -18.078   0.315   4.936
  453   2HG   LYS  54           HG1      LYS  54 -17.617  -0.066   6.596
  454   1HD   LYS  54           HD2      LYS  54 -15.489  -1.082   5.543
  455   2HD   LYS  54           HD1      LYS  54 -15.953  -0.189   4.094
  456   1HE   LYS  54           HE2      LYS  54 -15.509   1.024   6.820
  457   2HE   LYS  54           HE1      LYS  54 -14.334   1.033   5.509
  458   1HZ   LYS  54           HZ2      LYS  54 -15.912   2.323   4.182
  459   2HZ   LYS  54           HZ1      LYS  54 -17.004   2.343   5.476
  460   3HZ   LYS  54           HZ3      LYS  54 -15.504   3.123   5.617
  461    H    GLU  55           HN       GLU  55 -18.689  -4.475   6.332
  462    HA   GLU  55           HA       GLU  55 -20.187  -5.491   4.193
  463   1HB   GLU  55           HB2      GLU  55 -19.866  -7.713   5.381
  464   2HB   GLU  55           HB1      GLU  55 -18.395  -6.804   5.054
  465   1HG   GLU  55           HG2      GLU  55 -18.090  -6.232   7.256
  466   2HG   GLU  55           HG1      GLU  55 -19.782  -6.499   7.687
  467    H    GLU  56           HN       GLU  56 -21.195  -4.711   7.440
  468    HA   GLU  56           HA       GLU  56 -23.604  -6.302   7.227
  469   1HB   GLU  56           HB2      GLU  56 -22.562  -4.354   9.255
  470   2HB   GLU  56           HB1      GLU  56 -24.226  -4.918   9.324
  471   1HG   GLU  56           HG2      GLU  56 -21.788  -6.684   9.378
  472   2HG   GLU  56           HG1      GLU  56 -22.739  -6.202  10.784
  473    H    GLN  57           HN       GLN  57 -22.922  -2.807   7.295
  474    HA   GLN  57           HA       GLN  57 -25.709  -2.367   6.405
  475   1HB   GLN  57           HB2      GLN  57 -25.507  -0.124   7.412
  476   2HB   GLN  57           HB1      GLN  57 -25.214  -1.402   8.591
  477   1HG   GLN  57           HG2      GLN  57 -22.721  -1.007   7.741
  478   2HG   GLN  57           HG1      GLN  57 -23.375   0.600   7.461
  479   1HE2  GLN  57          1HE2      GLN  57 -21.469  -0.726   9.352
  480   2HE2  GLN  57          2HE2      GLN  57 -21.906  -0.067  10.896
  481    H    ASN  58           HN       ASN  58 -22.379  -1.349   5.933
  482    HA   ASN  58           HA       ASN  58 -23.008   0.402   3.736
  483   1HB   ASN  58           HB2      ASN  58 -20.413  -0.409   5.043
  484   2HB   ASN  58           HB1      ASN  58 -20.564   0.790   3.774
  485   1HD2  ASN  58          1HD2      ASN  58 -23.066   1.874   4.800
  486   2HD2  ASN  58          2HD2      ASN  58 -22.662   2.768   6.223
  487    H    ARG  59           HN       ARG  59 -23.202  -2.674   3.861
  488    HA   ARG  59           HA       ARG  59 -21.431  -3.749   2.008
  489   1HB   ARG  59           HB2      ARG  59 -23.051  -5.559   1.731
  490   2HB   ARG  59           HB1      ARG  59 -22.811  -5.153   3.421
  491   1HG   ARG  59           HG2      ARG  59 -24.919  -3.851   3.355
  492   2HG   ARG  59           HG1      ARG  59 -25.173  -4.422   1.701
  493   1HD   ARG  59           HD2      ARG  59 -25.058  -6.750   2.543
  494   2HD   ARG  59           HD1      ARG  59 -24.930  -6.119   4.182
  495    HE   ARG  59           HE       ARG  59 -27.284  -5.502   2.517
  496   1HH1  ARG  59          1HH1      ARG  59 -25.851  -6.808   5.427
  497   2HH1  ARG  59          2HH1      ARG  59 -27.367  -7.151   6.190
  498   1HH2  ARG  59          1HH2      ARG  59 -29.296  -5.964   3.499
  499   2HH2  ARG  59          2HH2      ARG  59 -29.340  -6.696   5.071
  500    H    GLY  60           HN       GLY  60 -21.512  -4.103  -0.152
  501   1HA   GLY  60           HA1      GLY  60 -23.672  -3.124  -1.808
  502   2HA   GLY  60           HA2      GLY  60 -22.151  -3.805  -2.372
  503    H    LYS  61           HN       LYS  61 -21.390  -1.453  -0.208
  504    HA   LYS  61           HA       LYS  61 -21.621   0.821  -1.995
  505   1HB   LYS  61           HB2      LYS  61 -20.442   0.633   0.783
  506   2HB   LYS  61           HB1      LYS  61 -20.729   2.120  -0.113
  507   1HG   LYS  61           HG2      LYS  61 -22.846   0.169   0.780
  508   2HG   LYS  61           HG1      LYS  61 -22.481   1.720   1.540
  509   1HD   LYS  61           HD2      LYS  61 -23.275   2.932  -0.309
  510   2HD   LYS  61           HD1      LYS  61 -23.244   1.513  -1.358
  511   1HE   LYS  61           HE2      LYS  61 -25.044   1.783   1.041
  512   2HE   LYS  61           HE1      LYS  61 -25.527   2.225  -0.596
  513   1HZ   LYS  61           HZ1      LYS  61 -24.578  -0.483   0.174
  514   2HZ   LYS  61           HZ3      LYS  61 -26.209  -0.043   0.090
  515   3HZ   LYS  61           HZ2      LYS  61 -25.251  -0.021  -1.310
  516    HA   PRO  62           HA       PRO  62 -17.785   1.794  -3.960
  517   1HB   PRO  62           HB2      PRO  62 -16.920   2.767  -1.244
  518   2HB   PRO  62           HB1      PRO  62 -16.457   3.380  -2.828
  519   1HG   PRO  62           HG2      PRO  62 -18.498   4.463  -1.457
  520   2HG   PRO  62           HG1      PRO  62 -18.548   4.319  -3.225
  521   1HD   PRO  62           HD2      PRO  62 -20.173   2.933  -1.245
  522   2HD   PRO  62           HD1      PRO  62 -20.335   2.935  -3.014
  523    H    ASN  63           HN       ASN  63 -17.244   0.275  -0.786
  524    HA   ASN  63           HA       ASN  63 -14.590  -0.615  -1.380
  525   1HB   ASN  63           HB2      ASN  63 -16.097  -2.252   0.526
  526   2HB   ASN  63           HB1      ASN  63 -14.594  -1.342   0.721
  527   1HD2  ASN  63          1HD2      ASN  63 -18.024  -1.217   0.925
  528   2HD2  ASN  63          2HD2      ASN  63 -18.138   0.248   1.842
  529    H    TRP  64           HN       TRP  64 -17.776  -1.901  -1.745
  530    HA   TRP  64           HA       TRP  64 -16.853  -4.425  -2.840
  531   1HB   TRP  64           HB2      TRP  64 -19.688  -3.407  -2.717
  532   2HB   TRP  64           HB1      TRP  64 -19.139  -5.080  -2.757
  533    HD1  TRP  64           HD1      TRP  64 -19.642  -2.177  -0.336
  534    HE1  TRP  64           HE1      TRP  64 -19.318  -3.021   2.072
  535    HE3  TRP  64           HE3      TRP  64 -17.929  -6.865  -1.368
  536    HZ2  TRP  64           HZ2      TRP  64 -18.402  -5.384   3.364
  537    HZ3  TRP  64           HZ3      TRP  64 -17.341  -8.336   0.495
  538    HH2  TRP  64           HH2      TRP  64 -17.588  -7.627   2.814
  539    H    GLU  65           HN       GLU  65 -17.737  -1.279  -3.761
  540    HA   GLU  65           HA       GLU  65 -18.445  -1.715  -6.451
  541   1HB   GLU  65           HB2      GLU  65 -19.015   0.388  -5.633
  542   2HB   GLU  65           HB1      GLU  65 -17.440   0.631  -4.893
  543   1HG   GLU  65           HG2      GLU  65 -16.443   0.909  -7.102
  544   2HG   GLU  65           HG1      GLU  65 -18.024   0.675  -7.844
  545    H    HIS  66           HN       HIS  66 -15.397  -0.718  -4.943
  546    HA   HIS  66           HA       HIS  66 -13.957  -1.385  -7.385
  547   1HB   HIS  66           HB2      HIS  66 -11.932  -0.529  -6.112
  548   2HB   HIS  66           HB1      HIS  66 -13.179   0.653  -6.506
  549    HD1  HIS  66           HD1      HIS  66 -13.521   2.234  -4.651
  550    HD2  HIS  66           HD2      HIS  66 -12.543  -1.577  -3.300
  551    HE1  HIS  66           HE1      HIS  66 -13.339   2.432  -2.152
  552    HE2  HIS  66           HE2      HIS  66 -12.507   0.182  -1.384
  553    H    LEU  67           HN       LEU  67 -15.040  -3.067  -4.831
  554    HA   LEU  67           HA       LEU  67 -12.981  -4.814  -4.123
  555   1HB   LEU  67           HB2      LEU  67 -15.056  -4.986  -2.985
  556   2HB   LEU  67           HB1      LEU  67 -15.942  -5.209  -4.480
  557    HG   LEU  67           HG       LEU  67 -14.847  -7.436  -4.739
  558   1HD1  LEU  67          3HD1      LEU  67 -12.863  -7.006  -3.398
  559   2HD1  LEU  67          2HD1      LEU  67 -13.859  -6.881  -1.948
  560   3HD1  LEU  67          1HD1      LEU  67 -13.737  -8.418  -2.803
  561   1HD2  LEU  67          3HD2      LEU  67 -17.085  -7.235  -3.793
  562   2HD2  LEU  67          2HD2      LEU  67 -16.189  -8.549  -3.027
  563   3HD2  LEU  67          1HD2      LEU  67 -16.395  -7.012  -2.185
  564    H    ASN  68           HN       ASN  68 -14.498  -4.274  -7.074
  565    HA   ASN  68           HA       ASN  68 -14.083  -6.953  -8.115
  566   1HB   ASN  68           HB2      ASN  68 -15.112  -4.485  -9.545
  567   2HB   ASN  68           HB1      ASN  68 -15.279  -6.163 -10.070
  568   1HD2  ASN  68          1HD2      ASN  68 -16.394  -3.716  -7.871
  569   2HD2  ASN  68          2HD2      ASN  68 -17.754  -4.584  -7.222
  570    H    GLU  69           HN       GLU  69 -12.102  -4.556  -7.466
  571    HA   GLU  69           HA       GLU  69 -10.410  -4.883  -9.853
  572   1HB   GLU  69           HB2      GLU  69 -10.129  -2.948  -7.543
  573   2HB   GLU  69           HB1      GLU  69  -9.146  -2.970  -8.999
  574   1HG   GLU  69           HG2      GLU  69 -11.106  -2.362 -10.331
  575   2HG   GLU  69           HG1      GLU  69 -12.090  -2.342  -8.866
  576    H    ASP  70           HN       ASP  70  -8.007  -4.973  -9.286
  577    HA   ASP  70           HA       ASP  70  -7.468  -6.872  -7.171
  578   1HB   ASP  70           HB2      ASP  70  -6.239  -6.758  -9.421
  579   2HB   ASP  70           HB1      ASP  70  -5.386  -5.377  -8.761
  580    H    LEU  71           HN       LEU  71  -6.224  -6.439  -5.330
  581    HA   LEU  71           HA       LEU  71  -7.011  -4.126  -3.990
  582   1HB   LEU  71           HB2      LEU  71  -6.332  -6.236  -2.893
  583   2HB   LEU  71           HB1      LEU  71  -4.670  -5.931  -3.361
  584    HG   LEU  71           HG       LEU  71  -4.530  -4.029  -1.910
  585   1HD1  LEU  71          1HD1      LEU  71  -7.469  -4.483  -1.413
  586   2HD1  LEU  71          3HD1      LEU  71  -6.452  -3.311  -0.563
  587   3HD1  LEU  71          2HD1      LEU  71  -6.743  -3.132  -2.297
  588   1HD2  LEU  71          1HD2      LEU  71  -4.214  -6.222  -0.867
  589   2HD2  LEU  71          3HD2      LEU  71  -4.928  -5.070   0.261
  590   3HD2  LEU  71          2HD2      LEU  71  -5.937  -6.300  -0.503
  591    H    HIS  72           HN       HIS  72  -6.361  -2.100  -4.222
  592    HA   HIS  72           HA       HIS  72  -3.520  -1.565  -4.275
  593   1HB   HIS  72           HB2      HIS  72  -3.660   0.028  -6.139
  594   2HB   HIS  72           HB1      HIS  72  -3.992  -1.619  -6.646
  595    HD1  HIS  72           HD1      HIS  72  -6.505  -2.188  -7.233
  596    HD2  HIS  72           HD2      HIS  72  -5.690   1.847  -6.629
  597    HE1  HIS  72           HE1      HIS  72  -8.423  -0.946  -8.276
  598    HE2  HIS  72           HE2      HIS  72  -7.799   1.483  -8.100
  599    H    VAL  73           HN       VAL  73  -3.052   0.738  -3.835
  600    HA   VAL  73           HA       VAL  73  -5.252   1.973  -2.303
  601    HB   VAL  73           HB       VAL  73  -3.520   3.383  -1.232
  602   1HG1  VAL  73          2HG1      VAL  73  -4.271   1.341  -0.146
  603   2HG1  VAL  73          1HG1      VAL  73  -3.030   0.417  -0.994
  604   3HG1  VAL  73          3HG1      VAL  73  -2.566   1.638   0.193
  605   1HG2  VAL  73          3HG2      VAL  73  -1.564   1.633  -2.718
  606   2HG2  VAL  73          2HG2      VAL  73  -1.836   3.356  -2.983
  607   3HG2  VAL  73          1HG2      VAL  73  -1.151   2.797  -1.456
  608    H    LEU  74           HN       LEU  74  -5.854   4.105  -2.751
  609    HA   LEU  74           HA       LEU  74  -4.724   5.212  -5.224
  610   1HB   LEU  74           HB2      LEU  74  -6.809   3.744  -5.532
  611   2HB   LEU  74           HB1      LEU  74  -7.683   5.024  -4.731
  612    HG   LEU  74           HG       LEU  74  -6.098   5.460  -7.259
  613   1HD1  LEU  74          1HD1      LEU  74  -7.864   3.799  -7.631
  614   2HD1  LEU  74          3HD1      LEU  74  -9.047   4.920  -6.955
  615   3HD1  LEU  74          2HD1      LEU  74  -8.202   5.324  -8.449
  616   1HD2  LEU  74          1HD2      LEU  74  -6.586   7.464  -5.937
  617   2HD2  LEU  74          3HD2      LEU  74  -7.476   7.448  -7.460
  618   3HD2  LEU  74          2HD2      LEU  74  -8.301   7.048  -5.953
  619    H    ILE  75           HN       ILE  75  -3.986   7.112  -4.664
  620    HA   ILE  75           HA       ILE  75  -5.502   8.802  -2.868
  621    HB   ILE  75           HB       ILE  75  -3.733  10.522  -3.837
  622   1HG1  ILE  75          2HG1      ILE  75  -2.225   7.952  -4.154
  623   2HG1  ILE  75          1HG1      ILE  75  -2.989   8.766  -5.515
  624   1HG2  ILE  75          3HG2      ILE  75  -3.925   9.824  -1.514
  625   2HG2  ILE  75          2HG2      ILE  75  -2.986   8.375  -1.882
  626   3HG2  ILE  75          1HG2      ILE  75  -2.241   9.970  -2.022
  627   1HD1  ILE  75          2HD1      ILE  75  -1.647  10.779  -4.994
  628   2HD1  ILE  75          1HD1      ILE  75  -0.808   9.840  -3.754
  629   3HD1  ILE  75          3HD1      ILE  75  -0.689   9.362  -5.450
  630    H    THR  76           HN       THR  76  -7.320   9.520  -3.641
  631    HA   THR  76           HA       THR  76  -7.509  10.425  -6.422
  632    HB   THR  76           HB       THR  76  -9.940  10.689  -4.876
  633    HG1  THR  76           HG1      THR  76  -9.350   9.001  -3.589
  634   1HG2  THR  76          3HG2      THR  76  -9.830  10.519  -7.300
  635   2HG2  THR  76          2HG2      THR  76  -9.163   8.891  -7.161
  636   3HG2  THR  76          1HG2      THR  76 -10.811   9.220  -6.622
  637    H    VAL  77           HN       VAL  77  -6.853  12.491  -6.620
  638    HA   VAL  77           HA       VAL  77  -7.866  14.411  -4.649
  639    HB   VAL  77           HB       VAL  77  -5.463  14.381  -4.560
  640   1HG1  VAL  77          1HG1      VAL  77  -5.507  14.756  -7.550
  641   2HG1  VAL  77          3HG1      VAL  77  -4.066  14.840  -6.535
  642   3HG1  VAL  77          2HG1      VAL  77  -4.961  13.324  -6.674
  643   1HG2  VAL  77          2HG2      VAL  77  -6.541  16.594  -4.468
  644   2HG2  VAL  77          1HG2      VAL  77  -4.910  16.658  -5.138
  645   3HG2  VAL  77          3HG2      VAL  77  -6.305  16.758  -6.212
  646    H    GLU  78           HN       GLU  78  -9.342  15.786  -5.394
  647    HA   GLU  78           HA       GLU  78  -9.763  16.101  -8.219
  648   1HB   GLU  78           HB2      GLU  78 -10.906  17.646  -5.876
  649   2HB   GLU  78           HB1      GLU  78 -11.468  17.752  -7.543
  650   1HG   GLU  78           HG2      GLU  78 -12.075  15.371  -7.472
  651   2HG   GLU  78           HG1      GLU  78 -11.567  15.309  -5.785
  652    H    ASP  79           HN       ASP  79  -8.082  17.006  -9.205
  653    HA   ASP  79           HA       ASP  79  -6.077  18.277  -7.725
  654   1HB   ASP  79           HB2      ASP  79  -4.954  18.568  -9.920
  655   2HB   ASP  79           HB1      ASP  79  -5.532  16.928  -9.640
  656    H    ALA  80           HN       ALA  80  -5.920  20.237  -7.071
  657    HA   ALA  80           HA       ALA  80  -7.120  22.424  -8.591
  658   1HB   ALA  80           HB2      ALA  80  -5.819  22.413  -5.865
  659   2HB   ALA  80           HB1      ALA  80  -6.597  23.800  -6.630
  660   3HB   ALA  80           HB3      ALA  80  -7.554  22.386  -6.184
  661    H    GLN  81           HN       GLN  81  -4.052  21.171  -7.391
  662    HA   GLN  81           HA       GLN  81  -2.535  22.410  -9.430
  663   1HB   GLN  81           HB2      GLN  81  -3.148  24.349  -7.887
  664   2HB   GLN  81           HB1      GLN  81  -2.121  23.591  -6.682
  665   1HG   GLN  81           HG2      GLN  81  -0.184  23.916  -7.998
  666   2HG   GLN  81           HG1      GLN  81  -1.139  24.386  -9.406
  667   1HE2  GLN  81          1HE2      GLN  81  -2.022  26.424  -9.513
  668   2HE2  GLN  81          2HE2      GLN  81  -1.551  27.705  -8.442
  669    H    ASN  82           HN       ASN  82  -0.103  22.262  -8.842
  670    HA   ASN  82           HA       ASN  82   0.587  19.636  -8.324
  671   1HB   ASN  82           HB2      ASN  82   2.339  22.072  -7.935
  672   2HB   ASN  82           HB1      ASN  82   2.908  20.416  -8.080
  673   1HD2  ASN  82          1HD2      ASN  82   4.089  20.618  -9.890
  674   2HD2  ASN  82          2HD2      ASN  82   3.440  21.045 -11.438
  675    H    ARG  83           HN       ARG  83   0.399  22.369  -6.100
  676    HA   ARG  83           HA       ARG  83   1.663  21.235  -3.901
  677   1HB   ARG  83           HB2      ARG  83  -0.503  23.298  -4.132
  678   2HB   ARG  83           HB1      ARG  83   0.024  22.733  -2.554
  679   1HG   ARG  83           HG2      ARG  83   1.246  24.685  -2.957
  680   2HG   ARG  83           HG1      ARG  83   2.371  23.366  -3.271
  681   1HD   ARG  83           HD2      ARG  83   1.752  23.585  -5.709
  682   2HD   ARG  83           HD1      ARG  83   0.910  25.072  -5.273
  683    HE   ARG  83           HE       ARG  83   3.763  24.754  -4.626
  684   1HH1  ARG  83          1HH1      ARG  83   1.200  26.453  -6.325
  685   2HH1  ARG  83          2HH1      ARG  83   2.250  27.719  -6.884
  686   1HH2  ARG  83          1HH2      ARG  83   5.129  26.430  -5.374
  687   2HH2  ARG  83          2HH2      ARG  83   4.467  27.704  -6.348
  688    H    ALA  84           HN       ALA  84  -1.622  20.802  -5.089
  689    HA   ALA  84           HA       ALA  84  -2.610  19.404  -2.847
  690   1HB   ALA  84           HB2      ALA  84  -3.472  19.252  -5.740
  691   2HB   ALA  84           HB1      ALA  84  -4.349  18.532  -4.388
  692   3HB   ALA  84           HB3      ALA  84  -4.167  20.286  -4.489
  693    H    GLU  85           HN       GLU  85  -1.584  18.156  -6.035
  694    HA   GLU  85           HA       GLU  85  -1.740  15.458  -5.217
  695   1HB   GLU  85           HB2      GLU  85  -0.546  14.887  -7.238
  696   2HB   GLU  85           HB1      GLU  85  -1.753  16.118  -7.582
  697   1HG   GLU  85           HG2      GLU  85  -0.097  17.818  -7.732
  698   2HG   GLU  85           HG1      GLU  85   1.153  16.736  -7.122
  699    H    LEU  86           HN       LEU  86   0.854  17.788  -5.044
  700    HA   LEU  86           HA       LEU  86   2.998  16.058  -4.535
  701   1HB   LEU  86           HB2      LEU  86   3.020  18.558  -5.036
  702   2HB   LEU  86           HB1      LEU  86   2.646  18.801  -3.345
  703    HG   LEU  86           HG       LEU  86   4.743  17.713  -2.701
  704   1HD1  LEU  86          3HD1      LEU  86   5.220  17.521  -5.671
  705   2HD1  LEU  86          2HD1      LEU  86   6.428  17.216  -4.423
  706   3HD1  LEU  86          1HD1      LEU  86   5.009  16.177  -4.550
  707   1HD2  LEU  86          3HD2      LEU  86   5.073  19.924  -4.724
  708   2HD2  LEU  86          2HD2      LEU  86   4.702  20.122  -3.010
  709   3HD2  LEU  86          1HD2      LEU  86   6.260  19.459  -3.505
  710    H    LYS  87           HN       LYS  87   0.619  17.528  -2.403
  711    HA   LYS  87           HA       LYS  87   1.899  16.755   0.017
  712   1HB   LYS  87           HB2      LYS  87   0.206  18.627  -0.353
  713   2HB   LYS  87           HB1      LYS  87  -1.030  17.377  -0.331
  714   1HG   LYS  87           HG2      LYS  87  -0.467  16.787   1.925
  715   2HG   LYS  87           HG1      LYS  87   0.904  17.901   1.914
  716   1HD   LYS  87           HD2      LYS  87  -0.671  19.772   1.555
  717   2HD   LYS  87           HD1      LYS  87  -2.013  18.633   1.680
  718   1HE   LYS  87           HE2      LYS  87  -1.695  19.760   3.793
  719   2HE   LYS  87           HE1      LYS  87  -1.281  18.055   3.956
  720   1HZ   LYS  87           HZ3      LYS  87   0.671  20.264   3.577
  721   2HZ   LYS  87           HZ2      LYS  87   0.325  19.504   5.053
  722   3HZ   LYS  87           HZ1      LYS  87   1.050  18.624   3.797
  723    H    LEU  88           HN       LEU  88  -0.795  15.408  -1.866
  724    HA   LEU  88           HA       LEU  88  -1.237  13.250  -0.055
  725   1HB   LEU  88           HB2      LEU  88  -2.515  12.287  -2.072
  726   2HB   LEU  88           HB1      LEU  88  -3.111  13.721  -1.260
  727    HG   LEU  88           HG       LEU  88  -1.443  14.622  -3.340
  728   1HD1  LEU  88          1HD1      LEU  88  -1.648  12.403  -4.340
  729   2HD1  LEU  88          3HD1      LEU  88  -3.405  12.522  -4.242
  730   3HD1  LEU  88          2HD1      LEU  88  -2.503  13.620  -5.290
  731   1HD2  LEU  88          1HD2      LEU  88  -4.439  14.509  -3.065
  732   2HD2  LEU  88          3HD2      LEU  88  -3.381  15.765  -2.421
  733   3HD2  LEU  88          2HD2      LEU  88  -3.547  15.560  -4.165
  734    H    LYS  89           HN       LYS  89   0.743  13.621  -2.945
  735    HA   LYS  89           HA       LYS  89   1.212  10.847  -3.255
  736   1HB   LYS  89           HB2      LYS  89   2.931  11.407  -4.825
  737   2HB   LYS  89           HB1      LYS  89   1.580  12.498  -5.069
  738   1HG   LYS  89           HG2      LYS  89   3.322  13.941  -5.244
  739   2HG   LYS  89           HG1      LYS  89   2.977  14.080  -3.521
  740   1HD   LYS  89           HD2      LYS  89   5.262  13.834  -3.514
  741   2HD   LYS  89           HD1      LYS  89   4.740  12.166  -3.301
  742   1HE   LYS  89           HE2      LYS  89   5.547  13.436  -5.919
  743   2HE   LYS  89           HE1      LYS  89   6.565  12.383  -4.944
  744   1HZ   LYS  89           HZ2      LYS  89   4.736  10.666  -5.243
  745   2HZ   LYS  89           HZ1      LYS  89   4.110  11.675  -6.451
  746   3HZ   LYS  89           HZ3      LYS  89   5.670  11.028  -6.608
  747    H    ARG  90           HN       ARG  90   2.837  13.328  -1.347
  748    HA   ARG  90           HA       ARG  90   4.993  11.625  -0.592
  749   1HB   ARG  90           HB2      ARG  90   5.643  13.301   0.961
  750   2HB   ARG  90           HB1      ARG  90   5.018  14.146  -0.440
  751   1HG   ARG  90           HG2      ARG  90   4.063  15.364   1.231
  752   2HG   ARG  90           HG1      ARG  90   2.794  14.166   0.970
  753   1HD   ARG  90           HD2      ARG  90   3.785  12.812   2.808
  754   2HD   ARG  90           HD1      ARG  90   4.913  14.128   3.115
  755    HE   ARG  90           HE       ARG  90   2.277  15.120   3.193
  756   1HH1  ARG  90          1HH1      ARG  90   4.507  13.143   5.013
  757   2HH1  ARG  90          2HH1      ARG  90   3.712  13.396   6.539
  758   1HH2  ARG  90          1HH2      ARG  90   1.215  15.484   5.203
  759   2HH2  ARG  90          2HH2      ARG  90   1.852  14.759   6.652
  760    H    ALA  91           HN       ALA  91   1.816  12.314   0.763
  761    HA   ALA  91           HA       ALA  91   2.157  10.807   3.146
  762   1HB   ALA  91           HB3      ALA  91  -0.392  11.474   1.683
  763   2HB   ALA  91           HB2      ALA  91  -0.250  10.969   3.366
  764   3HB   ALA  91           HB1      ALA  91   0.415  12.519   2.852
  765    H    VAL  92           HN       VAL  92   0.811  10.065  -0.028
  766    HA   VAL  92           HA       VAL  92   0.113   7.396   0.584
  767    HB   VAL  92           HB       VAL  92  -0.617   8.954  -1.399
  768   1HG1  VAL  92          3HG1      VAL  92   1.711   7.466  -2.607
  769   2HG1  VAL  92          2HG1      VAL  92   0.472   8.328  -3.520
  770   3HG1  VAL  92          1HG1      VAL  92   1.547   9.213  -2.434
  771   1HG2  VAL  92          3HG2      VAL  92  -0.248   5.974  -1.674
  772   2HG2  VAL  92          2HG2      VAL  92  -1.595   6.801  -0.892
  773   3HG2  VAL  92          1HG2      VAL  92  -1.352   6.961  -2.631
  774    H    GLU  93           HN       GLU  93   3.068   8.937  -0.399
  775    HA   GLU  93           HA       GLU  93   4.532   6.639  -1.102
  776   1HB   GLU  93           HB2      GLU  93   5.099   9.430  -0.442
  777   2HB   GLU  93           HB1      GLU  93   6.382   8.330   0.044
  778   1HG   GLU  93           HG2      GLU  93   5.295   7.989  -2.680
  779   2HG   GLU  93           HG1      GLU  93   6.252   9.443  -2.372
  780    H    GLU  94           HN       GLU  94   3.805   8.136   2.007
  781    HA   GLU  94           HA       GLU  94   5.368   6.464   3.634
  782   1HB   GLU  94           HB2      GLU  94   2.584   7.426   4.316
  783   2HB   GLU  94           HB1      GLU  94   3.887   7.045   5.434
  784   1HG   GLU  94           HG2      GLU  94   3.859   9.343   3.490
  785   2HG   GLU  94           HG1      GLU  94   3.521   9.451   5.215
  786    H    VAL  95           HN       VAL  95   2.085   6.089   2.329
  787    HA   VAL  95           HA       VAL  95   1.608   3.483   3.284
  788    HB   VAL  95           HB       VAL  95   0.580   4.899   0.832
  789   1HG1  VAL  95          1HG1      VAL  95  -0.014   2.091   1.776
  790   2HG1  VAL  95          3HG1      VAL  95  -1.090   3.002   0.707
  791   3HG1  VAL  95          2HG1      VAL  95   0.552   2.615   0.189
  792   1HG2  VAL  95          2HG2      VAL  95  -0.213   5.710   3.000
  793   2HG2  VAL  95          1HG2      VAL  95  -1.515   4.952   2.084
  794   3HG2  VAL  95          3HG2      VAL  95  -0.751   4.084   3.417
  795    H    LYS  96           HN       LYS  96   3.293   4.631   0.409
  796    HA   LYS  96           HA       LYS  96   3.604   2.184  -0.865
  797   1HB   LYS  96           HB2      LYS  96   5.194   4.711  -0.933
  798   2HB   LYS  96           HB1      LYS  96   5.728   3.289  -1.822
  799   1HG   LYS  96           HG2      LYS  96   3.545   3.217  -2.967
  800   2HG   LYS  96           HG1      LYS  96   3.086   4.697  -2.126
  801   1HD   LYS  96           HD2      LYS  96   3.861   5.128  -4.416
  802   2HD   LYS  96           HD1      LYS  96   4.883   5.905  -3.205
  803   1HE   LYS  96           HE2      LYS  96   6.191   4.866  -5.009
  804   2HE   LYS  96           HE1      LYS  96   6.541   4.166  -3.433
  805   1HZ   LYS  96           HZ2      LYS  96   4.736   2.962  -5.466
  806   2HZ   LYS  96           HZ1      LYS  96   6.343   2.493  -5.180
  807   3HZ   LYS  96           HZ3      LYS  96   5.173   2.283  -3.976
  808    H    LYS  97           HN       LYS  97   5.377   3.493   1.861
  809    HA   LYS  97           HA       LYS  97   7.375   1.420   1.801
  810   1HB   LYS  97           HB2      LYS  97   7.755   3.631   2.874
  811   2HB   LYS  97           HB1      LYS  97   6.550   3.222   4.084
  812   1HG   LYS  97           HG2      LYS  97   8.635   2.828   5.096
  813   2HG   LYS  97           HG1      LYS  97   8.000   1.237   4.680
  814   1HD   LYS  97           HD2      LYS  97   9.824   2.669   2.788
  815   2HD   LYS  97           HD1      LYS  97  10.491   1.817   4.176
  816   1HE   LYS  97           HE2      LYS  97   8.730   0.587   2.056
  817   2HE   LYS  97           HE1      LYS  97  10.487   0.456   2.121
  818   1HZ   LYS  97           HZ2      LYS  97  10.204  -0.601   4.346
  819   2HZ   LYS  97           HZ1      LYS  97   8.533  -0.640   4.065
  820   3HZ   LYS  97           HZ3      LYS  97   9.588  -1.509   3.062
  821    H    LEU  98           HN       LEU  98   4.228   1.910   3.222
  822    HA   LEU  98           HA       LEU  98   4.380  -0.364   4.983
  823   1HB   LEU  98           HB2      LEU  98   2.300   1.643   4.268
  824   2HB   LEU  98           HB1      LEU  98   1.786   0.144   5.012
  825    HG   LEU  98           HG       LEU  98   3.148   0.617   6.980
  826   1HD1  LEU  98          3HD1      LEU  98   4.966   1.847   5.904
  827   2HD1  LEU  98          2HD1      LEU  98   3.874   3.202   5.611
  828   3HD1  LEU  98          1HD1      LEU  98   4.287   2.742   7.264
  829   1HD2  LEU  98          3HD2      LEU  98   1.385   2.914   6.148
  830   2HD2  LEU  98          2HD2      LEU  98   0.869   1.425   6.940
  831   3HD2  LEU  98          1HD2      LEU  98   1.902   2.567   7.800
  832    H    LEU  99           HN       LEU  99   2.940   0.283   1.809
  833    HA   LEU  99           HA       LEU  99   1.507  -2.170   1.725
  834   1HB   LEU  99           HB2      LEU  99   1.182  -1.669  -0.687
  835   2HB   LEU  99           HB1      LEU  99   0.637  -0.431   0.422
  836    HG   LEU  99           HG       LEU  99   2.719   0.850  -0.078
  837   1HD1  LEU  99          2HD1      LEU  99   3.031  -1.194  -2.269
  838   2HD1  LEU  99          1HD1      LEU  99   3.931   0.318  -2.142
  839   3HD1  LEU  99          3HD1      LEU  99   4.129  -0.932  -0.914
  840   1HD2  LEU  99          1HD2      LEU  99   0.589   1.402  -1.106
  841   2HD2  LEU  99          3HD2      LEU  99   1.919   1.675  -2.232
  842   3HD2  LEU  99          2HD2      LEU  99   0.899   0.244  -2.399
  843    H    VAL 100           HN       VAL 100   4.678  -1.885   1.849
  844    HA   VAL 100           HA       VAL 100   5.467  -3.713  -0.215
  845    HB   VAL 100           HB       VAL 100   6.892  -2.890   2.322
  846   1HG1  VAL 100          1HG1      VAL 100   7.948  -4.371  -0.084
  847   2HG1  VAL 100          3HG1      VAL 100   8.920  -3.778   1.261
  848   3HG1  VAL 100          2HG1      VAL 100   7.716  -5.038   1.533
  849   1HG2  VAL 100          3HG2      VAL 100   7.198  -1.939  -0.520
  850   2HG2  VAL 100          2HG2      VAL 100   6.543  -1.017   0.832
  851   3HG2  VAL 100          1HG2      VAL 100   8.243  -1.481   0.823
  852    HA   PRO 101           HA       PRO 101   3.777  -7.293   1.843
  853   1HB   PRO 101           HB2      PRO 101   4.773  -9.142   0.164
  854   2HB   PRO 101           HB1      PRO 101   3.469  -8.046  -0.313
  855   1HG   PRO 101           HG2      PRO 101   6.421  -7.788  -0.819
  856   2HG   PRO 101           HG1      PRO 101   5.083  -7.658  -1.981
  857   1HD   PRO 101           HD2      PRO 101   6.206  -5.478  -0.936
  858   2HD   PRO 101           HD1      PRO 101   4.450  -5.566  -1.202
  859    H    ALA 102           HN       ALA 102   6.566  -6.196   2.476
  860    HA   ALA 102           HA       ALA 102   8.382  -8.170   3.077
  861   1HB   ALA 102           HB1      ALA 102   9.197  -6.683   4.836
  862   2HB   ALA 102           HB3      ALA 102   8.806  -5.775   3.375
  863   3HB   ALA 102           HB2      ALA 102   7.702  -5.750   4.750
  864    H    ALA 103           HN       ALA 103   7.702 -10.092   3.880
  865    HA   ALA 103           HA       ALA 103   5.904 -10.201   6.130
  866   1HB   ALA 103           HB2      ALA 103   7.357 -12.443   4.743
  867   2HB   ALA 103           HB3      ALA 103   5.744 -11.861   4.320
  868   3HB   ALA 103           HB1      ALA 103   6.030 -12.607   5.894
  869    H    GLU 104           HN       GLU 104   9.223 -10.067   5.542
  870    HA   GLU 104           HA       GLU 104   9.782 -10.441   8.384
  871   1HB   GLU 104           HB2      GLU 104  11.777 -11.764   7.915
  872   2HB   GLU 104           HB1      GLU 104  10.353 -12.569   7.275
  873   1HG   GLU 104           HG2      GLU 104  10.921 -11.645   5.035
  874   2HG   GLU 104           HG1      GLU 104  12.424 -11.033   5.726
  875    H    GLY 105           HN       GLY 105  12.405  -9.912   8.487
  876   1HA   GLY 105           HA1      GLY 105  14.009  -8.272   8.293
  877   2HA   GLY 105           HA2      GLY 105  12.651  -7.167   8.122
  878    H    GLU 106           HN       GLU 106  12.812  -5.950   6.367
  879    HA   GLU 106           HA       GLU 106  12.723  -6.936   3.802
  880   1HB   GLU 106           HB2      GLU 106  13.663  -4.215   4.695
  881   2HB   GLU 106           HB1      GLU 106  13.214  -4.634   3.048
  882   1HG   GLU 106           HG2      GLU 106  10.941  -5.210   3.885
  883   2HG   GLU 106           HG1      GLU 106  11.421  -4.594   5.464
  884    H    ASP 107           HN       ASP 107  14.129  -7.511   2.275
  885    HA   ASP 107           HA       ASP 107  16.790  -8.122   2.985
  886   1HB   ASP 107           HB2      ASP 107  17.058  -8.716   0.570
  887   2HB   ASP 107           HB1      ASP 107  15.690  -9.496   1.355
  888    H    SER 108           HN       SER 108  15.349  -5.321   1.653
  889    HA   SER 108           HA       SER 108  17.599  -4.144   0.445
  890   1HB   SER 108           HB2      SER 108  15.202  -3.371   0.262
  891   2HB   SER 108           HB1      SER 108  15.363  -2.704   1.884
  892    HG   SER 108           HG       SER 108  16.994  -1.335   1.110
  893    H    LEU 109           HN       LEU 109  16.608  -4.498   3.738
  894    HA   LEU 109           HA       LEU 109  18.196  -2.466   4.893
  895   1HB   LEU 109           HB2      LEU 109  17.184  -5.046   6.092
  896   2HB   LEU 109           HB1      LEU 109  17.809  -3.681   6.999
  897    HG   LEU 109           HG       LEU 109  15.418  -3.406   5.195
  898   1HD1  LEU 109          3HD1      LEU 109  15.503  -4.314   8.062
  899   2HD1  LEU 109          2HD1      LEU 109  14.066  -3.630   7.301
  900   3HD1  LEU 109          1HD1      LEU 109  14.762  -5.131   6.680
  901   1HD2  LEU 109          3HD2      LEU 109  16.523  -1.351   5.901
  902   2HD2  LEU 109          2HD2      LEU 109  14.933  -1.503   6.647
  903   3HD2  LEU 109          1HD2      LEU 109  16.383  -1.847   7.588
  904    H    LYS 110           HN       LYS 110  18.775  -5.826   4.073
  905    HA   LYS 110           HA       LYS 110  21.393  -5.840   5.318
  906   1HB   LYS 110           HB2      LYS 110  20.113  -7.944   3.564
  907   2HB   LYS 110           HB1      LYS 110  21.531  -8.147   4.583
  908   1HG   LYS 110           HG2      LYS 110  20.145  -7.770   6.571
  909   2HG   LYS 110           HG1      LYS 110  18.726  -7.612   5.531
  910   1HD   LYS 110           HD2      LYS 110  19.113  -9.904   4.703
  911   2HD   LYS 110           HD1      LYS 110  20.480 -10.052   5.808
  912   1HE   LYS 110           HE2      LYS 110  17.592  -9.625   6.565
  913   2HE   LYS 110           HE1      LYS 110  18.518 -11.112   6.756
  914   1HZ   LYS 110           HZ1      LYS 110  20.017  -9.865   8.266
  915   2HZ   LYS 110           HZ3      LYS 110  18.959  -8.539   8.171
  916   3HZ   LYS 110           HZ2      LYS 110  18.425  -9.999   8.843
  917    H    LYS 111           HN       LYS 111  20.015  -5.979   2.057
  918    HA   LYS 111           HA       LYS 111  22.437  -6.316   0.674
  919   1HB   LYS 111           HB2      LYS 111  20.014  -6.620  -0.146
  920   2HB   LYS 111           HB1      LYS 111  20.050  -4.892  -0.471
  921   1HG   LYS 111           HG2      LYS 111  20.562  -6.013  -2.494
  922   2HG   LYS 111           HG1      LYS 111  22.060  -5.291  -1.901
  923   1HD   LYS 111           HD2      LYS 111  22.801  -7.419  -1.044
  924   2HD   LYS 111           HD1      LYS 111  21.255  -8.163  -1.457
  925   1HE   LYS 111           HE2      LYS 111  21.707  -7.681  -3.837
  926   2HE   LYS 111           HE1      LYS 111  23.288  -7.048  -3.382
  927   1HZ   LYS 111           HZ1      LYS 111  22.372  -9.819  -2.832
  928   2HZ   LYS 111           HZ3      LYS 111  23.335  -9.375  -4.155
  929   3HZ   LYS 111           HZ2      LYS 111  23.928  -9.196  -2.579
  930    H    MET 112           HN       MET 112  20.686  -3.433   1.690
  931    HA   MET 112           HA       MET 112  22.375  -1.603   0.320
  932   1HB   MET 112           HB2      MET 112  20.416  -1.267   2.576
  933   2HB   MET 112           HB1      MET 112  21.388   0.072   1.985
  934   1HG   MET 112           HG2      MET 112  20.414  -0.093  -0.190
  935   2HG   MET 112           HG1      MET 112  19.564  -1.574   0.251
  936   1HE   MET 112           HE2      MET 112  19.856   2.285   0.741
  937   2HE   MET 112           HE1      MET 112  18.608   2.619   1.939
  938   3HE   MET 112           HE3      MET 112  20.050   1.716   2.399
  939    H    LYS 113           HN       LYS 113  22.524  -3.166   3.449
  940    HA   LYS 113           HA       LYS 113  24.590  -1.481   4.476
  941   1HB   LYS 113           HB2      LYS 113  23.025  -3.166   5.722
  942   2HB   LYS 113           HB1      LYS 113  24.239  -4.354   5.286
  943   1HG   LYS 113           HG2      LYS 113  25.068  -1.856   6.695
  944   2HG   LYS 113           HG1      LYS 113  24.316  -3.164   7.603
  945   1HD   LYS 113           HD2      LYS 113  26.372  -4.013   7.792
  946   2HD   LYS 113           HD1      LYS 113  26.222  -4.461   6.094
  947   1HE   LYS 113           HE2      LYS 113  27.281  -2.381   5.424
  948   2HE   LYS 113           HE1      LYS 113  27.369  -1.860   7.110
  949   1HZ   LYS 113           HZ3      LYS 113  28.723  -4.261   5.996
  950   2HZ   LYS 113           HZ2      LYS 113  29.474  -2.772   6.285
  951   3HZ   LYS 113           HZ1      LYS 113  28.864  -3.679   7.582
  952    H    LEU 114           HN       LEU 114  24.498  -4.372   2.499
  953    HA   LEU 114           HA       LEU 114  27.328  -4.791   2.664
  954   1HB   LEU 114           HB2      LEU 114  25.273  -6.001   0.815
  955   2HB   LEU 114           HB1      LEU 114  26.928  -6.552   0.986
  956    HG   LEU 114           HG       LEU 114  24.873  -6.597   3.197
  957   1HD1  LEU 114          2HD1      LEU 114  24.284  -8.133   1.397
  958   2HD1  LEU 114          1HD1      LEU 114  25.896  -8.841   1.465
  959   3HD1  LEU 114          3HD1      LEU 114  24.803  -9.004   2.838
  960   1HD2  LEU 114          1HD2      LEU 114  27.635  -7.789   3.010
  961   2HD2  LEU 114          3HD2      LEU 114  27.158  -6.419   4.012
  962   3HD2  LEU 114          2HD2      LEU 114  26.500  -8.022   4.339
  963    H    MET 115           HN       MET 115  25.146  -3.970  -0.048
  964    HA   MET 115           HA       MET 115  27.500  -3.278  -1.633
  965   1HB   MET 115           HB2      MET 115  25.865  -4.800  -2.620
  966   2HB   MET 115           HB1      MET 115  24.606  -3.586  -2.447
  967   1HG   MET 115           HG2      MET 115  25.826  -2.118  -3.984
  968   2HG   MET 115           HG1      MET 115  27.060  -3.363  -4.176
  969   1HE   MET 115           HE3      MET 115  23.362  -2.315  -4.837
  970   2HE   MET 115           HE2      MET 115  22.690  -3.748  -5.613
  971   3HE   MET 115           HE1      MET 115  23.130  -3.795  -3.906
  972    H    GLU 116           HN       GLU 116  24.439  -1.800  -0.604
  973    HA   GLU 116           HA       GLU 116  24.859   0.555  -2.136
  974   1HB   GLU 116           HB2      GLU 116  22.918   0.067   0.109
  975   2HB   GLU 116           HB1      GLU 116  22.863   1.408  -1.028
  976   1HG   GLU 116           HG2      GLU 116  22.663  -1.488  -1.816
  977   2HG   GLU 116           HG1      GLU 116  21.277  -0.439  -1.530
  978    H    LEU 117           HN       LEU 117  26.044  -0.493   0.822
  979    HA   LEU 117           HA       LEU 117  26.198   1.987   2.222
  980   1HB   LEU 117           HB2      LEU 117  26.386  -0.485   3.064
  981   2HB   LEU 117           HB1      LEU 117  28.077  -0.317   2.653
  982    HG   LEU 117           HG       LEU 117  27.590   0.025   5.057
  983   1HD1  LEU 117          2HD1      LEU 117  28.661   2.455   3.626
  984   2HD1  LEU 117          1HD1      LEU 117  28.902   2.071   5.331
  985   3HD1  LEU 117          3HD1      LEU 117  29.581   1.023   4.086
  986   1HD2  LEU 117          3HD2      LEU 117  25.394   1.065   4.836
  987   2HD2  LEU 117          2HD2      LEU 117  26.483   2.083   5.779
  988   3HD2  LEU 117          1HD2      LEU 117  26.131   2.488   4.098
  989    H    ALA 118           HN       ALA 118  28.613   0.002   0.576
  990    HA   ALA 118           HA       ALA 118  29.966   1.956  -0.809
  991   1HB   ALA 118           HB2      ALA 118  31.242   1.425   1.879
  992   2HB   ALA 118           HB3      ALA 118  30.564   2.961   1.337
  993   3HB   ALA 118           HB1      ALA 118  31.993   2.299   0.543
  994    H    ILE 119           HN       ILE 119  29.878  -1.028   0.876
  995    HA   ILE 119           HA       ILE 119  30.603  -3.109   0.427
  996    HB   ILE 119           HB       ILE 119  31.909  -2.069  -2.083
  997   1HG1  ILE 119          2HG1      ILE 119  29.100  -3.149  -1.718
  998   2HG1  ILE 119          1HG1      ILE 119  29.502  -1.463  -2.039
  999   1HG2  ILE 119          1HG2      ILE 119  32.588  -4.290  -1.329
 1000   2HG2  ILE 119          3HG2      ILE 119  30.897  -4.784  -1.260
 1001   3HG2  ILE 119          2HG2      ILE 119  31.640  -4.393  -2.813
 1002   1HD1  ILE 119          1HD1      ILE 119  30.472  -2.144  -4.200
 1003   2HD1  ILE 119          3HD1      ILE 119  29.966  -3.802  -3.878
 1004   3HD1  ILE 119          2HD1      ILE 119  28.759  -2.529  -4.059
 1005    H    LEU 120           HN       LEU 120  32.973  -0.631  -0.364
 1006    HA   LEU 120           HA       LEU 120  35.173  -0.425  -0.159
 1007   1HB   LEU 120           HB2      LEU 120  34.044  -0.700   2.226
 1008   2HB   LEU 120           HB1      LEU 120  35.242  -1.986   2.329
 1009    HG   LEU 120           HG       LEU 120  36.156   0.087   3.256
 1010   1HD1  LEU 120          2HD1      LEU 120  37.693  -1.416   2.088
 1011   2HD1  LEU 120          1HD1      LEU 120  37.369  -0.576   0.571
 1012   3HD1  LEU 120          3HD1      LEU 120  38.171   0.271   1.895
 1013   1HD2  LEU 120          2HD2      LEU 120  35.428   1.208   0.556
 1014   2HD2  LEU 120          1HD2      LEU 120  34.817   1.706   2.131
 1015   3HD2  LEU 120          3HD2      LEU 120  36.500   2.020   1.703
 1016    H    ASN 121           HN       ASN 121  36.521  -1.321  -1.435
 1017    HA   ASN 121           HA       ASN 121  37.568  -3.950  -1.034
 1018   1HB   ASN 121           HB2      ASN 121  36.829  -4.922  -3.131
 1019   2HB   ASN 121           HB1      ASN 121  35.415  -4.430  -2.208
 1020   1HD2  ASN 121          1HD2      ASN 121  34.271  -2.534  -2.867
 1021   2HD2  ASN 121          2HD2      ASN 121  34.378  -1.986  -4.504
 1022    H    GLY 122           HN       GLY 122  38.635  -4.302  -3.617
 1023   1HA   GLY 122           HA1      GLY 122  40.456  -3.672  -4.841
 1024   2HA   GLY 122           HA2      GLY 122  40.907  -2.696  -3.458
 1025    H    THR 123           HN       THR 123  37.882  -1.958  -4.999
 1026    HA   THR 123           HA       THR 123  38.808  -0.148  -6.950
 1027    HB   THR 123           HB       THR 123  36.191   0.021  -5.448
 1028    HG1  THR 123           HG1      THR 123  37.139  -1.845  -7.221
 1029   1HG2  THR 123          2HG2      THR 123  36.713   1.980  -6.833
 1030   2HG2  THR 123          1HG2      THR 123  36.970   0.926  -8.223
 1031   3HG2  THR 123          3HG2      THR 123  35.365   1.062  -7.504
 1032    H    TYR 124           HN       TYR 124  37.449   0.544  -3.716
 1033    HA   TYR 124           HA       TYR 124  39.086   2.985  -3.624
 1034   1HB   TYR 124           HB2      TYR 124  36.140   2.766  -3.009
 1035   2HB   TYR 124           HB1      TYR 124  37.138   4.087  -2.419
 1036    HD1  TYR 124           HD1      TYR 124  34.976   3.083  -4.966
 1037    HD2  TYR 124           HD2      TYR 124  38.549   5.304  -4.326
 1038    HE1  TYR 124           HE1      TYR 124  34.587   4.303  -7.062
 1039    HE2  TYR 124           HE2      TYR 124  38.166   6.531  -6.424
 1040    HH   TYR 124           HH       TYR 124  35.189   6.404  -8.099
 1041    H    ARG 125           HN       ARG 125  40.540   2.182  -2.137
 1042    HA   ARG 125           HA       ARG 125  39.570   1.299   0.444
 1043   1HB   ARG 125           HB2      ARG 125  42.366   2.032  -0.451
 1044   2HB   ARG 125           HB1      ARG 125  41.952   1.365   1.120
 1045   1HG   ARG 125           HG2      ARG 125  41.056  -0.644  -0.088
 1046   2HG   ARG 125           HG1      ARG 125  41.781   0.019  -1.557
 1047   1HD   ARG 125           HD2      ARG 125  43.960   0.103  -0.363
 1048   2HD   ARG 125           HD1      ARG 125  43.198  -0.717   0.996
 1049    HE   ARG 125           HE       ARG 125  42.799  -2.195  -1.368
 1050   1HH1  ARG 125          1HH1      ARG 125  45.223  -1.383   1.006
 1051   2HH1  ARG 125          2HH1      ARG 125  46.219  -2.766   0.670
 1052   1HH2  ARG 125          1HH2      ARG 125  44.104  -4.033  -1.832
 1053   2HH2  ARG 125          2HH2      ARG 125  45.587  -4.268  -0.954
 1054    H    ASP 126           HN       ASP 126  39.990   4.101  -1.233
 1055    HA   ASP 126           HA       ASP 126  40.958   6.034   0.394
 1056   1HB   ASP 126           HB2      ASP 126  38.627   6.071  -1.520
 1057   2HB   ASP 126           HB1      ASP 126  39.363   7.519  -0.851
 1058    H    ALA 127           HN       ALA 127  37.525   5.079   0.207
 1059    HA   ALA 127           HA       ALA 127  36.830   6.775   2.398
 1060   1HB   ALA 127           HB2      ALA 127  34.578   5.989   2.073
 1061   2HB   ALA 127           HB3      ALA 127  35.153   4.682   1.037
 1062   3HB   ALA 127           HB1      ALA 127  35.313   6.358   0.513
 1063    H    ASN 128           HN       ASN 128  38.344   3.859   2.381
 1064    HA   ASN 128           HA       ASN 128  37.028   2.751   4.719
 1065   1HB   ASN 128           HB2      ASN 128  37.971   1.190   3.116
 1066   2HB   ASN 128           HB1      ASN 128  39.554   1.933   3.265
 1067   1HD2  ASN 128          1HD2      ASN 128  40.473  -0.050   3.836
 1068   2HD2  ASN 128          2HD2      ASN 128  40.236  -0.734   5.411
 1069    H    LEU 129           HN       LEU 129  40.098   4.298   3.889
 1070    HA   LEU 129           HA       LEU 129  40.868   4.482   6.679
 1071   1HB   LEU 129           HB2      LEU 129  42.197   5.328   4.111
 1072   2HB   LEU 129           HB1      LEU 129  42.850   5.754   5.680
 1073    HG   LEU 129           HG       LEU 129  44.068   3.871   4.960
 1074   1HD1  LEU 129          3HD1      LEU 129  41.937   2.914   6.859
 1075   2HD1  LEU 129          2HD1      LEU 129  43.501   2.143   6.594
 1076   3HD1  LEU 129          1HD1      LEU 129  43.422   3.761   7.288
 1077   1HD2  LEU 129          2HD2      LEU 129  41.446   2.521   4.331
 1078   2HD2  LEU 129          1HD2      LEU 129  42.623   3.121   3.162
 1079   3HD2  LEU 129          3HD2      LEU 129  43.041   1.773   4.219
 1080    H    LYS 130           HN       LYS 130  39.334   6.433   4.274
 1081    HA   LYS 130           HA       LYS 130  39.885   8.945   5.494
 1082   1HB   LYS 130           HB2      LYS 130  39.306   8.750   3.106
 1083   2HB   LYS 130           HB1      LYS 130  37.688   8.227   3.552
 1084   1HG   LYS 130           HG2      LYS 130  37.264  10.380   4.606
 1085   2HG   LYS 130           HG1      LYS 130  38.902  10.904   4.209
 1086   1HD   LYS 130           HD2      LYS 130  38.374  10.603   1.815
 1087   2HD   LYS 130           HD1      LYS 130  36.718  10.189   2.259
 1088   1HE   LYS 130           HE2      LYS 130  36.394  12.380   3.229
 1089   2HE   LYS 130           HE1      LYS 130  38.079  12.799   2.917
 1090   1HZ   LYS 130           HZ3      LYS 130  37.645  12.558   0.541
 1091   2HZ   LYS 130           HZ2      LYS 130  36.013  12.221   0.859
 1092   3HZ   LYS 130           HZ1      LYS 130  36.658  13.746   1.236
 1093    H    SER 131           HN       SER 131  39.268   9.192   7.535
 1094    HA   SER 131           HA       SER 131  36.595   8.458   8.392
 1095   1HB   SER 131           HB2      SER 131  38.535   8.171   9.920
 1096   2HB   SER 131           HB1      SER 131  38.820   9.909   9.867
 1097    HG   SER 131           HG       SER 131  37.595   9.801  11.603
 1098    HA   PRO 132           HA       PRO 132  34.861  12.430   7.328
 1099   1HB   PRO 132           HB2      PRO 132  32.937  12.063   9.516
 1100   2HB   PRO 132           HB1      PRO 132  32.654  12.110   7.775
 1101   1HG   PRO 132           HG2      PRO 132  32.423   9.836   9.193
 1102   2HG   PRO 132           HG1      PRO 132  33.018   9.847   7.522
 1103   1HD   PRO 132           HD2      PRO 132  34.563   9.673  10.086
 1104   2HD   PRO 132           HD1      PRO 132  34.780   8.757   8.578
 1105    H    ALA 133           HN       ALA 133  36.912  12.157   9.600
 1106    HA   ALA 133           HA       ALA 133  36.448  14.798  10.747
 1107   1HB   ALA 133           HB2      ALA 133  37.002  14.021  13.011
 1108   2HB   ALA 133           HB1      ALA 133  35.518  13.283  12.409
 1109   3HB   ALA 133           HB3      ALA 133  37.020  12.357  12.428
 1110    H    LEU 134           HN       LEU 134  38.287  13.517   8.769
 1111    HA   LEU 134           HA       LEU 134  40.878  13.508  10.022
 1112   1HB   LEU 134           HB2      LEU 134  40.052  13.517   7.119
 1113   2HB   LEU 134           HB1      LEU 134  41.716  13.422   7.660
 1114    HG   LEU 134           HG       LEU 134  39.562  11.371   8.190
 1115   1HD1  LEU 134          3HD1      LEU 134  41.985  11.313   6.395
 1116   2HD1  LEU 134          2HD1      LEU 134  40.904   9.955   6.706
 1117   3HD1  LEU 134          1HD1      LEU 134  40.301  11.389   5.875
 1118   1HD2  LEU 134          3HD2      LEU 134  42.487  11.384   8.923
 1119   2HD2  LEU 134          2HD2      LEU 134  41.129  11.483  10.043
 1120   3HD2  LEU 134          1HD2      LEU 134  41.393  10.013   9.105

  No H/Q in entry =        1120
  Start of MODEL   17
    1    H1   GLN   1           HT3      GLN   1 -11.372  14.234 -12.310
    2    H2   GLN   1           HT2      GLN   1 -11.939  15.667 -11.613
    3    H3   GLN   1           HT1      GLN   1 -10.625  15.704 -12.684
    4    HA   GLN   1           HA       GLN   1  -9.794  15.942 -10.485
    5   1HB   GLN   1           HB2      GLN   1 -10.226  14.365  -8.747
    6   2HB   GLN   1           HB1      GLN   1 -11.785  14.805  -9.422
    7   1HG   GLN   1           HG2      GLN   1 -11.560  12.695 -10.831
    8   2HG   GLN   1           HG1      GLN   1 -10.242  12.279  -9.749
    9   1HE2  GLN   1          1HE2      GLN   1 -11.422  10.453  -9.066
   10   2HE2  GLN   1          2HE2      GLN   1 -12.700  10.623  -7.921
   11    H    LEU   2           HN       LEU   2  -8.104  14.310  -9.443
   12    HA   LEU   2           HA       LEU   2  -6.978  12.727 -11.638
   13   1HB   LEU   2           HB2      LEU   2  -5.414  14.388 -11.456
   14   2HB   LEU   2           HB1      LEU   2  -5.819  14.735  -9.786
   15    HG   LEU   2           HG       LEU   2  -4.653  12.605  -9.172
   16   1HD1  LEU   2          3HD1      LEU   2  -3.678  12.803 -12.017
   17   2HD1  LEU   2          2HD1      LEU   2  -2.974  11.764 -10.780
   18   3HD1  LEU   2          1HD1      LEU   2  -4.632  11.495 -11.316
   19   1HD2  LEU   2          2HD2      LEU   2  -3.035  14.796 -10.461
   20   2HD2  LEU   2          1HD2      LEU   2  -3.632  14.769  -8.803
   21   3HD2  LEU   2          3HD2      LEU   2  -2.410  13.606  -9.318
   22    H    GLN   3           HN       GLN   3  -6.623  10.635 -11.167
   23    HA   GLN   3           HA       GLN   3  -6.493   9.870  -8.325
   24   1HB   GLN   3           HB2      GLN   3  -7.409   7.999 -10.502
   25   2HB   GLN   3           HB1      GLN   3  -7.589   7.817  -8.767
   26   1HG   GLN   3           HG2      GLN   3  -9.125   9.882  -8.943
   27   2HG   GLN   3           HG1      GLN   3  -9.170   9.497 -10.665
   28   1HE2  GLN   3          1HE2      GLN   3  -8.844   6.600  -9.996
   29   2HE2  GLN   3          2HE2      GLN   3 -10.392   6.076  -9.432
   30    H    GLU   4           HN       GLU   4  -4.672   8.826  -7.759
   31    HA   GLU   4           HA       GLU   4  -3.070   7.675  -9.944
   32   1HB   GLU   4           HB2      GLU   4  -1.921   8.451  -7.277
   33   2HB   GLU   4           HB1      GLU   4  -1.079   8.178  -8.797
   34   1HG   GLU   4           HG2      GLU   4  -2.666  10.239  -9.489
   35   2HG   GLU   4           HG1      GLU   4  -2.430  10.566  -7.774
   36    H    LYS   5           HN       LYS   5  -2.779   5.561  -9.885
   37    HA   LYS   5           HA       LYS   5  -3.777   4.185  -7.487
   38   1HB   LYS   5           HB2      LYS   5  -3.571   2.793 -10.123
   39   2HB   LYS   5           HB1      LYS   5  -4.626   2.454  -8.774
   40   1HG   LYS   5           HG2      LYS   5  -6.028   3.243 -10.470
   41   2HG   LYS   5           HG1      LYS   5  -5.850   4.578  -9.328
   42   1HD   LYS   5           HD2      LYS   5  -4.494   5.799 -10.774
   43   2HD   LYS   5           HD1      LYS   5  -4.075   4.380 -11.740
   44   1HE   LYS   5           HE2      LYS   5  -6.855   5.528 -11.594
   45   2HE   LYS   5           HE1      LYS   5  -5.672   6.023 -12.803
   46   1HZ   LYS   5           HZ3      LYS   5  -6.597   3.225 -12.413
   47   2HZ   LYS   5           HZ2      LYS   5  -7.207   4.283 -13.587
   48   3HZ   LYS   5           HZ1      LYS   5  -5.579   3.796 -13.645
   49    H    LEU   6           HN       LEU   6  -2.261   3.328  -6.344
   50    HA   LEU   6           HA       LEU   6   0.201   2.450  -7.670
   51   1HB   LEU   6           HB2      LEU   6  -0.230   2.927  -4.723
   52   2HB   LEU   6           HB1      LEU   6   1.298   2.812  -5.585
   53    HG   LEU   6           HG       LEU   6  -0.696   5.007  -6.122
   54   1HD1  LEU   6          1HD1      LEU   6  -0.024   5.091  -3.766
   55   2HD1  LEU   6          3HD1      LEU   6   1.668   5.103  -4.257
   56   3HD1  LEU   6          2HD1      LEU   6   0.614   6.452  -4.688
   57   1HD2  LEU   6          1HD2      LEU   6   0.969   4.571  -7.866
   58   2HD2  LEU   6          3HD2      LEU   6   1.224   6.137  -7.100
   59   3HD2  LEU   6          2HD2      LEU   6   2.262   4.771  -6.682
   60    H    TYR   7           HN       TYR   7  -0.190   0.419  -8.276
   61    HA   TYR   7           HA       TYR   7  -2.026  -1.250  -6.878
   62   1HB   TYR   7           HB2      TYR   7  -0.427  -1.448  -9.357
   63   2HB   TYR   7           HB1      TYR   7  -0.869  -2.972  -8.587
   64    HD1  TYR   7           HD1      TYR   7  -3.122  -3.740  -8.556
   65    HD2  TYR   7           HD2      TYR   7  -2.180   0.073 -10.188
   66    HE1  TYR   7           HE1      TYR   7  -5.364  -3.623  -9.568
   67    HE2  TYR   7           HE2      TYR   7  -4.417   0.203 -11.200
   68    HH   TYR   7           HH       TYR   7  -6.936  -1.980 -10.413
   69    H    VAL   8           HN       VAL   8  -1.749  -2.875  -5.571
   70    HA   VAL   8           HA       VAL   8   0.936  -3.966  -5.157
   71    HB   VAL   8           HB       VAL   8   0.459  -2.288  -3.396
   72   1HG1  VAL   8          1HG1      VAL   8  -1.969  -2.506  -3.303
   73   2HG1  VAL   8          3HG1      VAL   8  -1.795  -4.116  -2.585
   74   3HG1  VAL   8          2HG1      VAL   8  -1.231  -2.688  -1.706
   75   1HG2  VAL   8          2HG2      VAL   8   1.937  -4.146  -2.983
   76   2HG2  VAL   8          1HG2      VAL   8   1.049  -3.715  -1.520
   77   3HG2  VAL   8          3HG2      VAL   8   0.574  -5.132  -2.457
   78    HA   PRO   9           HA       PRO   9  -1.882  -7.036  -6.430
   79   1HB   PRO   9           HB2      PRO   9  -0.143  -9.037  -6.924
   80   2HB   PRO   9           HB1      PRO   9  -0.278  -7.603  -7.952
   81   1HG   PRO   9           HG2      PRO   9   1.749  -8.260  -5.861
   82   2HG   PRO   9           HG1      PRO   9   1.972  -7.466  -7.432
   83   1HD   PRO   9           HD2      PRO   9   1.832  -6.129  -5.028
   84   2HD   PRO   9           HD1      PRO   9   1.439  -5.404  -6.599
   85    H    VAL  10           HN       VAL  10  -3.128  -7.518  -4.697
   86    HA   VAL  10           HA       VAL  10  -2.184  -8.996  -2.456
   87    HB   VAL  10           HB       VAL  10  -4.147  -7.432  -2.455
   88   1HG1  VAL  10          1HG1      VAL  10  -5.526  -9.753  -3.767
   89   2HG1  VAL  10          3HG1      VAL  10  -6.343  -8.359  -3.058
   90   3HG1  VAL  10          2HG1      VAL  10  -5.275  -8.144  -4.445
   91   1HG2  VAL  10          3HG2      VAL  10  -3.691  -8.892  -0.578
   92   2HG2  VAL  10          2HG2      VAL  10  -5.431  -8.741  -0.826
   93   3HG2  VAL  10          1HG2      VAL  10  -4.588 -10.198  -1.353
   94    H    LYS  11           HN       LYS  11  -3.440  -9.759  -5.563
   95    HA   LYS  11           HA       LYS  11  -4.049 -12.489  -5.174
   96   1HB   LYS  11           HB2      LYS  11  -3.057 -11.032  -7.637
   97   2HB   LYS  11           HB1      LYS  11  -3.671 -12.681  -7.633
   98   1HG   LYS  11           HG2      LYS  11  -5.837 -11.916  -6.937
   99   2HG   LYS  11           HG1      LYS  11  -5.243 -10.267  -6.778
  100   1HD   LYS  11           HD2      LYS  11  -6.455 -10.513  -8.862
  101   2HD   LYS  11           HD1      LYS  11  -4.742 -10.228  -9.177
  102   1HE   LYS  11           HE2      LYS  11  -5.602 -11.952 -10.651
  103   2HE   LYS  11           HE1      LYS  11  -4.413 -12.625  -9.541
  104   1HZ   LYS  11           HZ2      LYS  11  -7.356 -12.814  -9.156
  105   2HZ   LYS  11           HZ1      LYS  11  -6.392 -14.033  -9.842
  106   3HZ   LYS  11           HZ3      LYS  11  -6.156 -13.572  -8.226
  107    H    GLU  12           HN       GLU  12  -1.099 -10.717  -5.609
  108    HA   GLU  12           HA       GLU  12   0.571 -13.009  -6.052
  109   1HB   GLU  12           HB2      GLU  12   1.166 -10.119  -5.442
  110   2HB   GLU  12           HB1      GLU  12   2.412 -11.337  -5.709
  111   1HG   GLU  12           HG2      GLU  12   0.273 -10.653  -7.707
  112   2HG   GLU  12           HG1      GLU  12   1.893  -9.962  -7.707
  113    H    TYR  13           HN       TYR  13  -0.341 -10.965  -3.355
  114    HA   TYR  13           HA       TYR  13   1.080 -12.818  -1.555
  115   1HB   TYR  13           HB2      TYR  13   0.488  -9.934  -0.891
  116   2HB   TYR  13           HB1      TYR  13   1.591 -11.034  -0.073
  117    HD1  TYR  13           HD1      TYR  13   3.820 -11.406  -0.912
  118    HD2  TYR  13           HD2      TYR  13   1.106  -8.903  -3.008
  119    HE1  TYR  13           HE1      TYR  13   5.676 -10.552  -2.290
  120    HE2  TYR  13           HE2      TYR  13   2.934  -8.043  -4.389
  121    HH   TYR  13           HH       TYR  13   5.988  -9.500  -4.519
  122    HA   PRO  14           HA       PRO  14  -3.533 -12.786  -0.811
  123   1HB   PRO  14           HB2      PRO  14  -3.245 -15.699  -0.659
  124   2HB   PRO  14           HB1      PRO  14  -4.303 -14.731  -1.689
  125   1HG   PRO  14           HG2      PRO  14  -2.196 -16.080  -2.681
  126   2HG   PRO  14           HG1      PRO  14  -2.720 -14.524  -3.352
  127   1HD   PRO  14           HD2      PRO  14  -0.462 -15.110  -1.467
  128   2HD   PRO  14           HD1      PRO  14  -0.498 -14.033  -2.882
  129    H    ASP  15           HN       ASP  15  -0.772 -14.038   0.772
  130    HA   ASP  15           HA       ASP  15  -2.290 -14.409   3.257
  131   1HB   ASP  15           HB2      ASP  15   0.460 -15.364   2.459
  132   2HB   ASP  15           HB1      ASP  15  -0.176 -15.496   4.096
  133    H    PHE  16           HN       PHE  16  -0.798 -12.024   1.688
  134    HA   PHE  16           HA       PHE  16   0.018 -10.772   4.223
  135   1HB   PHE  16           HB2      PHE  16   1.799 -10.875   2.418
  136   2HB   PHE  16           HB1      PHE  16   0.794  -9.740   1.504
  137    HD1  PHE  16           HD1      PHE  16   2.623 -10.212   4.676
  138    HD2  PHE  16           HD2      PHE  16   0.758  -7.433   2.047
  139    HE1  PHE  16           HE1      PHE  16   3.539  -8.351   5.995
  140    HE2  PHE  16           HE2      PHE  16   1.685  -5.575   3.355
  141    HZ   PHE  16           HZ       PHE  16   3.069  -6.032   5.333
  142    H    ASN  17           HN       ASN  17  -1.601  -9.648   4.995
  143    HA   ASN  17           HA       ASN  17  -3.697  -8.747   3.246
  144   1HB   ASN  17           HB2      ASN  17  -4.654  -7.853   5.449
  145   2HB   ASN  17           HB1      ASN  17  -4.535  -9.591   5.251
  146   1HD2  ASN  17          1HD2      ASN  17  -2.054  -7.170   6.237
  147   2HD2  ASN  17          2HD2      ASN  17  -1.721  -7.936   7.760
  148    H    PHE  18           HN       PHE  18  -2.666  -7.111   1.955
  149    HA   PHE  18           HA       PHE  18  -1.328  -4.924   3.085
  150   1HB   PHE  18           HB2      PHE  18  -2.965  -4.951   0.546
  151   2HB   PHE  18           HB1      PHE  18  -1.836  -3.683   1.039
  152    HD1  PHE  18           HD1      PHE  18   0.537  -4.541   1.654
  153    HD2  PHE  18           HD2      PHE  18  -2.174  -6.579  -0.911
  154    HE1  PHE  18           HE1      PHE  18   2.419  -5.692   0.610
  155    HE2  PHE  18           HE2      PHE  18  -0.280  -7.752  -1.992
  156    HZ   PHE  18           HZ       PHE  18   2.013  -7.286  -1.233
  157    H    VAL  19           HN       VAL  19  -4.758  -5.527   2.634
  158    HA   VAL  19           HA       VAL  19  -5.671  -3.005   3.478
  159    HB   VAL  19           HB       VAL  19  -6.894  -5.755   3.539
  160   1HG1  VAL  19          3HG1      VAL  19  -8.201  -3.198   4.453
  161   2HG1  VAL  19          2HG1      VAL  19  -9.015  -4.744   4.214
  162   3HG1  VAL  19          1HG1      VAL  19  -7.791  -4.577   5.473
  163   1HG2  VAL  19          1HG2      VAL  19  -6.662  -4.647   1.382
  164   2HG2  VAL  19          3HG2      VAL  19  -8.360  -4.790   1.837
  165   3HG2  VAL  19          2HG2      VAL  19  -7.530  -3.241   2.000
  166    H    GLY  20           HN       GLY  20  -5.166  -5.997   5.378
  167   1HA   GLY  20           HA1      GLY  20  -4.867  -6.285   7.643
  168   2HA   GLY  20           HA2      GLY  20  -5.675  -4.742   7.875
  169    H    ARG  21           HN       ARG  21  -3.065  -4.543   5.786
  170    HA   ARG  21           HA       ARG  21  -1.114  -3.972   7.872
  171   1HB   ARG  21           HB2      ARG  21  -0.012  -5.285   6.394
  172   2HB   ARG  21           HB1      ARG  21  -1.067  -4.865   5.065
  173   1HG   ARG  21           HG2      ARG  21   1.126  -4.178   4.512
  174   2HG   ARG  21           HG1      ARG  21   0.187  -2.725   4.845
  175   1HD   ARG  21           HD2      ARG  21   2.589  -2.982   5.788
  176   2HD   ARG  21           HD1      ARG  21   1.328  -2.277   6.787
  177    HE   ARG  21           HE       ARG  21   1.201  -4.362   7.992
  178   1HH1  ARG  21          1HH1      ARG  21   3.842  -4.089   5.733
  179   2HH1  ARG  21          2HH1      ARG  21   4.882  -5.160   6.612
  180   1HH2  ARG  21          1HH2      ARG  21   2.544  -5.812   9.139
  181   2HH2  ARG  21          2HH2      ARG  21   4.140  -6.164   8.546
  182    H    ILE  22           HN       ILE  22  -2.782  -2.451   5.182
  183    HA   ILE  22           HA       ILE  22  -1.368   0.051   5.563
  184    HB   ILE  22           HB       ILE  22  -3.542  -0.790   3.647
  185   1HG1  ILE  22          2HG1      ILE  22  -0.635  -0.131   3.147
  186   2HG1  ILE  22          1HG1      ILE  22  -1.278  -1.762   3.302
  187   1HG2  ILE  22          1HG2      ILE  22  -3.770   1.583   4.133
  188   2HG2  ILE  22          3HG2      ILE  22  -2.071   1.835   3.730
  189   3HG2  ILE  22          2HG2      ILE  22  -3.205   1.314   2.484
  190   1HD1  ILE  22          1HD1      ILE  22  -2.677  -1.392   1.337
  191   2HD1  ILE  22          3HD1      ILE  22  -2.021   0.239   1.183
  192   3HD1  ILE  22          2HD1      ILE  22  -0.966  -1.159   0.979
  193    H    LEU  23           HN       LEU  23  -4.826  -0.934   5.532
  194    HA   LEU  23           HA       LEU  23  -5.279   1.359   7.268
  195   1HB   LEU  23           HB2      LEU  23  -7.651   1.335   6.613
  196   2HB   LEU  23           HB1      LEU  23  -6.545   1.699   5.318
  197    HG   LEU  23           HG       LEU  23  -8.375   0.394   4.492
  198   1HD1  LEU  23          2HD1      LEU  23  -6.251  -0.011   3.432
  199   2HD1  LEU  23          1HD1      LEU  23  -5.886  -1.280   4.601
  200   3HD1  LEU  23          3HD1      LEU  23  -7.220  -1.485   3.464
  201   1HD2  LEU  23          2HD2      LEU  23  -9.078  -0.696   6.524
  202   2HD2  LEU  23          1HD2      LEU  23  -8.836  -1.876   5.236
  203   3HD2  LEU  23          3HD2      LEU  23  -7.629  -1.702   6.510
  204    H    GLY  24           HN       GLY  24  -4.841  -1.837   7.588
  205   1HA   GLY  24           HA1      GLY  24  -5.169  -3.240   9.380
  206   2HA   GLY  24           HA2      GLY  24  -6.862  -2.814   9.193
  207    HA   PRO  25           HA       PRO  25  -5.344  -0.917  13.186
  208   1HB   PRO  25           HB2      PRO  25  -2.741  -0.661  13.745
  209   2HB   PRO  25           HB1      PRO  25  -3.532  -2.242  13.762
  210   1HG   PRO  25           HG2      PRO  25  -1.735  -1.040  11.713
  211   2HG   PRO  25           HG1      PRO  25  -1.873  -2.727  12.237
  212   1HD   PRO  25           HD2      PRO  25  -3.028  -1.615   9.939
  213   2HD   PRO  25           HD1      PRO  25  -3.458  -3.172  10.672
  214    H    ARG  26           HN       ARG  26  -3.999   0.349  10.318
  215    HA   ARG  26           HA       ARG  26  -3.627   2.991  11.558
  216   1HB   ARG  26           HB2      ARG  26  -2.089   1.662   9.334
  217   2HB   ARG  26           HB1      ARG  26  -1.985   3.386   9.663
  218   1HG   ARG  26           HG2      ARG  26  -1.122   2.966  11.864
  219   2HG   ARG  26           HG1      ARG  26  -1.353   1.229  11.658
  220   1HD   ARG  26           HD2      ARG  26   0.458   2.929   9.951
  221   2HD   ARG  26           HD1      ARG  26   0.993   1.976  11.335
  222    HE   ARG  26           HE       ARG  26  -0.386   0.625   9.127
  223   1HH1  ARG  26          1HH1      ARG  26   2.543   1.208  10.958
  224   2HH1  ARG  26          2HH1      ARG  26   3.391  -0.150  10.271
  225   1HH2  ARG  26          1HH2      ARG  26   0.714  -1.180   8.250
  226   2HH2  ARG  26          2HH2      ARG  26   2.345  -1.512   8.756
  227    H    GLY  27           HN       GLY  27  -6.051   1.757  10.167
  228   1HA   GLY  27           HA1      GLY  27  -7.764   2.647   8.904
  229   2HA   GLY  27           HA2      GLY  27  -6.517   2.963   7.701
  230    H    LEU  28           HN       LEU  28  -6.444   4.345  10.865
  231    HA   LEU  28           HA       LEU  28  -7.715   6.772  10.491
  232   1HB   LEU  28           HB2      LEU  28  -5.256   6.155  12.129
  233   2HB   LEU  28           HB1      LEU  28  -6.204   7.623  12.269
  234    HG   LEU  28           HG       LEU  28  -7.272   4.852  12.809
  235   1HD1  LEU  28          3HD1      LEU  28  -6.383   6.998  14.730
  236   2HD1  LEU  28          2HD1      LEU  28  -7.179   5.488  15.169
  237   3HD1  LEU  28          1HD1      LEU  28  -5.572   5.458  14.444
  238   1HD2  LEU  28          1HD2      LEU  28  -8.424   7.599  13.278
  239   2HD2  LEU  28          3HD2      LEU  28  -8.994   6.404  12.112
  240   3HD2  LEU  28          2HD2      LEU  28  -9.135   6.087  13.842
  241    H    THR  29           HN       THR  29  -4.576   5.707   9.338
  242    HA   THR  29           HA       THR  29  -3.535   8.300   8.873
  243    HB   THR  29           HB       THR  29  -2.223   6.058   9.009
  244    HG1  THR  29           HG1      THR  29  -1.438   8.266   8.444
  245   1HG2  THR  29          1HG2      THR  29  -2.833   6.141   6.050
  246   2HG2  THR  29          3HG2      THR  29  -1.624   5.112   6.818
  247   3HG2  THR  29          2HG2      THR  29  -3.335   4.886   7.182
  248    H    ALA  30           HN       ALA  30  -5.374   6.040   6.864
  249    HA   ALA  30           HA       ALA  30  -5.159   7.530   4.461
  250   1HB   ALA  30           HB2      ALA  30  -7.380   5.676   5.331
  251   2HB   ALA  30           HB3      ALA  30  -5.901   5.183   4.508
  252   3HB   ALA  30           HB1      ALA  30  -7.067   6.220   3.684
  253    H    LYS  31           HN       LYS  31  -7.292   7.584   7.196
  254    HA   LYS  31           HA       LYS  31  -9.197   9.448   6.284
  255   1HB   LYS  31           HB2      LYS  31  -9.378   7.950   8.290
  256   2HB   LYS  31           HB1      LYS  31  -8.212   8.996   9.100
  257   1HG   LYS  31           HG2      LYS  31  -9.785  10.876   8.872
  258   2HG   LYS  31           HG1      LYS  31 -10.958   9.782   8.136
  259   1HD   LYS  31           HD2      LYS  31 -10.945   8.425  10.195
  260   2HD   LYS  31           HD1      LYS  31  -9.818   9.570  10.925
  261   1HE   LYS  31           HE2      LYS  31 -12.607  10.199   9.962
  262   2HE   LYS  31           HE1      LYS  31 -12.117   9.992  11.643
  263   1HZ   LYS  31           HZ1      LYS  31 -11.095  12.099   9.806
  264   2HZ   LYS  31           HZ3      LYS  31 -12.269  12.334  11.006
  265   3HZ   LYS  31           HZ2      LYS  31 -10.686  11.921  11.442
  266    H    GLN  32           HN       GLN  32  -6.080   9.801   7.899
  267    HA   GLN  32           HA       GLN  32  -6.333  12.608   8.356
  268   1HB   GLN  32           HB2      GLN  32  -3.823  10.923   8.261
  269   2HB   GLN  32           HB1      GLN  32  -3.944  12.552   8.906
  270   1HG   GLN  32           HG2      GLN  32  -5.192  10.051  10.002
  271   2HG   GLN  32           HG1      GLN  32  -3.918  11.027  10.729
  272   1HE2  GLN  32          1HE2      GLN  32  -7.301  10.757  10.070
  273   2HE2  GLN  32          2HE2      GLN  32  -7.826  12.015  11.137
  274    H    LEU  33           HN       LEU  33  -5.016  10.618   5.785
  275    HA   LEU  33           HA       LEU  33  -3.599  12.683   4.473
  276   1HB   LEU  33           HB2      LEU  33  -4.807  10.289   3.101
  277   2HB   LEU  33           HB1      LEU  33  -3.407  11.218   2.603
  278    HG   LEU  33           HG       LEU  33  -3.627   9.175   4.788
  279   1HD1  LEU  33          2HD1      LEU  33  -1.699   9.560   2.504
  280   2HD1  LEU  33          1HD1      LEU  33  -1.624   8.265   3.699
  281   3HD1  LEU  33          3HD1      LEU  33  -2.998   8.371   2.599
  282   1HD2  LEU  33          2HD2      LEU  33  -1.468  11.258   4.524
  283   2HD2  LEU  33          1HD2      LEU  33  -2.596  11.051   5.871
  284   3HD2  LEU  33          3HD2      LEU  33  -1.376   9.819   5.541
  285    H    GLU  34           HN       GLU  34  -6.938  11.501   4.097
  286    HA   GLU  34           HA       GLU  34  -7.424  13.234   1.879
  287   1HB   GLU  34           HB2      GLU  34  -9.854  12.764   2.349
  288   2HB   GLU  34           HB1      GLU  34  -8.853  11.357   2.038
  289   1HG   GLU  34           HG2      GLU  34  -8.830  10.775   4.352
  290   2HG   GLU  34           HG1      GLU  34  -9.601  12.299   4.794
  291    H    ALA  35           HN       ALA  35  -7.872  13.467   5.348
  292    HA   ALA  35           HA       ALA  35  -9.295  15.897   5.371
  293   1HB   ALA  35           HB2      ALA  35  -8.681  16.035   7.720
  294   2HB   ALA  35           HB1      ALA  35  -9.176  14.394   7.305
  295   3HB   ALA  35           HB3      ALA  35  -7.465  14.779   7.490
  296    H    GLU  36           HN       GLU  36  -5.842  15.164   5.456
  297    HA   GLU  36           HA       GLU  36  -5.185  17.970   5.771
  298   1HB   GLU  36           HB2      GLU  36  -3.680  15.413   5.944
  299   2HB   GLU  36           HB1      GLU  36  -2.780  16.878   5.569
  300   1HG   GLU  36           HG2      GLU  36  -4.545  16.473   7.974
  301   2HG   GLU  36           HG1      GLU  36  -2.782  16.404   7.957
  302    H    THR  37           HN       THR  37  -4.511  15.421   3.343
  303    HA   THR  37           HA       THR  37  -3.034  17.293   1.752
  304    HB   THR  37           HB       THR  37  -2.655  15.543   0.174
  305    HG1  THR  37           HG1      THR  37  -4.573  13.951   1.561
  306   1HG2  THR  37          1HG2      THR  37  -2.687  14.400   2.972
  307   2HG2  THR  37          3HG2      THR  37  -1.797  13.727   1.608
  308   3HG2  THR  37          2HG2      THR  37  -1.377  15.323   2.231
  309    H    GLY  38           HN       GLY  38  -6.311  16.401   2.044
  310   1HA   GLY  38           HA1      GLY  38  -7.078  18.006  -0.252
  311   2HA   GLY  38           HA2      GLY  38  -8.169  17.247   0.908
  312    H    CYS  39           HN       CYS  39  -5.936  15.027   0.031
  313    HA   CYS  39           HA       CYS  39  -7.508  14.014  -2.217
  314   1HB   CYS  39           HB2      CYS  39  -5.159  14.084  -2.679
  315   2HB   CYS  39           HB1      CYS  39  -4.781  13.284  -1.152
  316    HG   CYS  39           HG       CYS  39  -5.427  10.824  -1.848
  317    H    LYS  40           HN       LYS  40  -9.045  12.635  -1.748
  318    HA   LYS  40           HA       LYS  40  -8.952  11.132   0.699
  319   1HB   LYS  40           HB2      LYS  40 -11.076  12.000  -0.239
  320   2HB   LYS  40           HB1      LYS  40 -10.877  10.924  -1.622
  321   1HG   LYS  40           HG2      LYS  40 -10.923   8.995  -0.092
  322   2HG   LYS  40           HG1      LYS  40 -11.216  10.100   1.253
  323   1HD   LYS  40           HD2      LYS  40 -13.247  10.895   0.007
  324   2HD   LYS  40           HD1      LYS  40 -12.993   9.554  -1.114
  325   1HE   LYS  40           HE2      LYS  40 -14.610   8.918   0.574
  326   2HE   LYS  40           HE1      LYS  40 -13.134   7.976   0.764
  327   1HZ   LYS  40           HZ1      LYS  40 -13.821  10.386   2.363
  328   2HZ   LYS  40           HZ3      LYS  40 -14.025   8.789   2.886
  329   3HZ   LYS  40           HZ2      LYS  40 -12.466   9.396   2.588
  330    H    ILE  41           HN       ILE  41  -7.226   9.791   0.594
  331    HA   ILE  41           HA       ILE  41  -6.751   8.185  -1.736
  332    HB   ILE  41           HB       ILE  41  -4.814   8.809  -0.539
  333   1HG1  ILE  41          2HG1      ILE  41  -5.424   5.908   0.080
  334   2HG1  ILE  41          1HG1      ILE  41  -4.709   6.537  -1.402
  335   1HG2  ILE  41          2HG2      ILE  41  -5.862   9.311   1.618
  336   2HG2  ILE  41          1HG2      ILE  41  -6.037   7.585   1.942
  337   3HG2  ILE  41          3HG2      ILE  41  -4.430   8.305   1.830
  338   1HD1  ILE  41          3HD1      ILE  41  -2.748   7.273  -0.141
  339   2HD1  ILE  41          2HD1      ILE  41  -3.462   6.633   1.340
  340   3HD1  ILE  41          1HD1      ILE  41  -3.022   5.538   0.029
  341    H    MET  42           HN       MET  42  -7.935   6.510  -2.207
  342    HA   MET  42           HA       MET  42  -9.262   5.094  -0.015
  343   1HB   MET  42           HB2      MET  42 -10.941   4.405  -1.712
  344   2HB   MET  42           HB1      MET  42 -10.883   6.146  -1.475
  345   1HG   MET  42           HG2      MET  42  -9.615   6.423  -3.509
  346   2HG   MET  42           HG1      MET  42  -9.527   4.676  -3.727
  347   1HE   MET  42           HE3      MET  42 -12.554   6.886  -2.523
  348   2HE   MET  42           HE2      MET  42 -11.812   7.861  -3.792
  349   3HE   MET  42           HE1      MET  42 -13.408   7.157  -4.043
  350    H    VAL  43           HN       VAL  43  -8.815   2.983   0.228
  351    HA   VAL  43           HA       VAL  43  -6.896   1.798  -1.560
  352    HB   VAL  43           HB       VAL  43  -8.281   0.177   0.518
  353   1HG1  VAL  43          1HG1      VAL  43  -5.420   0.452  -0.377
  354   2HG1  VAL  43          3HG1      VAL  43  -6.011  -0.718   0.805
  355   3HG1  VAL  43          2HG1      VAL  43  -6.556  -0.805  -0.872
  356   1HG2  VAL  43          3HG2      VAL  43  -6.362   2.420   1.137
  357   2HG2  VAL  43          2HG2      VAL  43  -7.972   2.152   1.808
  358   3HG2  VAL  43          1HG2      VAL  43  -6.651   1.067   2.230
  359    H    ARG  44           HN       ARG  44  -7.549   0.939  -3.391
  360    HA   ARG  44           HA       ARG  44 -10.340   0.088  -3.612
  361   1HB   ARG  44           HB2      ARG  44  -8.339   0.856  -5.735
  362   2HB   ARG  44           HB1      ARG  44  -9.921   0.180  -6.088
  363   1HG   ARG  44           HG2      ARG  44 -10.792   2.167  -4.653
  364   2HG   ARG  44           HG1      ARG  44  -9.210   2.859  -4.995
  365   1HD   ARG  44           HD2      ARG  44  -9.625   3.056  -7.225
  366   2HD   ARG  44           HD1      ARG  44 -10.779   1.717  -7.249
  367    HE   ARG  44           HE       ARG  44 -11.571   4.134  -5.825
  368   1HH1  ARG  44          1HH1      ARG  44 -11.870   2.097  -8.679
  369   2HH1  ARG  44          2HH1      ARG  44 -13.277   2.936  -9.268
  370   1HH2  ARG  44          1HH2      ARG  44 -13.438   5.197  -6.600
  371   2HH2  ARG  44          2HH2      ARG  44 -14.171   4.674  -8.085
  372    H    GLY  45           HN       GLY  45 -10.810  -1.856  -4.794
  373   1HA   GLY  45           HA1      GLY  45  -8.638  -3.818  -4.501
  374   2HA   GLY  45           HA2      GLY  45  -9.967  -3.974  -5.646
  375    H    LYS  46           HN       LYS  46  -9.469  -6.031  -4.010
  376    HA   LYS  46           HA       LYS  46 -11.942  -6.230  -2.588
  377   1HB   LYS  46           HB2      LYS  46 -11.257  -8.556  -2.190
  378   2HB   LYS  46           HB1      LYS  46 -11.080  -8.113  -3.881
  379   1HG   LYS  46           HG2      LYS  46  -8.598  -7.557  -2.974
  380   2HG   LYS  46           HG1      LYS  46  -9.049  -8.876  -1.896
  381   1HD   LYS  46           HD2      LYS  46  -7.916  -9.766  -3.834
  382   2HD   LYS  46           HD1      LYS  46  -9.613 -10.250  -3.878
  383   1HE   LYS  46           HE2      LYS  46 -10.119  -8.656  -5.548
  384   2HE   LYS  46           HE1      LYS  46  -8.584  -7.823  -5.320
  385   1HZ   LYS  46           HZ1      LYS  46  -8.615 -10.634  -6.202
  386   2HZ   LYS  46           HZ3      LYS  46  -8.893  -9.388  -7.322
  387   3HZ   LYS  46           HZ2      LYS  46  -7.432  -9.434  -6.457
  388    H    GLY  47           HN       GLY  47 -12.168  -5.331  -0.617
  389   1HA   GLY  47           HA1      GLY  47  -9.960  -5.850   1.285
  390   2HA   GLY  47           HA2      GLY  47 -11.651  -6.021   1.732
  391    H    SER  48           HN       SER  48 -11.892  -3.469  -0.119
  392    HA   SER  48           HA       SER  48 -10.641  -1.378   1.291
  393   1HB   SER  48           HB2      SER  48 -11.506  -1.107  -0.971
  394   2HB   SER  48           HB1      SER  48 -13.148  -1.402  -0.404
  395    HG   SER  48           HG       SER  48 -11.607   0.704   0.669
  396    H    MET  49           HN       MET  49 -14.102  -2.242   1.266
  397    HA   MET  49           HA       MET  49 -14.215  -1.611   4.131
  398   1HB   MET  49           HB2      MET  49 -16.327  -1.035   2.046
  399   2HB   MET  49           HB1      MET  49 -16.595  -0.926   3.779
  400   1HG   MET  49           HG2      MET  49 -14.886   0.815   3.931
  401   2HG   MET  49           HG1      MET  49 -14.627   0.709   2.190
  402   1HE   MET  49           HE2      MET  49 -15.023   3.308   1.930
  403   2HE   MET  49           HE1      MET  49 -16.441   4.157   2.548
  404   3HE   MET  49           HE3      MET  49 -15.274   3.457   3.670
  405    H    ARG  50           HN       ARG  50 -13.610  -4.086   2.984
  406    HA   ARG  50           HA       ARG  50 -15.747  -5.824   2.475
  407   1HB   ARG  50           HB2      ARG  50 -12.879  -5.998   2.854
  408   2HB   ARG  50           HB1      ARG  50 -13.711  -7.409   3.491
  409   1HG   ARG  50           HG2      ARG  50 -14.171  -6.354   0.719
  410   2HG   ARG  50           HG1      ARG  50 -12.944  -7.561   1.103
  411   1HD   ARG  50           HD2      ARG  50 -15.880  -7.860   1.704
  412   2HD   ARG  50           HD1      ARG  50 -15.087  -8.511   0.271
  413    HE   ARG  50           HE       ARG  50 -13.757  -9.381   2.614
  414   1HH1  ARG  50          1HH1      ARG  50 -16.766  -9.877   0.878
  415   2HH1  ARG  50          2HH1      ARG  50 -16.893 -11.546   1.326
  416   1HH2  ARG  50          1HH2      ARG  50 -13.947 -11.571   3.246
  417   2HH2  ARG  50          2HH2      ARG  50 -15.289 -12.515   2.663
  418    H    ASP  51           HN       ASP  51 -16.072  -4.338   5.051
  419    HA   ASP  51           HA       ASP  51 -15.980  -6.333   7.128
  420   1HB   ASP  51           HB2      ASP  51 -15.867  -3.731   7.336
  421   2HB   ASP  51           HB1      ASP  51 -17.622  -3.811   7.216
  422    H    LYS  52           HN       LYS  52 -17.765  -7.512   7.901
  423    HA   LYS  52           HA       LYS  52 -19.588  -8.297   5.904
  424   1HB   LYS  52           HB2      LYS  52 -19.660  -8.842   8.872
  425   2HB   LYS  52           HB1      LYS  52 -20.653  -9.659   7.672
  426   1HG   LYS  52           HG2      LYS  52 -17.657  -9.777   7.952
  427   2HG   LYS  52           HG1      LYS  52 -18.814 -11.083   8.212
  428   1HD   LYS  52           HD2      LYS  52 -19.449 -10.868   5.790
  429   2HD   LYS  52           HD1      LYS  52 -18.099  -9.750   5.601
  430   1HE   LYS  52           HE2      LYS  52 -17.345 -11.894   4.907
  431   2HE   LYS  52           HE1      LYS  52 -16.602 -11.564   6.473
  432   1HZ   LYS  52           HZ3      LYS  52 -19.014 -13.238   6.027
  433   2HZ   LYS  52           HZ2      LYS  52 -17.454 -13.824   6.336
  434   3HZ   LYS  52           HZ1      LYS  52 -18.276 -12.944   7.525
  435    H    LYS  53           HN       LYS  53 -19.845  -5.979   8.509
  436    HA   LYS  53           HA       LYS  53 -22.657  -5.706   8.297
  437   1HB   LYS  53           HB2      LYS  53 -22.389  -3.609   9.545
  438   2HB   LYS  53           HB1      LYS  53 -21.532  -4.941  10.302
  439   1HG   LYS  53           HG2      LYS  53 -19.438  -4.093   9.243
  440   2HG   LYS  53           HG1      LYS  53 -20.356  -2.682   8.706
  441   1HD   LYS  53           HD2      LYS  53 -20.920  -2.165  11.028
  442   2HD   LYS  53           HD1      LYS  53 -20.011  -3.579  11.566
  443   1HE   LYS  53           HE2      LYS  53 -17.967  -2.608  10.617
  444   2HE   LYS  53           HE1      LYS  53 -18.884  -1.184  10.121
  445   1HZ   LYS  53           HZ2      LYS  53 -19.458  -0.857  12.497
  446   2HZ   LYS  53           HZ1      LYS  53 -18.384  -2.115  12.891
  447   3HZ   LYS  53           HZ3      LYS  53 -17.802  -0.696  12.166
  448    H    LYS  54           HN       LYS  54 -19.913  -4.158   6.675
  449    HA   LYS  54           HA       LYS  54 -21.373  -2.126   5.399
  450   1HB   LYS  54           HB2      LYS  54 -18.727  -3.324   5.054
  451   2HB   LYS  54           HB1      LYS  54 -19.432  -2.731   3.556
  452   1HG   LYS  54           HG2      LYS  54 -18.301  -0.877   4.284
  453   2HG   LYS  54           HG1      LYS  54 -19.899  -0.582   4.952
  454   1HD   LYS  54           HD2      LYS  54 -19.217  -1.331   7.121
  455   2HD   LYS  54           HD1      LYS  54 -17.667  -1.895   6.489
  456   1HE   LYS  54           HE2      LYS  54 -16.990   0.371   6.009
  457   2HE   LYS  54           HE1      LYS  54 -18.576   0.983   6.476
  458   1HZ   LYS  54           HZ1      LYS  54 -16.701  -0.413   8.318
  459   2HZ   LYS  54           HZ3      LYS  54 -16.870   1.272   8.213
  460   3HZ   LYS  54           HZ2      LYS  54 -18.175   0.323   8.733
  461    H    GLU  55           HN       GLU  55 -20.707  -5.470   4.371
  462    HA   GLU  55           HA       GLU  55 -21.974  -5.167   1.866
  463   1HB   GLU  55           HB2      GLU  55 -22.244  -7.786   2.159
  464   2HB   GLU  55           HB1      GLU  55 -20.690  -7.045   1.807
  465   1HG   GLU  55           HG2      GLU  55 -19.935  -7.300   3.982
  466   2HG   GLU  55           HG1      GLU  55 -21.556  -7.581   4.622
  467    H    GLU  56           HN       GLU  56 -23.208  -5.602   5.031
  468    HA   GLU  56           HA       GLU  56 -25.806  -6.477   4.300
  469   1HB   GLU  56           HB2      GLU  56 -24.920  -4.897   6.717
  470   2HB   GLU  56           HB1      GLU  56 -26.503  -5.635   6.523
  471   1HG   GLU  56           HG2      GLU  56 -23.873  -7.092   6.619
  472   2HG   GLU  56           HG1      GLU  56 -25.057  -6.991   7.921
  473    H    GLN  57           HN       GLN  57 -24.760  -3.144   5.240
  474    HA   GLN  57           HA       GLN  57 -27.214  -2.203   3.907
  475   1HB   GLN  57           HB2      GLN  57 -27.164  -0.238   5.284
  476   2HB   GLN  57           HB1      GLN  57 -26.993  -1.649   6.315
  477   1HG   GLN  57           HG2      GLN  57 -24.675   0.024   5.388
  478   2HG   GLN  57           HG1      GLN  57 -25.542   0.297   6.895
  479   1HE2  GLN  57          1HE2      GLN  57 -22.740  -0.498   6.306
  480   2HE2  GLN  57          2HE2      GLN  57 -22.496  -1.981   7.174
  481    H    ASN  58           HN       ASN  58 -23.742  -1.689   4.008
  482    HA   ASN  58           HA       ASN  58 -23.878   0.587   2.201
  483   1HB   ASN  58           HB2      ASN  58 -22.234   0.278   4.183
  484   2HB   ASN  58           HB1      ASN  58 -21.350  -0.778   3.088
  485   1HD2  ASN  58          1HD2      ASN  58 -19.572   0.597   3.088
  486   2HD2  ASN  58          2HD2      ASN  58 -19.578   2.106   2.250
  487    H    ARG  59           HN       ARG  59 -24.255  -2.540   1.823
  488    HA   ARG  59           HA       ARG  59 -22.674  -3.546  -0.143
  489   1HB   ARG  59           HB2      ARG  59 -24.690  -4.803  -0.914
  490   2HB   ARG  59           HB1      ARG  59 -24.457  -4.845   0.828
  491   1HG   ARG  59           HG2      ARG  59 -26.139  -3.093   1.094
  492   2HG   ARG  59           HG1      ARG  59 -26.385  -3.071  -0.651
  493   1HD   ARG  59           HD2      ARG  59 -27.200  -5.341  -0.607
  494   2HD   ARG  59           HD1      ARG  59 -26.820  -5.478   1.113
  495    HE   ARG  59           HE       ARG  59 -28.536  -3.291   0.751
  496   1HH1  ARG  59          1HH1      ARG  59 -28.626  -6.795   0.537
  497   2HH1  ARG  59          2HH1      ARG  59 -30.307  -6.894   0.956
  498   1HH2  ARG  59          1HH2      ARG  59 -30.740  -3.438   1.297
  499   2HH2  ARG  59          2HH2      ARG  59 -31.511  -4.993   1.372
  500    H    GLY  60           HN       GLY  60 -22.513  -3.396  -2.332
  501   1HA   GLY  60           HA1      GLY  60 -24.403  -1.902  -3.922
  502   2HA   GLY  60           HA2      GLY  60 -22.968  -2.735  -4.509
  503    H    LYS  61           HN       LYS  61 -22.120  -0.750  -1.950
  504    HA   LYS  61           HA       LYS  61 -21.931   1.689  -3.504
  505   1HB   LYS  61           HB2      LYS  61 -21.582   0.986  -0.632
  506   2HB   LYS  61           HB1      LYS  61 -20.766   2.422  -1.235
  507   1HG   LYS  61           HG2      LYS  61 -22.914   2.993  -0.264
  508   2HG   LYS  61           HG1      LYS  61 -22.908   3.324  -1.996
  509   1HD   LYS  61           HD2      LYS  61 -24.041   1.132  -2.346
  510   2HD   LYS  61           HD1      LYS  61 -24.171   0.974  -0.594
  511   1HE   LYS  61           HE2      LYS  61 -26.248   1.823  -1.435
  512   2HE   LYS  61           HE1      LYS  61 -25.435   3.116  -0.557
  513   1HZ   LYS  61           HZ1      LYS  61 -24.660   3.998  -2.694
  514   2HZ   LYS  61           HZ3      LYS  61 -25.515   2.782  -3.512
  515   3HZ   LYS  61           HZ2      LYS  61 -26.351   3.950  -2.609
  516    HA   PRO  62           HA       PRO  62 -17.734   2.314  -4.860
  517   1HB   PRO  62           HB2      PRO  62 -17.313   3.433  -2.104
  518   2HB   PRO  62           HB1      PRO  62 -16.651   3.997  -3.649
  519   1HG   PRO  62           HG2      PRO  62 -18.863   5.090  -2.548
  520   2HG   PRO  62           HG1      PRO  62 -18.634   4.965  -4.298
  521   1HD   PRO  62           HD2      PRO  62 -20.567   3.601  -2.619
  522   2HD   PRO  62           HD1      PRO  62 -20.446   3.614  -4.389
  523    H    ASN  63           HN       ASN  63 -18.070   0.887  -1.651
  524    HA   ASN  63           HA       ASN  63 -15.400  -0.081  -1.443
  525   1HB   ASN  63           HB2      ASN  63 -16.784  -1.820   0.135
  526   2HB   ASN  63           HB1      ASN  63 -16.207  -0.244   0.654
  527   1HD2  ASN  63          1HD2      ASN  63 -18.104   1.437  -0.431
  528   2HD2  ASN  63          2HD2      ASN  63 -19.649   1.081   0.253
  529    H    TRP  64           HN       TRP  64 -18.424  -1.438  -2.563
  530    HA   TRP  64           HA       TRP  64 -17.055  -3.815  -3.451
  531   1HB   TRP  64           HB2      TRP  64 -19.935  -3.236  -3.983
  532   2HB   TRP  64           HB1      TRP  64 -19.143  -4.794  -3.751
  533    HD1  TRP  64           HD1      TRP  64 -21.125  -2.292  -1.920
  534    HE1  TRP  64           HE1      TRP  64 -21.121  -2.764   0.598
  535    HE3  TRP  64           HE3      TRP  64 -17.379  -5.737  -1.773
  536    HZ2  TRP  64           HZ2      TRP  64 -19.703  -4.392   2.420
  537    HZ3  TRP  64           HZ3      TRP  64 -16.750  -6.701   0.394
  538    HH2  TRP  64           HH2      TRP  64 -17.886  -6.044   2.451
  539    H    GLU  65           HN       GLU  65 -18.069  -0.768  -4.602
  540    HA   GLU  65           HA       GLU  65 -18.273  -1.186  -7.342
  541   1HB   GLU  65           HB2      GLU  65 -18.682   1.015  -7.006
  542   2HB   GLU  65           HB1      GLU  65 -17.618   1.092  -5.606
  543   1HG   GLU  65           HG2      GLU  65 -15.678   1.251  -7.062
  544   2HG   GLU  65           HG1      GLU  65 -16.706   1.128  -8.482
  545    H    HIS  66           HN       HIS  66 -15.412  -0.525  -5.377
  546    HA   HIS  66           HA       HIS  66 -13.751  -1.346  -7.632
  547   1HB   HIS  66           HB2      HIS  66 -11.838  -0.446  -6.264
  548   2HB   HIS  66           HB1      HIS  66 -13.022   0.738  -6.799
  549    HD1  HIS  66           HD1      HIS  66 -13.370   2.436  -5.034
  550    HD2  HIS  66           HD2      HIS  66 -12.759  -1.362  -3.465
  551    HE1  HIS  66           HE1      HIS  66 -13.380   2.736  -2.540
  552    HE2  HIS  66           HE2      HIS  66 -12.812   0.467  -1.612
  553    H    LEU  67           HN       LEU  67 -15.214  -2.849  -5.162
  554    HA   LEU  67           HA       LEU  67 -13.246  -4.419  -3.942
  555   1HB   LEU  67           HB2      LEU  67 -15.493  -4.420  -3.078
  556   2HB   LEU  67           HB1      LEU  67 -16.114  -5.064  -4.587
  557    HG   LEU  67           HG       LEU  67 -14.537  -7.080  -4.050
  558   1HD1  LEU  67          3HD1      LEU  67 -14.971  -5.891  -1.317
  559   2HD1  LEU  67          2HD1      LEU  67 -14.338  -7.504  -1.648
  560   3HD1  LEU  67          1HD1      LEU  67 -13.426  -6.080  -2.149
  561   1HD2  LEU  67          3HD2      LEU  67 -16.957  -7.221  -4.227
  562   2HD2  LEU  67          2HD2      LEU  67 -16.372  -8.180  -2.869
  563   3HD2  LEU  67          1HD2      LEU  67 -17.127  -6.614  -2.580
  564    H    ASN  68           HN       ASN  68 -14.614  -4.513  -7.017
  565    HA   ASN  68           HA       ASN  68 -13.932  -7.285  -7.561
  566   1HB   ASN  68           HB2      ASN  68 -14.935  -6.644  -9.851
  567   2HB   ASN  68           HB1      ASN  68 -16.022  -6.677  -8.461
  568   1HD2  ASN  68          1HD2      ASN  68 -16.685  -4.690  -7.500
  569   2HD2  ASN  68          2HD2      ASN  68 -16.564  -3.208  -8.396
  570    H    GLU  69           HN       GLU  69 -12.345  -4.439  -7.526
  571    HA   GLU  69           HA       GLU  69 -10.534  -5.071  -9.730
  572   1HB   GLU  69           HB2      GLU  69 -10.478  -2.808  -7.712
  573   2HB   GLU  69           HB1      GLU  69  -9.413  -2.968  -9.102
  574   1HG   GLU  69           HG2      GLU  69 -11.370  -2.788 -10.589
  575   2HG   GLU  69           HG1      GLU  69 -12.395  -2.554  -9.172
  576    H    ASP  70           HN       ASP  70  -8.102  -4.941  -9.062
  577    HA   ASP  70           HA       ASP  70  -7.786  -6.648  -6.730
  578   1HB   ASP  70           HB2      ASP  70  -6.593  -7.093  -8.975
  579   2HB   ASP  70           HB1      ASP  70  -5.495  -5.802  -8.479
  580    H    LEU  71           HN       LEU  71  -6.421  -6.201  -5.025
  581    HA   LEU  71           HA       LEU  71  -6.930  -3.751  -3.862
  582   1HB   LEU  71           HB2      LEU  71  -6.408  -5.810  -2.632
  583   2HB   LEU  71           HB1      LEU  71  -4.747  -5.714  -3.180
  584    HG   LEU  71           HG       LEU  71  -4.338  -3.759  -1.858
  585   1HD1  LEU  71          1HD1      LEU  71  -7.282  -3.826  -1.211
  586   2HD1  LEU  71          3HD1      LEU  71  -6.097  -2.759  -0.459
  587   3HD1  LEU  71          2HD1      LEU  71  -6.447  -2.611  -2.182
  588   1HD2  LEU  71          3HD2      LEU  71  -5.901  -5.820  -0.308
  589   2HD2  LEU  71          2HD2      LEU  71  -4.180  -5.875  -0.689
  590   3HD2  LEU  71          1HD2      LEU  71  -4.804  -4.632   0.396
  591    H    HIS  72           HN       HIS  72  -6.179  -1.835  -4.310
  592    HA   HIS  72           HA       HIS  72  -3.311  -1.440  -4.394
  593   1HB   HIS  72           HB2      HIS  72  -3.367  -0.011  -6.360
  594   2HB   HIS  72           HB1      HIS  72  -3.886  -1.638  -6.761
  595    HD1  HIS  72           HD1      HIS  72  -6.479  -1.982  -7.180
  596    HD2  HIS  72           HD2      HIS  72  -5.218   1.976  -6.945
  597    HE1  HIS  72           HE1      HIS  72  -8.322  -0.611  -8.208
  598    HE2  HIS  72           HE2      HIS  72  -7.417   1.730  -8.296
  599    H    VAL  73           HN       VAL  73  -2.811   0.956  -4.243
  600    HA   VAL  73           HA       VAL  73  -4.897   2.196  -2.568
  601    HB   VAL  73           HB       VAL  73  -3.069   3.660  -1.674
  602   1HG1  VAL  73          2HG1      VAL  73  -2.768   0.690  -1.271
  603   2HG1  VAL  73          1HG1      VAL  73  -2.112   1.932  -0.204
  604   3HG1  VAL  73          3HG1      VAL  73  -3.856   1.767  -0.399
  605   1HG2  VAL  73          2HG2      VAL  73  -1.458   3.411  -3.495
  606   2HG2  VAL  73          1HG2      VAL  73  -0.749   2.948  -1.947
  607   3HG2  VAL  73          3HG2      VAL  73  -1.258   1.706  -3.089
  608    H    LEU  74           HN       LEU  74  -5.820   4.018  -3.234
  609    HA   LEU  74           HA       LEU  74  -4.658   5.305  -5.601
  610   1HB   LEU  74           HB2      LEU  74  -6.475   3.778  -6.243
  611   2HB   LEU  74           HB1      LEU  74  -7.568   4.604  -5.160
  612    HG   LEU  74           HG       LEU  74  -6.259   6.058  -7.450
  613   1HD1  LEU  74          3HD1      LEU  74  -7.381   4.075  -8.351
  614   2HD1  LEU  74          2HD1      LEU  74  -8.860   4.540  -7.509
  615   3HD1  LEU  74          1HD1      LEU  74  -8.220   5.563  -8.794
  616   1HD2  LEU  74          2HD2      LEU  74  -7.378   7.399  -5.718
  617   2HD2  LEU  74          1HD2      LEU  74  -8.211   7.497  -7.270
  618   3HD2  LEU  74          3HD2      LEU  74  -8.861   6.483  -5.983
  619    H    ILE  75           HN       ILE  75  -4.104   7.218  -5.116
  620    HA   ILE  75           HA       ILE  75  -5.517   8.760  -3.127
  621    HB   ILE  75           HB       ILE  75  -3.839  10.570  -4.052
  622   1HG1  ILE  75          2HG1      ILE  75  -2.458   8.013  -4.861
  623   2HG1  ILE  75          1HG1      ILE  75  -3.169   9.159  -5.994
  624   1HG2  ILE  75          2HG2      ILE  75  -3.827   9.557  -1.809
  625   2HG2  ILE  75          1HG2      ILE  75  -2.837   8.239  -2.438
  626   3HG2  ILE  75          3HG2      ILE  75  -2.209   9.891  -2.426
  627   1HD1  ILE  75          2HD1      ILE  75  -0.911   9.731  -4.092
  628   2HD1  ILE  75          1HD1      ILE  75  -0.767   9.436  -5.827
  629   3HD1  ILE  75          3HD1      ILE  75  -1.613  10.872  -5.243
  630    H    THR  76           HN       THR  76  -7.368   9.611  -3.652
  631    HA   THR  76           HA       THR  76  -7.824  10.606  -6.388
  632    HB   THR  76           HB       THR  76 -10.083  10.794  -4.580
  633    HG1  THR  76           HG1      THR  76  -9.321   8.994  -3.516
  634   1HG2  THR  76          2HG2      THR  76  -9.564   9.211  -7.084
  635   2HG2  THR  76          1HG2      THR  76 -11.142   9.467  -6.341
  636   3HG2  THR  76          3HG2      THR  76 -10.248  10.835  -6.993
  637    H    VAL  77           HN       VAL  77  -7.102  12.670  -6.515
  638    HA   VAL  77           HA       VAL  77  -7.990  14.528  -4.418
  639    HB   VAL  77           HB       VAL  77  -5.549  14.346  -4.502
  640   1HG1  VAL  77          2HG1      VAL  77  -5.270  13.644  -6.814
  641   2HG1  VAL  77          1HG1      VAL  77  -5.773  15.240  -7.371
  642   3HG1  VAL  77          3HG1      VAL  77  -4.275  15.055  -6.458
  643   1HG2  VAL  77          1HG2      VAL  77  -6.547  16.505  -3.939
  644   2HG2  VAL  77          3HG2      VAL  77  -4.993  16.687  -4.752
  645   3HG2  VAL  77          2HG2      VAL  77  -6.489  16.972  -5.640
  646    H    GLU  78           HN       GLU  78  -9.496  15.946  -5.041
  647    HA   GLU  78           HA       GLU  78 -10.103  16.147  -7.873
  648   1HB   GLU  78           HB2      GLU  78 -11.464  17.389  -5.471
  649   2HB   GLU  78           HB1      GLU  78 -12.064  17.448  -7.125
  650   1HG   GLU  78           HG2      GLU  78 -12.250  14.998  -7.119
  651   2HG   GLU  78           HG1      GLU  78 -11.711  14.980  -5.440
  652    H    ASP  79           HN       ASP  79  -8.338  17.317  -8.635
  653    HA   ASP  79           HA       ASP  79  -8.520  20.002  -9.015
  654   1HB   ASP  79           HB2      ASP  79  -8.011  19.981  -6.424
  655   2HB   ASP  79           HB1      ASP  79  -6.356  19.681  -6.952
  656    H    ALA  80           HN       ALA  80  -6.644  20.849 -10.157
  657    HA   ALA  80           HA       ALA  80  -4.959  18.694 -11.206
  658   1HB   ALA  80           HB1      ALA  80  -6.274  19.976 -12.826
  659   2HB   ALA  80           HB3      ALA  80  -5.456  21.453 -12.314
  660   3HB   ALA  80           HB2      ALA  80  -4.541  20.164 -13.097
  661    H    GLN  81           HN       GLN  81  -4.833  21.128  -8.947
  662    HA   GLN  81           HA       GLN  81  -2.337  22.321  -9.305
  663   1HB   GLN  81           HB2      GLN  81  -3.842  21.642  -6.781
  664   2HB   GLN  81           HB1      GLN  81  -2.358  22.585  -6.791
  665   1HG   GLN  81           HG2      GLN  81  -4.866  23.339  -8.271
  666   2HG   GLN  81           HG1      GLN  81  -4.419  23.947  -6.676
  667   1HE2  GLN  81          1HE2      GLN  81  -2.781  25.430  -6.487
  668   2HE2  GLN  81          2HE2      GLN  81  -2.094  26.256  -7.844
  669    H    ASN  82           HN       ASN  82  -0.353  21.574  -9.296
  670    HA   ASN  82           HA       ASN  82   0.202  18.833  -8.764
  671   1HB   ASN  82           HB2      ASN  82   1.420  20.014 -10.497
  672   2HB   ASN  82           HB1      ASN  82   2.052  21.160  -9.321
  673   1HD2  ASN  82          1HD2      ASN  82   2.099  17.801 -10.334
  674   2HD2  ASN  82          2HD2      ASN  82   3.653  17.424  -9.660
  675    H    ARG  83           HN       ARG  83   0.521  21.789  -6.930
  676    HA   ARG  83           HA       ARG  83   2.123  20.822  -4.835
  677   1HB   ARG  83           HB2      ARG  83   1.017  22.597  -3.456
  678   2HB   ARG  83           HB1      ARG  83   1.702  23.174  -4.969
  679   1HG   ARG  83           HG2      ARG  83  -0.510  23.171  -5.984
  680   2HG   ARG  83           HG1      ARG  83  -1.206  22.572  -4.476
  681   1HD   ARG  83           HD2      ARG  83   0.319  25.155  -4.723
  682   2HD   ARG  83           HD1      ARG  83  -1.435  25.038  -4.842
  683    HE   ARG  83           HE       ARG  83  -0.524  23.831  -2.441
  684   1HH1  ARG  83          1HH1      ARG  83  -0.906  26.982  -3.933
  685   2HH1  ARG  83          2HH1      ARG  83  -1.260  27.795  -2.435
  686   1HH2  ARG  83          1HH2      ARG  83  -0.966  24.899  -0.463
  687   2HH2  ARG  83          2HH2      ARG  83  -1.321  26.602  -0.457
  688    H    ALA  84           HN       ALA  84  -1.328  20.558  -5.480
  689    HA   ALA  84           HA       ALA  84  -2.126  19.407  -3.049
  690   1HB   ALA  84           HB2      ALA  84  -3.252  18.963  -5.817
  691   2HB   ALA  84           HB1      ALA  84  -4.041  18.504  -4.307
  692   3HB   ALA  84           HB3      ALA  84  -3.760  20.208  -4.675
  693    H    GLU  85           HN       GLU  85  -1.423  17.825  -6.162
  694    HA   GLU  85           HA       GLU  85  -1.631  15.221  -5.184
  695   1HB   GLU  85           HB2      GLU  85  -0.614  14.485  -7.242
  696   2HB   GLU  85           HB1      GLU  85  -1.708  15.815  -7.584
  697   1HG   GLU  85           HG2      GLU  85   0.195  17.344  -7.699
  698   2HG   GLU  85           HG1      GLU  85   1.285  15.993  -7.395
  699    H    LEU  86           HN       LEU  86   1.084  17.431  -5.235
  700    HA   LEU  86           HA       LEU  86   3.137  15.642  -4.590
  701   1HB   LEU  86           HB2      LEU  86   3.181  18.169  -5.217
  702   2HB   LEU  86           HB1      LEU  86   2.994  18.439  -3.501
  703    HG   LEU  86           HG       LEU  86   5.336  18.632  -4.294
  704   1HD1  LEU  86          2HD1      LEU  86   4.894  18.086  -1.968
  705   2HD1  LEU  86          1HD1      LEU  86   4.878  16.368  -2.366
  706   3HD1  LEU  86          3HD1      LEU  86   6.364  17.302  -2.544
  707   1HD2  LEU  86          2HD2      LEU  86   5.227  16.907  -6.036
  708   2HD2  LEU  86          1HD2      LEU  86   6.579  16.660  -4.929
  709   3HD2  LEU  86          3HD2      LEU  86   5.130  15.667  -4.784
  710    H    LYS  87           HN       LYS  87   0.726  17.267  -2.567
  711    HA   LYS  87           HA       LYS  87   1.968  16.534  -0.096
  712   1HB   LYS  87           HB2      LYS  87   0.327  18.433  -0.425
  713   2HB   LYS  87           HB1      LYS  87  -0.946  17.223  -0.491
  714   1HG   LYS  87           HG2      LYS  87  -0.316  16.459   1.761
  715   2HG   LYS  87           HG1      LYS  87   0.910  17.723   1.828
  716   1HD   LYS  87           HD2      LYS  87  -2.045  18.223   1.469
  717   2HD   LYS  87           HD1      LYS  87  -1.200  18.300   3.014
  718   1HE   LYS  87           HE2      LYS  87   0.269  20.063   2.048
  719   2HE   LYS  87           HE1      LYS  87  -0.729  20.036   0.594
  720   1HZ   LYS  87           HZ2      LYS  87  -1.705  20.680   3.332
  721   2HZ   LYS  87           HZ1      LYS  87  -1.382  21.811   2.114
  722   3HZ   LYS  87           HZ3      LYS  87  -2.638  20.690   1.915
  723    H    LEU  88           HN       LEU  88  -0.694  15.149  -2.003
  724    HA   LEU  88           HA       LEU  88  -1.181  13.039  -0.148
  725   1HB   LEU  88           HB2      LEU  88  -2.305  11.989  -2.262
  726   2HB   LEU  88           HB1      LEU  88  -3.020  13.337  -1.404
  727    HG   LEU  88           HG       LEU  88  -1.249  14.176  -3.571
  728   1HD1  LEU  88          3HD1      LEU  88  -3.780  12.665  -4.173
  729   2HD1  LEU  88          2HD1      LEU  88  -2.847  13.621  -5.330
  730   3HD1  LEU  88          1HD1      LEU  88  -2.141  12.172  -4.610
  731   1HD2  LEU  88          3HD2      LEU  88  -2.700  15.684  -2.317
  732   2HD2  LEU  88          2HD2      LEU  88  -3.140  15.645  -4.025
  733   3HD2  LEU  88          1HD2      LEU  88  -4.111  14.767  -2.843
  734    H    LYS  89           HN       LYS  89   0.928  13.343  -2.952
  735    HA   LYS  89           HA       LYS  89   1.417  10.558  -3.161
  736   1HB   LYS  89           HB2      LYS  89   3.223  11.094  -4.668
  737   2HB   LYS  89           HB1      LYS  89   1.831  12.091  -5.035
  738   1HG   LYS  89           HG2      LYS  89   3.490  13.628  -5.209
  739   2HG   LYS  89           HG1      LYS  89   3.071  13.824  -3.508
  740   1HD   LYS  89           HD2      LYS  89   5.446  13.743  -3.695
  741   2HD   LYS  89           HD1      LYS  89   4.906  12.244  -2.942
  742   1HE   LYS  89           HE2      LYS  89   6.561  11.663  -4.549
  743   2HE   LYS  89           HE1      LYS  89   5.000  11.175  -5.205
  744   1HZ   LYS  89           HZ3      LYS  89   4.998  13.276  -6.501
  745   2HZ   LYS  89           HZ2      LYS  89   6.574  13.579  -5.951
  746   3HZ   LYS  89           HZ1      LYS  89   6.268  12.226  -6.919
  747    H    ARG  90           HN       ARG  90   2.978  13.095  -1.275
  748    HA   ARG  90           HA       ARG  90   5.133  11.446  -0.407
  749   1HB   ARG  90           HB2      ARG  90   5.457  13.152   1.382
  750   2HB   ARG  90           HB1      ARG  90   5.414  13.824  -0.240
  751   1HG   ARG  90           HG2      ARG  90   3.180  14.615   0.080
  752   2HG   ARG  90           HG1      ARG  90   3.076  13.808   1.645
  753   1HD   ARG  90           HD2      ARG  90   5.162  15.887   1.067
  754   2HD   ARG  90           HD1      ARG  90   3.544  16.320   1.621
  755    HE   ARG  90           HE       ARG  90   4.008  14.965   3.628
  756   1HH1  ARG  90          1HH1      ARG  90   6.744  16.012   1.686
  757   2HH1  ARG  90          2HH1      ARG  90   7.832  16.061   3.033
  758   1HH2  ARG  90          1HH2      ARG  90   5.447  15.031   5.391
  759   2HH2  ARG  90          2HH2      ARG  90   7.102  15.507   5.136
  760    H    ALA  91           HN       ALA  91   1.915  12.142   0.859
  761    HA   ALA  91           HA       ALA  91   2.273  10.602   3.213
  762   1HB   ALA  91           HB3      ALA  91  -0.306  11.265   1.802
  763   2HB   ALA  91           HB2      ALA  91  -0.132  10.739   3.476
  764   3HB   ALA  91           HB1      ALA  91   0.506  12.306   2.973
  765    H    VAL  92           HN       VAL  92   1.054   9.873   0.012
  766    HA   VAL  92           HA       VAL  92   0.105   7.278   0.672
  767    HB   VAL  92           HB       VAL  92  -0.598   8.767  -1.296
  768   1HG1  VAL  92          1HG1      VAL  92   1.890   8.941  -2.001
  769   2HG1  VAL  92          3HG1      VAL  92   1.603   7.379  -2.779
  770   3HG1  VAL  92          2HG1      VAL  92   0.646   8.784  -3.256
  771   1HG2  VAL  92          2HG2      VAL  92   0.020   5.849  -1.774
  772   2HG2  VAL  92          1HG2      VAL  92  -1.420   6.496  -0.985
  773   3HG2  VAL  92          3HG2      VAL  92  -1.131   6.819  -2.694
  774    H    GLU  93           HN       GLU  93   3.145   8.562  -0.509
  775    HA   GLU  93           HA       GLU  93   4.317   6.085  -1.196
  776   1HB   GLU  93           HB2      GLU  93   6.344   7.306  -1.278
  777   2HB   GLU  93           HB1      GLU  93   5.061   8.314  -1.905
  778   1HG   GLU  93           HG2      GLU  93   4.922   9.492   0.107
  779   2HG   GLU  93           HG1      GLU  93   6.158   8.452   0.834
  780    H    GLU  94           HN       GLU  94   4.211   7.945   1.749
  781    HA   GLU  94           HA       GLU  94   5.713   6.210   3.357
  782   1HB   GLU  94           HB2      GLU  94   3.257   7.824   4.056
  783   2HB   GLU  94           HB1      GLU  94   4.177   6.916   5.249
  784   1HG   GLU  94           HG2      GLU  94   6.199   8.230   4.519
  785   2HG   GLU  94           HG1      GLU  94   5.094   9.252   3.601
  786    H    VAL  95           HN       VAL  95   2.306   5.985   2.341
  787    HA   VAL  95           HA       VAL  95   1.862   3.403   3.418
  788    HB   VAL  95           HB       VAL  95   0.653   4.624   0.926
  789   1HG1  VAL  95          3HG1      VAL  95   0.528   2.152   0.927
  790   2HG1  VAL  95          2HG1      VAL  95  -0.252   2.207   2.506
  791   3HG1  VAL  95          1HG1      VAL  95  -1.063   2.899   1.101
  792   1HG2  VAL  95          2HG2      VAL  95  -0.358   4.445   3.765
  793   2HG2  VAL  95          1HG2      VAL  95   0.136   5.907   2.912
  794   3HG2  VAL  95          3HG2      VAL  95  -1.299   5.024   2.391
  795    H    LYS  96           HN       LYS  96   3.337   4.530   0.408
  796    HA   LYS  96           HA       LYS  96   3.713   2.116  -0.865
  797   1HB   LYS  96           HB2      LYS  96   5.532   4.496  -0.815
  798   2HB   LYS  96           HB1      LYS  96   5.841   3.087  -1.816
  799   1HG   LYS  96           HG2      LYS  96   3.696   3.452  -2.958
  800   2HG   LYS  96           HG1      LYS  96   3.445   4.904  -1.983
  801   1HD   LYS  96           HD2      LYS  96   5.571   5.813  -2.884
  802   2HD   LYS  96           HD1      LYS  96   5.693   4.400  -3.932
  803   1HE   LYS  96           HE2      LYS  96   3.580   5.014  -4.999
  804   2HE   LYS  96           HE1      LYS  96   3.452   6.417  -3.940
  805   1HZ   LYS  96           HZ2      LYS  96   5.522   7.264  -4.911
  806   2HZ   LYS  96           HZ1      LYS  96   5.573   5.932  -5.964
  807   3HZ   LYS  96           HZ3      LYS  96   4.313   7.063  -6.083
  808    H    LYS  97           HN       LYS  97   5.334   3.351   1.938
  809    HA   LYS  97           HA       LYS  97   7.478   1.445   1.853
  810   1HB   LYS  97           HB2      LYS  97   7.564   3.743   2.946
  811   2HB   LYS  97           HB1      LYS  97   6.576   3.071   4.233
  812   1HG   LYS  97           HG2      LYS  97   9.175   1.792   3.473
  813   2HG   LYS  97           HG1      LYS  97   9.129   3.189   4.547
  814   1HD   LYS  97           HD2      LYS  97   7.722   1.984   6.107
  815   2HD   LYS  97           HD1      LYS  97   7.636   0.607   5.009
  816   1HE   LYS  97           HE2      LYS  97  10.172   1.665   6.250
  817   2HE   LYS  97           HE1      LYS  97   9.248   0.299   6.873
  818   1HZ   LYS  97           HZ3      LYS  97  10.461   0.426   4.159
  819   2HZ   LYS  97           HZ2      LYS  97  11.147  -0.377   5.486
  820   3HZ   LYS  97           HZ1      LYS  97   9.670  -0.905   4.849
  821    H    LEU  98           HN       LEU  98   4.359   1.769   3.513
  822    HA   LEU  98           HA       LEU  98   4.854  -0.628   5.031
  823   1HB   LEU  98           HB2      LEU  98   2.423  -0.310   5.746
  824   2HB   LEU  98           HB1      LEU  98   3.629   0.844   6.283
  825    HG   LEU  98           HG       LEU  98   2.737   2.118   4.097
  826   1HD1  LEU  98          2HD1      LEU  98   1.128   0.378   3.552
  827   2HD1  LEU  98          1HD1      LEU  98   0.385   0.553   5.142
  828   3HD1  LEU  98          3HD1      LEU  98   0.312   1.880   3.983
  829   1HD2  LEU  98          2HD2      LEU  98   1.469   2.146   6.833
  830   2HD2  LEU  98          1HD2      LEU  98   2.885   3.067   6.326
  831   3HD2  LEU  98          3HD2      LEU  98   1.307   3.415   5.618
  832    H    LEU  99           HN       LEU  99   3.186   0.127   2.077
  833    HA   LEU  99           HA       LEU  99   1.594  -2.232   2.071
  834   1HB   LEU  99           HB2      LEU  99   1.219  -1.778  -0.341
  835   2HB   LEU  99           HB1      LEU  99   0.774  -0.489   0.751
  836    HG   LEU  99           HG       LEU  99   2.903   0.672   0.147
  837   1HD1  LEU  99          2HD1      LEU  99   4.151  -1.250  -0.710
  838   2HD1  LEU  99          1HD1      LEU  99   3.008  -1.392  -2.047
  839   3HD1  LEU  99          3HD1      LEU  99   4.033   0.037  -1.911
  840   1HD2  LEU  99          2HD2      LEU  99   0.939   0.103  -2.061
  841   2HD2  LEU  99          1HD2      LEU  99   0.775   1.326  -0.802
  842   3HD2  LEU  99          3HD2      LEU  99   2.052   1.470  -2.009
  843    H    VAL 100           HN       VAL 100   4.632  -2.411   2.333
  844    HA   VAL 100           HA       VAL 100   5.214  -4.279   0.163
  845    HB   VAL 100           HB       VAL 100   6.982  -3.263   2.408
  846   1HG1  VAL 100          1HG1      VAL 100   7.694  -4.889  -0.032
  847   2HG1  VAL 100          3HG1      VAL 100   8.844  -4.208   1.119
  848   3HG1  VAL 100          2HG1      VAL 100   7.708  -5.451   1.640
  849   1HG2  VAL 100          1HG2      VAL 100   6.873  -2.482  -0.503
  850   2HG2  VAL 100          3HG2      VAL 100   6.385  -1.486   0.868
  851   3HG2  VAL 100          2HG2      VAL 100   8.079  -1.931   0.659
  852    HA   PRO 101           HA       PRO 101   3.982  -7.852   2.575
  853   1HB   PRO 101           HB2      PRO 101   5.847  -9.586   1.451
  854   2HB   PRO 101           HB1      PRO 101   4.249  -9.232   0.785
  855   1HG   PRO 101           HG2      PRO 101   6.907  -8.062   0.066
  856   2HG   PRO 101           HG1      PRO 101   5.566  -8.535  -0.994
  857   1HD   PRO 101           HD2      PRO 101   5.989  -5.975  -0.417
  858   2HD   PRO 101           HD1      PRO 101   4.331  -6.619  -0.485
  859    H    ALA 102           HN       ALA 102   7.251  -6.707   2.348
  860    HA   ALA 102           HA       ALA 102   8.893  -6.487   3.879
  861   1HB   ALA 102           HB2      ALA 102   7.086  -5.620   5.292
  862   2HB   ALA 102           HB3      ALA 102   8.306  -6.473   6.239
  863   3HB   ALA 102           HB1      ALA 102   6.767  -7.253   5.873
  864    H    ALA 103           HN       ALA 103   9.476  -7.887   6.215
  865    HA   ALA 103           HA       ALA 103  10.436  -9.766   7.036
  866   1HB   ALA 103           HB1      ALA 103   8.541 -11.214   5.189
  867   2HB   ALA 103           HB3      ALA 103   9.435 -11.928   6.531
  868   3HB   ALA 103           HB2      ALA 103   8.191 -10.717   6.845
  869    H    GLU 104           HN       GLU 104  11.483  -8.434   4.602
  870    HA   GLU 104           HA       GLU 104  12.611 -10.543   2.993
  871   1HB   GLU 104           HB2      GLU 104  12.124  -8.362   1.983
  872   2HB   GLU 104           HB1      GLU 104  13.246  -7.587   3.092
  873   1HG   GLU 104           HG2      GLU 104  15.095  -8.836   2.112
  874   2HG   GLU 104           HG1      GLU 104  13.977  -9.620   0.998
  875    H    GLY 105           HN       GLY 105  13.642  -8.460   5.601
  876   1HA   GLY 105           HA1      GLY 105  15.921 -10.175   6.133
  877   2HA   GLY 105           HA2      GLY 105  15.402  -8.794   7.097
  878    H    GLU 106           HN       GLU 106  15.416  -6.733   5.449
  879    HA   GLU 106           HA       GLU 106  17.446  -6.496   3.532
  880   1HB   GLU 106           HB2      GLU 106  16.318  -4.346   5.333
  881   2HB   GLU 106           HB1      GLU 106  17.191  -4.081   3.831
  882   1HG   GLU 106           HG2      GLU 106  15.425  -5.053   2.554
  883   2HG   GLU 106           HG1      GLU 106  14.578  -5.556   4.018
  884    H    ASP 107           HN       ASP 107  17.397  -5.620   6.949
  885    HA   ASP 107           HA       ASP 107  20.087  -4.706   6.994
  886   1HB   ASP 107           HB2      ASP 107  19.741  -4.644   9.482
  887   2HB   ASP 107           HB1      ASP 107  18.542  -3.742   8.560
  888    H    SER 108           HN       SER 108  18.628  -7.747   7.296
  889    HA   SER 108           HA       SER 108  20.660  -8.977   8.855
  890   1HB   SER 108           HB2      SER 108  18.447 -10.036   7.126
  891   2HB   SER 108           HB1      SER 108  19.503 -11.077   8.087
  892    HG   SER 108           HG       SER 108  18.794  -9.897   9.948
  893    H    LEU 109           HN       LEU 109  20.358  -8.181   5.525
  894    HA   LEU 109           HA       LEU 109  21.639 -10.336   4.310
  895   1HB   LEU 109           HB2      LEU 109  21.599  -7.441   3.462
  896   2HB   LEU 109           HB1      LEU 109  22.097  -8.779   2.442
  897    HG   LEU 109           HG       LEU 109  19.328  -8.347   3.571
  898   1HD1  LEU 109          1HD1      LEU 109  20.387  -8.147   0.755
  899   2HD1  LEU 109          3HD1      LEU 109  18.696  -7.995   1.236
  900   3HD1  LEU 109          2HD1      LEU 109  19.878  -6.802   1.775
  901   1HD2  LEU 109          2HD2      LEU 109  20.378 -10.507   1.746
  902   2HD2  LEU 109          1HD2      LEU 109  19.862 -10.718   3.419
  903   3HD2  LEU 109          3HD2      LEU 109  18.687 -10.260   2.185
  904    H    LYS 110           HN       LYS 110  23.079  -7.205   5.282
  905    HA   LYS 110           HA       LYS 110  25.720  -8.260   4.725
  906   1HB   LYS 110           HB2      LYS 110  24.876  -5.585   5.852
  907   2HB   LYS 110           HB1      LYS 110  26.519  -6.020   5.394
  908   1HG   LYS 110           HG2      LYS 110  25.757  -6.364   3.080
  909   2HG   LYS 110           HG1      LYS 110  24.141  -5.846   3.559
  910   1HD   LYS 110           HD2      LYS 110  25.068  -3.669   4.245
  911   2HD   LYS 110           HD1      LYS 110  26.661  -4.193   3.691
  912   1HE   LYS 110           HE2      LYS 110  25.748  -4.489   1.425
  913   2HE   LYS 110           HE1      LYS 110  24.185  -3.908   1.992
  914   1HZ   LYS 110           HZ1      LYS 110  25.264  -1.796   2.576
  915   2HZ   LYS 110           HZ3      LYS 110  26.724  -2.364   1.919
  916   3HZ   LYS 110           HZ2      LYS 110  25.370  -2.139   0.918
  917    H    LYS 111           HN       LYS 111  23.757  -7.507   7.550
  918    HA   LYS 111           HA       LYS 111  25.819  -7.685   9.462
  919   1HB   LYS 111           HB2      LYS 111  22.853  -8.177   9.741
  920   2HB   LYS 111           HB1      LYS 111  23.969  -8.126  11.098
  921   1HG   LYS 111           HG2      LYS 111  24.516  -5.817  10.598
  922   2HG   LYS 111           HG1      LYS 111  23.471  -5.861   9.176
  923   1HD   LYS 111           HD2      LYS 111  22.245  -4.795  10.919
  924   2HD   LYS 111           HD1      LYS 111  21.563  -6.408  10.711
  925   1HE   LYS 111           HE2      LYS 111  21.725  -6.110  13.031
  926   2HE   LYS 111           HE1      LYS 111  23.100  -7.126  12.609
  927   1HZ   LYS 111           HZ1      LYS 111  24.480  -5.088  12.580
  928   2HZ   LYS 111           HZ3      LYS 111  23.143  -4.208  13.150
  929   3HZ   LYS 111           HZ2      LYS 111  23.826  -5.432  14.107
  930    H    MET 112           HN       MET 112  23.746 -10.138   8.005
  931    HA   MET 112           HA       MET 112  24.686 -12.213   9.747
  932   1HB   MET 112           HB2      MET 112  23.018 -12.235   7.247
  933   2HB   MET 112           HB1      MET 112  23.581 -13.728   7.988
  934   1HG   MET 112           HG2      MET 112  22.432 -13.170  10.046
  935   2HG   MET 112           HG1      MET 112  21.920 -11.629   9.365
  936   1HE   MET 112           HE2      MET 112  22.126 -15.095   7.551
  937   2HE   MET 112           HE1      MET 112  21.571 -15.542   9.165
  938   3HE   MET 112           HE3      MET 112  20.494 -15.722   7.779
  939    H    LYS 113           HN       LYS 113  25.634 -10.966   6.620
  940    HA   LYS 113           HA       LYS 113  27.327 -13.174   5.964
  941   1HB   LYS 113           HB2      LYS 113  26.342 -11.147   4.518
  942   2HB   LYS 113           HB1      LYS 113  27.903 -10.444   4.906
  943   1HG   LYS 113           HG2      LYS 113  27.660 -13.168   3.666
  944   2HG   LYS 113           HG1      LYS 113  27.665 -11.700   2.697
  945   1HD   LYS 113           HD2      LYS 113  29.888 -12.090   2.631
  946   2HD   LYS 113           HD1      LYS 113  29.865 -11.278   4.194
  947   1HE   LYS 113           HE2      LYS 113  29.885 -13.347   5.368
  948   2HE   LYS 113           HE1      LYS 113  29.610 -14.261   3.879
  949   1HZ   LYS 113           HZ1      LYS 113  31.803 -13.367   3.105
  950   2HZ   LYS 113           HZ3      LYS 113  32.056 -12.783   4.680
  951   3HZ   LYS 113           HZ2      LYS 113  31.891 -14.448   4.407
  952    H    LEU 114           HN       LEU 114  27.768 -10.134   7.700
  953    HA   LEU 114           HA       LEU 114  30.609 -10.677   7.877
  954   1HB   LEU 114           HB2      LEU 114  28.995  -8.288   8.757
  955   2HB   LEU 114           HB1      LEU 114  30.729  -8.431   8.969
  956    HG   LEU 114           HG       LEU 114  29.278  -8.379   6.321
  957   1HD1  LEU 114          1HD1      LEU 114  31.018  -6.320   7.669
  958   2HD1  LEU 114          3HD1      LEU 114  30.352  -6.200   6.041
  959   3HD1  LEU 114          2HD1      LEU 114  29.272  -6.216   7.435
  960   1HD2  LEU 114          2HD2      LEU 114  32.231  -8.456   6.937
  961   2HD2  LEU 114          1HD2      LEU 114  31.283  -9.764   6.227
  962   3HD2  LEU 114          3HD2      LEU 114  31.515  -8.258   5.338
  963    H    MET 115           HN       MET 115  28.071  -9.747  10.226
  964    HA   MET 115           HA       MET 115  29.831 -10.514  12.388
  965   1HB   MET 115           HB2      MET 115  28.526  -8.470  12.587
  966   2HB   MET 115           HB1      MET 115  27.032  -9.382  12.408
  967   1HG   MET 115           HG2      MET 115  27.499 -10.556  14.500
  968   2HG   MET 115           HG1      MET 115  28.989  -9.635  14.682
  969   1HE   MET 115           HE2      MET 115  25.510  -8.350  13.337
  970   2HE   MET 115           HE1      MET 115  25.063  -9.476  14.617
  971   3HE   MET 115           HE3      MET 115  24.773  -7.749  14.824
  972    H    GLU 116           HN       GLU 116  26.589 -11.472  11.268
  973    HA   GLU 116           HA       GLU 116  26.198 -13.429  13.265
  974   1HB   GLU 116           HB2      GLU 116  24.914 -13.236  10.546
  975   2HB   GLU 116           HB1      GLU 116  24.319 -14.188  11.894
  976   1HG   GLU 116           HG2      GLU 116  24.600 -11.197  11.944
  977   2HG   GLU 116           HG1      GLU 116  23.116 -12.047  11.520
  978    H    LEU 117           HN       LEU 117  28.026 -13.436  10.422
  979    HA   LEU 117           HA       LEU 117  27.872 -16.176   9.700
  980   1HB   LEU 117           HB2      LEU 117  28.744 -14.023   8.435
  981   2HB   LEU 117           HB1      LEU 117  30.277 -14.493   9.134
  982    HG   LEU 117           HG       LEU 117  29.878 -15.245   6.766
  983   1HD1  LEU 117          1HD1      LEU 117  30.379 -17.391   8.828
  984   2HD1  LEU 117          3HD1      LEU 117  30.776 -17.502   7.113
  985   3HD1  LEU 117          2HD1      LEU 117  31.581 -16.305   8.128
  986   1HD2  LEU 117          1HD2      LEU 117  27.522 -15.810   6.979
  987   2HD2  LEU 117          3HD2      LEU 117  28.454 -17.199   6.421
  988   3HD2  LEU 117          2HD2      LEU 117  27.920 -17.113   8.099
  989    H    ALA 118           HN       ALA 118  29.829 -14.326  11.908
  990    HA   ALA 118           HA       ALA 118  31.220 -14.894  13.596
  991   1HB   ALA 118           HB2      ALA 118  30.583 -17.770  12.932
  992   2HB   ALA 118           HB1      ALA 118  31.451 -17.202  14.358
  993   3HB   ALA 118           HB3      ALA 118  29.754 -16.778  14.130
  994    H    ILE 119           HN       ILE 119  32.808 -13.936  12.415
  995    HA   ILE 119           HA       ILE 119  34.273 -15.358  10.399
  996    HB   ILE 119           HB       ILE 119  35.679 -13.333  10.319
  997   1HG1  ILE 119          2HG1      ILE 119  33.839 -12.315  12.494
  998   2HG1  ILE 119          1HG1      ILE 119  35.533 -12.737  12.719
  999   1HG2  ILE 119          1HG2      ILE 119  33.668 -13.513   8.965
 1000   2HG2  ILE 119          3HG2      ILE 119  32.713 -12.819  10.277
 1001   3HG2  ILE 119          2HG2      ILE 119  33.940 -11.845   9.466
 1002   1HD1  ILE 119          3HD1      ILE 119  36.171 -10.951  11.169
 1003   2HD1  ILE 119          2HD1      ILE 119  34.471 -10.521  10.978
 1004   3HD1  ILE 119          1HD1      ILE 119  35.257 -10.338  12.546
 1005    H    LEU 120           HN       LEU 120  36.899 -14.547  10.844
 1006    HA   LEU 120           HA       LEU 120  37.803 -16.732  12.307
 1007   1HB   LEU 120           HB2      LEU 120  40.020 -16.005  11.883
 1008   2HB   LEU 120           HB1      LEU 120  39.052 -15.651  10.474
 1009    HG   LEU 120           HG       LEU 120  40.563 -13.873  10.709
 1010   1HD1  LEU 120          1HD1      LEU 120  37.938 -12.941  11.833
 1011   2HD1  LEU 120          3HD1      LEU 120  39.180 -11.903  11.132
 1012   3HD1  LEU 120          2HD1      LEU 120  38.362 -13.101  10.129
 1013   1HD2  LEU 120          1HD2      LEU 120  41.294 -14.252  12.980
 1014   2HD2  LEU 120          3HD2      LEU 120  40.874 -12.555  12.735
 1015   3HD2  LEU 120          2HD2      LEU 120  39.766 -13.621  13.598
 1016    H    ASN 121           HN       ASN 121  38.935 -16.935  14.214
 1017    HA   ASN 121           HA       ASN 121  39.251 -14.924  16.154
 1018   1HB   ASN 121           HB2      ASN 121  37.488 -15.557  17.743
 1019   2HB   ASN 121           HB1      ASN 121  36.778 -14.988  16.240
 1020   1HD2  ASN 121          1HD2      ASN 121  35.673 -16.443  14.921
 1021   2HD2  ASN 121          2HD2      ASN 121  35.166 -17.991  15.505
 1022    H    GLY 122           HN       GLY 122  38.790 -16.714  18.431
 1023   1HA   GLY 122           HA1      GLY 122  39.826 -18.427  19.551
 1024   2HA   GLY 122           HA2      GLY 122  41.182 -18.156  18.468
 1025    H    THR 123           HN       THR 123  37.922 -19.203  17.600
 1026    HA   THR 123           HA       THR 123  38.557 -21.947  17.251
 1027    HB   THR 123           HB       THR 123  36.363 -20.389  15.876
 1028    HG1  THR 123           HG1      THR 123  35.127 -20.737  17.682
 1029   1HG2  THR 123          3HG2      THR 123  36.594 -23.307  16.627
 1030   2HG2  THR 123          2HG2      THR 123  35.188 -22.546  15.885
 1031   3HG2  THR 123          1HG2      THR 123  36.710 -22.642  14.999
 1032    H    TYR 124           HN       TYR 124  37.850 -19.450  14.809
 1033    HA   TYR 124           HA       TYR 124  39.066 -21.090  12.747
 1034   1HB   TYR 124           HB2      TYR 124  37.861 -18.333  12.470
 1035   2HB   TYR 124           HB1      TYR 124  38.176 -19.494  11.183
 1036    HD1  TYR 124           HD1      TYR 124  35.800 -18.294  13.549
 1037    HD2  TYR 124           HD2      TYR 124  36.865 -21.707  11.250
 1038    HE1  TYR 124           HE1      TYR 124  33.527 -19.181  13.832
 1039    HE2  TYR 124           HE2      TYR 124  34.593 -22.605  11.520
 1040    HH   TYR 124           HH       TYR 124  32.002 -20.797  12.508
 1041    H    ARG 125           HN       ARG 125  41.176 -20.919  13.832
 1042    HA   ARG 125           HA       ARG 125  42.588 -18.434  13.597
 1043   1HB   ARG 125           HB2      ARG 125  44.575 -19.847  14.235
 1044   2HB   ARG 125           HB1      ARG 125  43.253 -19.850  15.392
 1045   1HG   ARG 125           HG2      ARG 125  43.726 -22.072  15.351
 1046   2HG   ARG 125           HG1      ARG 125  42.542 -22.008  14.046
 1047   1HD   ARG 125           HD2      ARG 125  44.366 -23.314  13.269
 1048   2HD   ARG 125           HD1      ARG 125  44.463 -21.755  12.450
 1049    HE   ARG 125           HE       ARG 125  46.051 -21.437  14.632
 1050   1HH1  ARG 125          1HH1      ARG 125  45.927 -23.744  11.995
 1051   2HH1  ARG 125          2HH1      ARG 125  47.627 -24.120  12.081
 1052   1HH2  ARG 125          1HH2      ARG 125  48.267 -21.941  14.772
 1053   2HH2  ARG 125          2HH2      ARG 125  48.962 -23.098  13.673
 1054    H    ASP 126           HN       ASP 126  41.699 -20.874  11.514
 1055    HA   ASP 126           HA       ASP 126  43.873 -20.930   9.699
 1056   1HB   ASP 126           HB2      ASP 126  42.193 -22.670   9.682
 1057   2HB   ASP 126           HB1      ASP 126  40.926 -21.490   9.364
 1058    H    ALA 127           HN       ALA 127  40.747 -19.243   9.550
 1059    HA   ALA 127           HA       ALA 127  41.453 -17.757   7.222
 1060   1HB   ALA 127           HB3      ALA 127  39.129 -17.401   9.109
 1061   2HB   ALA 127           HB2      ALA 127  39.284 -16.676   7.509
 1062   3HB   ALA 127           HB1      ALA 127  39.146 -18.426   7.674
 1063    H    ASN 128           HN       ASN 128  42.534 -17.448  10.259
 1064    HA   ASN 128           HA       ASN 128  42.360 -14.659  10.751
 1065   1HB   ASN 128           HB2      ASN 128  42.930 -16.359  12.471
 1066   2HB   ASN 128           HB1      ASN 128  44.470 -16.630  11.669
 1067   1HD2  ASN 128          1HD2      ASN 128  43.944 -15.809  14.372
 1068   2HD2  ASN 128          2HD2      ASN 128  44.723 -14.278  14.587
 1069    H    LEU 129           HN       LEU 129  44.766 -16.732   9.181
 1070    HA   LEU 129           HA       LEU 129  46.295 -14.394   8.350
 1071   1HB   LEU 129           HB2      LEU 129  46.741 -17.341   7.867
 1072   2HB   LEU 129           HB1      LEU 129  47.784 -16.078   7.245
 1073    HG   LEU 129           HG       LEU 129  47.316 -16.734  10.152
 1074   1HD1  LEU 129          1HD1      LEU 129  48.718 -18.355   8.993
 1075   2HD1  LEU 129          3HD1      LEU 129  49.743 -17.049   8.395
 1076   3HD1  LEU 129          2HD1      LEU 129  49.667 -17.389  10.123
 1077   1HD2  LEU 129          3HD2      LEU 129  47.629 -14.334   9.828
 1078   2HD2  LEU 129          2HD2      LEU 129  49.032 -15.059  10.613
 1079   3HD2  LEU 129          1HD2      LEU 129  49.094 -14.647   8.899
 1080    H    LYS 130           HN       LYS 130  44.957 -13.339   6.956
 1081    HA   LYS 130           HA       LYS 130  43.485 -14.681   4.939
 1082   1HB   LYS 130           HB2      LYS 130  43.004 -12.379   4.087
 1083   2HB   LYS 130           HB1      LYS 130  42.579 -12.644   5.771
 1084   1HG   LYS 130           HG2      LYS 130  44.473 -11.406   6.521
 1085   2HG   LYS 130           HG1      LYS 130  45.125 -11.311   4.883
 1086   1HD   LYS 130           HD2      LYS 130  43.242  -9.954   4.184
 1087   2HD   LYS 130           HD1      LYS 130  42.508 -10.106   5.781
 1088   1HE   LYS 130           HE2      LYS 130  45.178  -8.821   5.221
 1089   2HE   LYS 130           HE1      LYS 130  43.665  -7.943   5.423
 1090   1HZ   LYS 130           HZ1      LYS 130  43.530  -9.083   7.667
 1091   2HZ   LYS 130           HZ3      LYS 130  45.165  -9.496   7.451
 1092   3HZ   LYS 130           HZ2      LYS 130  44.696  -7.866   7.496
 1093    H    SER 131           HN       SER 131  44.458 -15.680   3.345
 1094    HA   SER 131           HA       SER 131  46.472 -14.192   1.813
 1095   1HB   SER 131           HB2      SER 131  47.030 -16.493   0.864
 1096   2HB   SER 131           HB1      SER 131  47.457 -16.230   2.552
 1097    HG   SER 131           HG       SER 131  46.411 -18.249   2.202
 1098    HA   PRO 132           HA       PRO 132  43.254 -13.567  -1.150
 1099   1HB   PRO 132           HB2      PRO 132  44.876 -12.963  -3.286
 1100   2HB   PRO 132           HB1      PRO 132  44.429 -11.821  -2.015
 1101   1HG   PRO 132           HG2      PRO 132  46.930 -13.431  -2.323
 1102   2HG   PRO 132           HG1      PRO 132  46.736 -11.746  -1.805
 1103   1HD   PRO 132           HD2      PRO 132  47.180 -13.720  -0.040
 1104   2HD   PRO 132           HD1      PRO 132  46.123 -12.346   0.345
 1105    H    ALA 133           HN       ALA 133  45.800 -15.868  -1.560
 1106    HA   ALA 133           HA       ALA 133  44.134 -17.323  -3.492
 1107   1HB   ALA 133           HB2      ALA 133  47.140 -17.273  -3.389
 1108   2HB   ALA 133           HB1      ALA 133  46.159 -18.223  -4.504
 1109   3HB   ALA 133           HB3      ALA 133  46.135 -16.461  -4.591
 1110    H    LEU 134           HN       LEU 134  47.010 -18.047  -1.643
 1111    HA   LEU 134           HA       LEU 134  45.673 -19.738   0.218
 1112   1HB   LEU 134           HB2      LEU 134  46.927 -21.813  -0.461
 1113   2HB   LEU 134           HB1      LEU 134  45.604 -21.347  -1.509
 1114    HG   LEU 134           HG       LEU 134  47.872 -20.137  -2.622
 1115   1HD1  LEU 134          3HD1      LEU 134  48.441 -22.987  -1.822
 1116   2HD1  LEU 134          2HD1      LEU 134  49.393 -22.024  -2.953
 1117   3HD1  LEU 134          1HD1      LEU 134  49.296 -21.553  -1.256
 1118   1HD2  LEU 134          1HD2      LEU 134  45.955 -21.035  -3.834
 1119   2HD2  LEU 134          3HD2      LEU 134  47.465 -21.706  -4.450
 1120   3HD2  LEU 134          2HD2      LEU 134  46.436 -22.675  -3.395

  No H/Q in entry =        1120